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values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2c02307a4f9df4e5d3e959d2ee9bd9abda34f4fa0a71dc96ff71204067dae528 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,815 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dF', 'pentyl_Gly', 'dL', 'Nle', 'dP', 'Mono34'] | 49 | 1816 | -5.03 | -5.03 | Circle | 7 | -3.27e-16 | -2.701600681 | -2.39e-16 | -2.868821018 | -1.59e-16 | -1.137423017 | 6.36e-16 | -0.249292216 | 3.598418576 | 4165.358764 | 136.0 | null | null | 97.59941163 | 92.04101961 | 26.04101961 | 51.4088127 | 46.07873591 | 13.23709513 | 8.409248649 | 8.409248649 | 4.941469465 | 4.941469465 | 3.029699348 | 3.029699348 | null | null | null | null | 288.1501485 | 22.01430394 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 68.57901133 | 754.4992985 | 0.87037037 | 1.555555556 | 2.259259259 | 0.707317073 | 136.0 | PEPTIDE1816{[dF].[pentyl_Gly].[dL].[Nle].[dP].[Mono34]}$PEPTIDE1816,PEPTIDE1816,1:R1-6:R2$$$ | PEPTIDE1816{<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/pentyl_Gly/">[pentyl_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono34/">[Mono34]</a>}$PEPTIDE1816,PEPTIDE1816,1:R1-6:R2$$$ | -4.0 | 54 | 688.486 | 1816 | null | null | 4.8200000000000004e+38 | 8.621804079 | 23.04 | 14.33639805 | 415.1067031 | null | 16.60057043 | 0.378727819 | 16.60057043 | 0.245461041 | 1.834601926 | 0.245461041 | -6.925259811 | -0.378727819 | 3.5869 | 208.0431 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | 2.8-13H | -5.03 | 3.612733778 | -0.039806508 | 35.36603221 | 24.07156987 | 4.235526235 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 83.11136161 | 63.39874282 | 96.84814134 | 41.00587429 | null | -5.03 | null | null | null | null | null | null | null | null | 33.3 | null | 3 | CCCCCN1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CCCOC(C)C)CC(=O)N[C@H](Cc2ccccc2)C1=O | 124.0974013 | 35.44307838 | 0.0 | 30.62916925 | 5.893957685 | 141.3651145 | 39.04328366 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['dF', 'pentyl_Gly', 'dL', 'Nle', 'dP', 'Mono34'] | [1.0159999999999998, 1.3073, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.9322] | [29.1, 20.31, 29.1, 29.1, 20.31, 29.54] | 15.92944006 | 0.0 | 0.0 | 0.0 | 119.3376791 | 39.87701096 | 5.893957685 | 196.7618422 | 30.21209354 | 4.235526235 | 0.0 | 0 | 2016_Furukawa | 1816 | null | 157.46 | 67.87 | 576.2427231 | 0.0 | 89.85078534 | -8.045640436 | -2.775845597 | -33.19591948 | -38.09802461 | -71.11038161 | -69.11769673 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.217955397 | null |
c260fdc13be2a47006eeae077e44fee6c22d64864497761cf38ec5225a89feca | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,816 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dF', 'cHexCH2_Gly', 'dL', 'Nle', 'dP', 'Mono34'] | 50 | 1817 | -5.16 | -5.16 | Circle | 8 | -2.98e-16 | -2.81858796 | -2.3e-16 | -2.874600423 | -2.05e-16 | -1.169202704 | 1.74e-16 | -0.249290807 | 2.99233693 | 4367.979503 | 133.0 | null | null | 100.5994116 | 95.04101961 | 27.04101961 | 53.1588127 | 47.82873591 | 13.98709513 | 9.034248649 | 9.034248649 | 5.372371164 | 5.372371164 | 3.332301897 | 3.332301897 | null | null | null | null | 299.9380639 | 30.2799388 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 63.05489358 | 780.5149485 | 0.875 | 1.607142857 | 2.321428571 | 0.720930233 | 131.0 | PEPTIDE1817{[dF].[cHexCH2_Gly].[dL].[Nle].[dP].[Mono34]}$PEPTIDE1817,PEPTIDE1817,1:R1-6:R2$$$ | PEPTIDE1817{<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/cHexCH2_Gly/">[cHexCH2_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono34/">[Mono34]</a>}$PEPTIDE1817,PEPTIDE1817,1:R1-6:R2$$$ | -4.0 | 56 | 712.508 | 1817 | null | null | 1.23e+41 | 8.939916716 | 22.66666667 | 13.88021737 | 429.6406972 | null | 16.94152533 | 0.378727819 | 16.94152533 | 0.245470722 | 1.869453898 | 0.245470722 | -6.97563115 | -0.378727819 | 3.977 | 215.0931 | 781.052 | Circle | 6 | 6 | null | 3 | 13 | null | null | 1 | 2 | 3 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 19 | 1 | 2 | 3 | 312 | 2.8-14H | -5.16 | 2.577480338 | -0.089155214 | 35.36603221 | 24.07156987 | 4.235526235 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 82.6323944 | 75.66562541 | 99.58965845 | 41.00587429 | null | -5.16 | null | null | null | null | null | null | null | null | 18.3 | null | 4 | CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)CN(CC2CCCCC2)C(=O)[C@@H](Cc2ccccc2)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O | 126.8389184 | 35.44307838 | 0.0 | 30.62916925 | 11.78791537 | 147.2590722 | 39.04328366 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['dF', 'cHexCH2_Gly', 'dL', 'Nle', 'dP', 'Mono34'] | [1.0159999999999998, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.9322] | [29.1, 20.31, 29.1, 29.1, 20.31, 29.54] | 15.92944006 | 0.0 | 0.0 | 0.0 | 119.3376791 | 39.87701096 | 11.78791537 | 205.397317 | 30.21209354 | 4.235526235 | 0.0 | 0 | 2016_Furukawa | 1817 | null | 157.46 | 56.93 | 602.0498646 | 0.0 | 90.79372224 | -8.174593477 | -2.833530798 | -39.98073867 | -38.59469736 | -82.070552 | -64.93947455 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.241363999 | null |
4c1f914f153250f72af580dd45079def27afd234d69769b35239b0d7dbff3d85 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,817 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dF', 'Mono38', 'dL', 'Nle', 'dP', 'Mono34'] | 45 | 1818 | -5.58 | -5.58 | Circle | 8 | -3.16e-16 | -2.767412568 | -2.66e-16 | -2.876808447 | -1.24e-16 | -1.133253588 | 5.95e-16 | -0.249290807 | 2.97317598 | 4281.415485 | 138.0 | null | null | 98.80651841 | 92.9492679 | 26.9492679 | 52.36591948 | 46.73698421 | 13.89534342 | 8.965434867 | 8.965434867 | 5.32649531 | 5.32649531 | 3.292160524 | 3.292160524 | null | null | null | null | 293.9372597 | 30.2799388 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 9.473725908 | 60.31337647 | 782.4942131 | 0.928571429 | 1.660714286 | 2.375 | 0.714285714 | 137.0 | PEPTIDE1818{[dF].[Mono38].[dL].[Nle].[dP].[Mono34]}$PEPTIDE1818,PEPTIDE1818,1:R1-6:R2$$$ | PEPTIDE1818{<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/Mono38/">[Mono38]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono34/">[Mono34]</a>}$PEPTIDE1818,PEPTIDE1818,1:R1-6:R2$$$ | -4.04 | 56 | 716.496 | 1818 | null | null | 8.799999999999999e+39 | 9.222409979 | 22.63680465 | 13.85839762 | 425.5793593 | null | 16.85698636 | 0.381428301 | 16.85698636 | 0.245470744 | 1.848753902 | 0.245470744 | -6.946645758 | -0.381428301 | 2.8233 | 212.0611 | 783.024 | Circle | 6 | 6 | null | 3 | 14 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 8 | 3 | 14 | 0 | 19 | 0 | 3 | 3 | 312 | 2.8-15H | -5.58 | 2.824744948 | -0.762663874 | 40.10289516 | 24.07156987 | 4.235526235 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 63.51361969 | 75.66562541 | 104.4830776 | 46.48890852 | null | -5.58 | null | null | null | null | null | null | null | null | 81.7 | null | 4 | CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)CN(CC2CCOCC2)C(=O)[C@@H](Cc2ccccc2)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O | 128.8342643 | 35.44307838 | 0.0 | 30.62916925 | 11.78791537 | 128.1402975 | 52.16125415 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['dF', 'Mono38', 'dL', 'Nle', 'dP', 'Mono34'] | [1.0159999999999998, 0.5436999999999996, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.9322] | [29.1, 29.540000000000003, 29.1, 29.1, 20.31, 29.54] | 15.92944006 | 0.0 | 0.0 | 0.0 | 132.4556496 | 44.61387391 | 11.78791537 | 183.5370252 | 30.21209354 | 4.235526235 | 0.0 | 0 | 2016_Furukawa | 1818 | null | 166.69 | 27.37 | 587.0155057 | 0.0 | 90.59412111 | -8.090271074 | -2.800934379 | -39.58806569 | -38.32722414 | -65.36419104 | -74.9389405 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.242619494 | null |
ad09d6911faa8870c5e1f0d3c7577a5091bd40f921594ab993d9544571eabfdf | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,818 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dF', 'pentyl_Gly', 'dL', 'Nle', 'dP', 'Mono1'] | 48 | 1819 | -5.44 | -5.44 | Circle | 4 | -1.14e-16 | -2.700489444 | -1.06e-16 | -2.866232195 | 9.67e-17 | -1.137419823 | 2.36e-15 | -0.249292215 | 2.497144225 | 4387.194192 | 139.0 | null | null | 93.77062002 | 87.4492679 | 27.4492679 | 50.74603523 | 44.23698421 | 14.39534342 | 9.446706127 | 9.446706127 | 5.82649531 | 5.82649531 | 3.667607416 | 3.667607416 | null | null | null | null | 297.369213 | 28.90918025 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 62.9333096 | 788.4472629 | 0.859649123 | 1.596491228 | 2.368421053 | 0.581395349 | 142.0 | PEPTIDE1819{[dF].[pentyl_Gly].[dL].[Nle].[dP].[Mono1]}$PEPTIDE1819,PEPTIDE1819,1:R1-6:R2$$$ | PEPTIDE1819{<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/pentyl_Gly/">[pentyl_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono1/">[Mono1]</a>}$PEPTIDE1819,PEPTIDE1819,1:R1-6:R2$$$ | -5.14 | 57 | 728.507 | 1819 | null | null | 1.24e+37 | 9.993512863 | 20.85701269 | 11.93563017 | 420.3819199 | null | 16.63685853 | 0.453595475 | 16.63685853 | 0.245647149 | 1.552570701 | 0.245647149 | -6.813866309 | -0.453595475 | 3.7007 | 213.7401 | 788.987 | Circle | 6 | 6 | null | 3 | 14 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 8 | 3 | 14 | 0 | 17 | 0 | 2 | 2 | 310 | 2.8-16H | -5.44 | 4.002113598 | 0.548296071 | 40.10289516 | 26.81308699 | 15.7345499 | 42.18812396 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 89.15378032 | 60.97032259 | 76.58157053 | 37.66737338 | null | -5.44 | null | null | null | null | null | null | null | null | 12.0 | null | 5 | CCCCCN1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(Cc2ccc3c(c2)OCO3)CC(=O)N[C@H](Cc2ccccc2)C1=O | 120.6097129 | 35.44307838 | 0.0 | 30.62916925 | 5.893957685 | 121.705247 | 32.73248432 | 59.46625264 | 0 | 11.49902367 | null | null | null | null | ['dF', 'pentyl_Gly', 'dL', 'Nle', 'dP', 'Mono1'] | [1.0159999999999998, 1.3073, 0.8193999999999995, 0.9635, 0.2794999999999998, 1.0459999999999998] | [29.1, 20.31, 29.1, 29.1, 20.31, 38.77] | 25.40316597 | 0.0 | 11.49902367 | 0.0 | 106.9468618 | 41.63700769 | 5.893957685 | 174.0240333 | 48.33934966 | 4.235526235 | 0.0 | 0 | 2016_Furukawa | 1819 | null | 166.69 | 35.93 | 537.2672622 | 0.0 | 90.90764689 | -7.687419176 | -5.251692359 | -35.42625065 | -43.52654703 | -58.56110421 | -55.47189569 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25873403 | null |
ebb19a7f7406f43851b6dcb00365b8243d74021294d54fd47daf23bd90149c1e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,819 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dF', 'cHexCH2_Gly', 'dL', 'Nle', 'dP', 'Mono1'] | 49 | 1820 | -8.27 | -8.27 | Circle | 2 | -1.63e-16 | -2.818579689 | -3.22e-17 | -2.87237864 | 7.36e-17 | -1.169201014 | 1.55e-15 | -0.249290785 | 2.222204532 | 4591.165935 | 151.0 | null | null | 96.77062002 | 90.4492679 | 28.4492679 | 52.49603523 | 45.98698421 | 15.14534342 | 10.07170613 | 10.07170613 | 6.257397009 | 6.257397009 | 3.970209965 | 3.970209965 | null | null | null | null | 309.1571284 | 33.02145591 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 61.56255104 | 814.4629129 | 0.847457627 | 1.593220339 | 2.355932203 | 0.6 | 151.0 | PEPTIDE1820{[dF].[cHexCH2_Gly].[dL].[Nle].[dP].[Mono1]}$PEPTIDE1820,PEPTIDE1820,1:R1-6:R2$$$ | PEPTIDE1820{<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/cHexCH2_Gly/">[cHexCH2_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono1/">[Mono1]</a>}$PEPTIDE1820,PEPTIDE1820,1:R1-6:R2$$$ | -5.14 | 59 | 752.529 | 1820 | null | null | 4.9599999999999997e+39 | 10.30280516 | 20.7062916 | 11.75327881 | 434.915914 | null | 16.97411328 | 0.453595475 | 16.97411328 | 0.245647149 | 1.573098082 | 0.245647149 | -6.891873416 | -0.453595475 | 4.0908 | 220.7901 | 815.025 | Circle | 6 | 6 | null | 3 | 14 | null | null | 1 | 3 | 4 | 2 | 0 | 2 | 8 | 3 | 14 | 0 | 14 | 1 | 2 | 3 | 320 | 2.8-17H | -8.27 | 2.917300676 | 0.42198715 | 40.10289516 | 26.81308699 | 15.7345499 | 42.18812396 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 88.6748131 | 73.23720518 | 79.32308764 | 37.66737338 | null | -8.27 | null | null | null | null | null | null | null | null | 9.4 | null | 6 | CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)CN(CC2CCCCC2)C(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)[C@H]2CCCN2C1=O | 123.3512301 | 35.44307838 | 0.0 | 30.62916925 | 11.78791537 | 127.5992047 | 32.73248432 | 59.46625264 | 0 | 11.49902367 | null | null | null | null | ['dF', 'cHexCH2_Gly', 'dL', 'Nle', 'dP', 'Mono1'] | [1.0159999999999998, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 1.0459999999999998] | [29.1, 20.31, 29.1, 29.1, 20.31, 38.77] | 25.40316597 | 0.0 | 11.49902367 | 0.0 | 106.9468618 | 41.63700769 | 11.78791537 | 182.6595081 | 48.33934966 | 4.235526235 | 0.0 | 0 | 2016_Furukawa | 1820 | null | 166.69 | 0.07 | 562.9609307 | 0.0 | 91.8505838 | -7.816372217 | -5.339516933 | -42.17099225 | -44.09898695 | -69.34378146 | -51.29186471 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.30536671 | null |
cd4422d99b4095b50cf3970e7099ba8dff2c79f52b5abbb1575464f83b047e31 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,820 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dF', 'Mono38', 'dL', 'Nle', 'dP', 'Mono1'] | 44 | 1821 | -5.27 | -5.27 | Circle | 6 | -1.52e-16 | -2.767364423 | -8.81e-17 | -2.874752602 | 1.85e-16 | -1.13321557 | 3.42e-15 | -0.249290785 | 2.209879832 | 4503.72926 | 168.0 | null | null | 94.9777268 | 88.35751619 | 28.35751619 | 51.70314201 | 44.8952325 | 15.05359171 | 10.00289235 | 10.00289235 | 6.211521154 | 6.211521154 | 3.930068592 | 3.930068592 | null | null | null | null | 303.1563241 | 33.02145591 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 58.82103393 | 816.4421775 | 0.881355932 | 1.627118644 | 2.389830508 | 0.590909091 | 163.0 | PEPTIDE1821{[dF].[Mono38].[dL].[Nle].[dP].[Mono1]}$PEPTIDE1821,PEPTIDE1821,1:R1-6:R2$$$ | PEPTIDE1821{<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/Mono38/">[Mono38]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono1/">[Mono1]</a>}$PEPTIDE1821,PEPTIDE1821,1:R1-6:R2$$$ | -5.18 | 59 | 756.517 | 1821 | null | null | 4.24e+38 | 10.6355852 | 20.67867758 | 11.73462089 | 430.8545761 | null | 16.88957432 | 0.453595475 | 16.88957432 | 0.245647149 | 1.560307418 | 0.245647149 | -6.852389945 | -0.453595475 | 2.9371 | 217.7581 | 816.997 | Circle | 6 | 6 | null | 3 | 15 | null | null | 0 | 4 | 4 | 2 | 0 | 2 | 9 | 3 | 15 | 0 | 14 | 0 | 3 | 3 | 320 | 2.8-18H | -5.27 | 3.142478518 | -0.226593891 | 44.83975811 | 26.81308699 | 15.7345499 | 42.18812396 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 69.5560384 | 73.23720518 | 84.21650679 | 43.1504076 | null | -5.27 | null | null | null | null | null | null | null | null | 51.3 | null | 6 | CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)CN(CC2CCOCC2)C(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)[C@H]2CCCN2C1=O | 125.3465759 | 35.44307838 | 0.0 | 30.62916925 | 11.78791537 | 108.48043 | 45.85045481 | 59.46625264 | 0 | 11.49902367 | null | null | null | null | ['dF', 'Mono38', 'dL', 'Nle', 'dP', 'Mono1'] | [1.0159999999999998, 0.5436999999999996, 0.8193999999999995, 0.9635, 0.2794999999999998, 1.0459999999999998] | [29.1, 29.540000000000003, 29.1, 29.1, 20.31, 38.77] | 25.40316597 | 0.0 | 11.49902367 | 0.0 | 120.0648322 | 46.37387064 | 11.78791537 | 160.7992162 | 48.33934966 | 4.235526235 | 0.0 | 0 | 2016_Furukawa | 1821 | null | 175.92 | 47.83 | 547.9623498 | 0.0 | 91.65098266 | -7.732049813 | -5.288770476 | -41.75124961 | -43.7851514 | -52.86018428 | -61.19592687 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.308185963 | null |
de73308461806a8d5f11cfa36e8c05377ea84fd8e86a26cc9ba56c59d96036e3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,821 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)'] | 78 | 1822 | -6.2 | -6.2 | Circle | 7 | -3.72e-16 | -2.741631859 | -3.95e-16 | -2.890258212 | -2.31e-16 | -1.136047084 | 1.15e-16 | -0.249287767 | 8.516208569 | 6899.875158 | 166.0 | null | null | 161.0635132 | 151.818329 | 40.81832904 | 83.32454392 | 75.13118955 | 19.93408688 | 13.7037587 | 13.7037587 | 8.107632225 | 8.107632225 | 4.665881388 | 4.665881388 | null | null | null | null | 450.1857519 | 44.02860789 | 52.73990902 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 108.350367 | 1201.841368 | 0.564705882 | 1.082352941 | 1.588235294 | 0.790322581 | 161.0 | PEPTIDE1822{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[Me_Bmt(E)]}$PEPTIDE1822,PEPTIDE1822,1:R1-11:R2$$$ | PEPTIDE1822{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href... | -6.13 | 85 | 1090.747 | 1822 | null | null | 4.96e+74 | 13.26598462 | 34.87150528 | 21.65558178 | 664.6651694 | null | 18.025327 | 0.390126486 | 18.025327 | 0.245643649 | 3.146713736 | 0.245643649 | -8.388333089 | -0.390126486 | 3.269 | 328.4446 | 1202.635 | Circle | 11 | 11 | null | 5 | 23 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 12 | 5 | 23 | 0 | 40 | 0 | 1 | 1 | 486 | Cyclosporine A (7) | -6.2 | -6.620415814 | -0.186784244 | 60.64742972 | 60.17892468 | 5.647368313 | 66.41017668 | 0.0 | 0.0 | 52.73990902 | 0.0 | 0.0 | 0.0 | 108.0306331 | 100.0509296 | 173.5698169 | 33.13825605 | null | -6.2 | null | null | null | null | null | null | null | null | 13.4 | null | 1 | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 208.7964925 | 64.97897702 | 1.431199657 | 55.53862153 | 41.2577038 | 220.9786581 | 55.32764799 | 12.10414349 | 0 | 0.0 | [['PAMPA'], ['RRCK'], ['PAMPA'], ['RRCK'], ['RRCK'], ['PAMPA', 'RRCK'], ['PAMPA', 'Caco2'], ['PAMPA']] | [1, 22, 932, 981, 1862, 2356, 7188, 7353] | [['-6.60'], ['-5.96'], ['-5.01'], ['-5.96'], ['-5.25'], ['-6.15', '-5.87'], ['-5.71', '-5.58'], ['-5.72']] | ['2006_Rezai_1', '2011_White', '2015_Ahlbach', '2015_Bockus_1', '2017_Price', '2018_Naylor', '2021_Lee', '2022_Lee'] | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)'] | [0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.7328] | [29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 29.54] | 21.23925341 | 0.0 | 0.0 | 0.0 | 227.4049437 | 52.73990902 | 41.2577038 | 300.0201224 | 12.10414349 | 5.647368313 | 0.0 | 0 | 2016_Hickey | 1 | null | 278.8 | null | 992.9384945 | 0.0 | 165.6557411 | -9.339386785 | 0.0 | -108.5974979 | -85.82308579 | -51.24993928 | -163.1676591 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11 | 11 | 0 | 0 | 0 | 7 | 4 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.147924715 | null |
b730f15ace272ec4badd374b0a18b50ffaf7725cb68e05c40405bf3d406eb398 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,822 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['S', 'dL', 'F', 'F', 'Mono13'] | 31 | 1823 | -5.6 | -5.6 | Circle | 2 | -1.01e-16 | -2.712462125 | -9.78e-17 | -2.927364229 | 1.48e-17 | -1.133338681 | 2.05e-15 | -0.24926549 | 2.943018416 | 4025.989372 | 168.0 | null | null | 89.14086351 | 82.9882332 | 25.9882332 | 48.41984338 | 41.62450085 | 13.53297098 | 9.201669229 | 9.201669229 | 5.398454734 | 5.398454734 | 3.387425968 | 3.387425968 | null | null | null | null | 283.3429106 | 22.05538747 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 56.38479247 | 747.4319472 | 0.925925926 | 1.462962963 | 2.018518519 | 0.55 | 166.0 | PEPTIDE1823{S.[dL].F.F.[Mono13]}$PEPTIDE1823,PEPTIDE1823,1:R1-5:R2$$$ | PEPTIDE1823{<a href="/monomers/S/">S</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono13/">[Mono13]</a>}$PEPTIDE1823,PEPTIDE1823,1:R1-5:R2$$$ | -4.82 | 54 | 690.482 | 1823 | null | null | 7.58e+34 | 9.5771422 | 18.97483578 | 11.8411092 | 398.0359159 | null | 16.41876663 | 0.393679073 | 16.41876663 | 0.245126455 | 1.720085684 | 0.245126455 | -6.992479068 | -0.393679073 | 0.7154 | 203.572 | 747.938 | Circle | 5 | 5 | null | 7 | 14 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 8 | 7 | 14 | 0 | 12 | 0 | 2 | 2 | 294 | c*[PS-DLeu-FF] (1) | -5.6 | 2.975993668 | 1.700754519 | 36.96768831 | 30.08946234 | 8.47105247 | 36.87427803 | 0.0 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 74.12797131 | 70.04406353 | 60.7782903 | 44.63918275 | 190.0 | -5.6 | null | null | null | null | null | null | null | null | 92.3 | null | 4 | CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 110.8850116 | 35.44307838 | 1.431199657 | 36.75878985 | 5.893957685 | 120.6401497 | 13.05584493 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['S', 'dL', 'F', 'F', 'Mono13'] | [-1.2344000000000002, 0.8193999999999995, 1.0159999999999998, 1.0159999999999998, 0.5409000000000008] | [49.33, 29.1, 29.1, 29.1, 61.440000000000005] | 31.85888012 | 0.0 | 0.0 | 0.0 | 107.6030134 | 41.51307291 | 5.893957685 | 139.8949582 | 60.42418708 | 8.47105247 | 0.0 | 0 | 2016_Hickey | 1823 | null | 198.07 | null | 501.339308 | 0.0 | 94.26787508 | -10.89185747 | -11.02451286 | -31.31410489 | -66.51566406 | -29.33695224 | -44.52409154 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.20506326 | null |
7237f9ba0bf5b10756c5d9e90610f33ebcfbbbc1f4762beee09b70d555b8f3ed | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,823 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'S', 'dL', 'F', 'F', 'A'] | 31 | 1824 | -7.2 | -7.2 | Circle | 7 | -6.41e-17 | -2.684275528 | 5.91e-17 | -2.893773498 | 1.06e-16 | -1.133199275 | 10.14815522 | -0.247874825 | 2.714662699 | 3452.99972 | 167.0 | null | null | 75.06351324 | 69.04101961 | 23.04101961 | 41.26514284 | 34.73007366 | 12.08575739 | 8.030848835 | 8.030848835 | 4.884384685 | 4.884384685 | 2.964709255 | 2.964709255 | null | null | null | null | 245.9206032 | 13.78975261 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 49.53099969 | 662.3427978 | 0.854166667 | 1.375 | 1.9375 | 0.485714286 | 172.0 | PEPTIDE1824{P.S.[dL].F.F.A}$PEPTIDE1824,PEPTIDE1824,1:R1-6:R2$$$ | PEPTIDE1824{<a href="/monomers/P/">P</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/A/">A</a>}$PEPTIDE1824,PEPTIDE1824,1:R1-6:R2$$$ | -4.78 | 48 | 616.42 | 1824 | null | null | 1.07e+24 | 9.058806535 | 16.86446681 | 9.628013644 | 345.148611 | null | 15.86745932 | 0.393679071 | 15.86745932 | 0.245126723 | 1.579902353 | 0.245126723 | -6.331997438 | -0.393679071 | -0.0413 | 176.8953 | 662.788 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 6 | 13 | 0 | 11 | 0 | 2 | 2 | 258 | cyclo[PS-DLeu-FFA] (2) | -7.2 | 5.289535152 | 1.795838168 | 36.55778469 | 36.10735481 | 7.059210392 | 36.87427803 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 74.12797131 | 42.99152749 | 49.39939772 | 31.23263925 | 201.32 | -7.2 | null | null | null | null | null | null | null | null | 78.8 | null | 4 | CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 95.76558393 | 35.44307838 | 1.431199657 | 31.4489765 | 5.893957685 | 88.52765567 | 13.05584493 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['P', 'S', 'dL', 'F', 'F', 'A'] | [0.2794999999999998, -1.2344000000000002, 0.8193999999999995, 1.0159999999999998, 1.0159999999999998, -0.2068000000000003] | [20.31, 49.33, 29.1, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 96.04619569 | 41.51307291 | 5.893957685 | 105.6316963 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2016_Hickey | 1824 | null | 186.04 | null | 397.1405584 | 0.0 | 91.065451 | -7.257784072 | -4.799652956 | -28.94177145 | -54.83575368 | -27.35424579 | -26.26680149 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.24017023 | null |
5559b951b8b9aff728e1f98a006f8f1ac00ed07c4120275b79e6ae4241ce4c36 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,824 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['S', 'dL', 'F', 'F', 'Mono46'] | 31 | 1825 | -5.6 | -5.6 | Circle | 3 | -5.98e-17 | -2.712921104 | -3.18e-17 | -2.937102778 | 1.85e-16 | -1.133334975 | 4.24e-15 | -0.249265429 | 2.619739509 | 4663.30586 | 178.0 | null | null | 97.31207191 | 90.39648149 | 30.21297807 | 53.56839641 | 45.53274914 | 16.25771585 | 10.35991752 | 11.1764141 | 6.125284499 | 6.828944027 | 3.847515432 | 4.392694362 | null | null | null | null | 329.0654374 | 34.51546504 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 49.40774912 | 855.4353183 | 0.868852459 | 1.393442623 | 1.967213115 | 0.47826087 | 164.0 | PEPTIDE1825{S.[dL].F.F.[Mono46]}$PEPTIDE1825,PEPTIDE1825,1:R1-5:R2$$$ | PEPTIDE1825{<a href="/monomers/S/">S</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono46/">[Mono46]</a>}$PEPTIDE1825,PEPTIDE1825,1:R1-5:R2$$$ | -5.25 | 61 | 794.615 | 1825 | null | null | 1.33e+40 | 11.46143089 | 22.02224789 | 13.88420407 | 448.8360021 | null | 17.07317201 | 0.393679073 | 17.07317201 | 0.245126455 | 1.624681517 | 0.245126455 | -7.174439457 | -0.393679073 | 2.4878 | 235.064 | 856.103 | Circle | 5 | 5 | null | 7 | 14 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 9 | 7 | 15 | 0 | 14 | 0 | 2 | 2 | 328 | c*[PS-DLeu-FF] (3) | -5.6 | 1.70930713 | 2.960630946 | 36.96768831 | 30.08946234 | 8.47105247 | 36.87427803 | 0.0 | 0.0 | 33.66713284 | 0.0 | 0.0 | 11.76188495 | 92.25522743 | 75.27700882 | 70.0079721 | 51.49297553 | 186.86 | -5.6 | null | null | null | null | null | null | null | null | 29.0 | null | 5 | CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@H](CSc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 116.3680458 | 47.20496333 | 1.431199657 | 36.75878985 | 5.893957685 | 118.6837411 | 18.76080181 | 101.7631836 | 0 | 0.0 | null | null | null | null | ['S', 'dL', 'F', 'F', 'Mono46'] | [-1.2344000000000002, 0.8193999999999995, 1.0159999999999998, 1.0159999999999998, 2.3133] | [49.33, 29.1, 29.1, 29.1, 61.440000000000005] | 31.85888012 | 0.0 | 0.0 | 11.76188495 | 113.3079703 | 41.51307291 | 5.893957685 | 138.5261003 | 95.53176409 | 8.47105247 | 0.0 | 0 | 2016_Hickey | 1825 | null | 198.07 | null | 547.1601679 | -1.713942349 | 94.67688292 | -11.03596698 | -17.29088749 | -31.81201379 | -77.19162093 | -29.86041886 | -39.09886709 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.141861366 | null |
ae1894feb4f37b3375103f2816bc0b3fcc443b810ce9f0613d86b437daea1376 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,825 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Ser(tBu)', 'dL', 'F', 'F', 'Mono47'] | 38 | 1826 | -5.3 | -5.3 | Circle | 7 | -2.21e-16 | -2.692355952 | -1.24e-16 | -2.893681124 | -1.43e-17 | -1.133411589 | 1.85e-15 | -0.249272401 | 2.555656504 | 4433.286496 | 126.0 | null | null | 97.14086351 | 90.9882332 | 27.9882332 | 52.52761486 | 45.9467699 | 14.71070193 | 10.32032772 | 10.32032772 | 5.983632623 | 5.983632623 | 3.802836685 | 3.802836685 | null | null | null | null | 308.7347017 | 34.43329799 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 52.12990866 | 801.4788974 | 0.896551724 | 1.465517241 | 2.086206897 | 0.590909091 | 121.0 | PEPTIDE1826{[Ser(tBu)].[dL].F.F.[Mono47]}$PEPTIDE1826,PEPTIDE1826,1:R1-5:R2$$$ | PEPTIDE1826{<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono47/">[Mono47]</a>}$PEPTIDE1826,PEPTIDE1826,1:R1-5:R2$$$ | -4.82 | 58 | 738.526 | 1826 | null | null | 7.58e+40 | 10.02517779 | 18.83776464 | 12.34325777 | 431.3042323 | null | 16.60667451 | 0.373173143 | 16.60667451 | 0.245448267 | 1.744628508 | 0.245448267 | -6.88914575 | -0.373173143 | 2.2443 | 220.0875 | 802.03 | Circle | 5 | 5 | null | 5 | 14 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 8 | 5 | 14 | 0 | 11 | 0 | 3 | 3 | 316 | c[P-S(OtBu)-DLeu-FF] (4) | -5.3 | 3.423538718 | 1.223133257 | 36.18583945 | 30.08946234 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 74.12797131 | 83.74784776 | 75.49970132 | 52.98175067 | 180.12 | -5.3 | null | null | null | null | null | null | null | null | 40.8 | null | 5 | CC(C)C[C@H]1NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@@H]2CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 120.0672927 | 35.44307838 | 0.0 | 36.34888623 | 5.893957685 | 139.9449848 | 19.55270461 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Ser(tBu)', 'dL', 'F', 'F', 'Mono47'] | [0.5883999999999996, 0.8193999999999995, 1.0159999999999998, 1.0159999999999998, 0.2470000000000005] | [38.33, 29.1, 29.1, 29.1, 52.42] | 26.54906677 | 0.0 | 0.0 | 0.0 | 118.0608258 | 46.24993586 | 5.893957685 | 164.5648109 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2016_Hickey | 1826 | null | 178.05 | null | 561.8280788 | 0.0 | 94.51216927 | -12.42333222 | -16.87047081 | -31.90089908 | -66.87509654 | -29.80745119 | -61.46299819 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.240034546 | null |
b8b039773d6ddafc0906858bb3a37f3b8d5a91554aa569351ed6c1f863b3f10b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,826 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meY', 'L', 'Me_dL', 'meL', 'L'] | 39 | 1827 | -6.4 | -6.4 | Circle | 9 | -2.73e-16 | -2.736564284 | -2.23e-16 | -2.876464008 | -1.04e-16 | -1.136362017 | 1.69e-16 | -0.24928777 | 3.881438201 | 4121.809889 | 110.0 | null | null | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.814814815 | 0.707317073 | 111.0 | PEPTIDE1827{[dP].[meY].L.[Me_dL].[meL].L}$PEPTIDE1827,PEPTIDE1827,1:R1-6:R2$$$ | PEPTIDE1827{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>}$PEPTIDE1827,PEPTIDE1827,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1827 | null | null | 5.2000000000000006e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.00766616 | 0.507966645 | 17.00766616 | 0.29309207 | 1.857455529 | 0.29309207 | -7.503943013 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cyclo[DPro-MeTyr-Leu-DMeLeu-MeLeu-Leu] (6) | -6.4 | 2.143539337 | -1.009728356 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -6.4 | null | null | null | null | null | null | null | null | 11.9 | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['Caco2', 'RRCK'], ['PAMPA', 'RRCK'], ['Caco2'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'Caco2'], ['PAMPA', 'RRCK']] | [25, 32, 980, 999, 1018, 1027, 1030, 1056, 2328] | [['-5.31'], ['-5.31', '-5.31'], ['-5.52', '-5.31'], ['-4.75'], ['-4.50', '-4.96'], ['-4.40', '-4.70'], ['-6.00'], ['-6.24', '-4.80'], ['-5.52', '-4.88']] | ['2011_White', '2012_Rand', '2015_Bockus_1', '2015_Hewitt', '2015_Lewis', '2015_Marelli', '2015_Nielsen', '2015_Wang', '2018_Naylor'] | ['dP', 'meY', 'L', 'Me_dL', 'meL', 'L'] | [0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995] | [20.31, 40.540000000000006, 29.1, 20.31, 20.31, 29.1] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2016_Hickey | 25 | null | 159.67 | null | 582.2023772 | 0.0 | 89.70782057 | -1.813002853 | -2.870125422 | -55.52934034 | -52.22939965 | -45.30761639 | -70.41071309 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
b1a709cab6372550fefc912d65b913dd54b821d197bd218563f74d860803b4e5 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,827 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'L', 'G', 'F', 'Mono13'] | 30 | 1828 | -5.5 | -5.5 | Circle | 6 | -2.15e-16 | -2.717051246 | -2.41e-16 | -2.922873683 | -1.11e-16 | -1.13535399 | 7.25e-16 | -0.249287767 | 3.501877421 | 3606.203242 | 145.0 | null | null | 85.96965511 | 80.57998491 | 23.57998491 | 45.68375673 | 40.26212841 | 12.07884684 | 8.237803757 | 8.237803757 | 4.638945717 | 4.638945717 | 2.929725615 | 2.929725615 | null | null | null | null | 261.0850895 | 16.53126972 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 61.84846912 | 683.4370325 | 1.0 | 1.632653061 | 2.265306122 | 0.666666667 | 138.0 | PEPTIDE1828{L.L.G.F.[Mono13]}$PEPTIDE1828,PEPTIDE1828,1:R1-5:R2$$$ | PEPTIDE1828{<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono13/">[Mono13]</a>}$PEPTIDE1828,PEPTIDE1828,1:R1-5:R2$$$ | -4.0 | 49 | 626.439 | 1828 | null | null | 2.17e+32 | 8.054733728 | 17.59429066 | 12.1275 | 370.8278019 | null | 16.17141674 | 0.350073276 | 16.17141674 | 0.242737185 | 1.681944385 | 0.242737185 | -7.018718191 | -0.350073276 | 1.1579 | 186.8742 | 683.895 | Circle | 5 | 5 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 12 | 0 | 2 | 2 | 272 | c*[PLLGF] (8) | -5.5 | 3.973066165 | -0.317123926 | 31.85888012 | 24.07156987 | 8.47105247 | 35.44307838 | 0.0 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 57.61966201 | 76.74749462 | 64.00067529 | 36.35250585 | 170.15 | -5.5 | null | null | null | null | null | null | null | null | 90.4 | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O | 107.1469619 | 35.44307838 | 0.0 | 36.75878985 | 11.78791537 | 128.3260415 | 12.99371937 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['L', 'L', 'G', 'F', 'Mono13'] | [0.8193999999999995, 0.8193999999999995, -0.5953000000000002, 1.0159999999999998, 0.5409000000000008] | [29.1, 29.1, 29.1, 29.1, 61.440000000000005] | 31.85888012 | 0.0 | 0.0 | 0.0 | 94.98298754 | 35.14014801 | 11.78791537 | 155.7789744 | 30.21209354 | 8.47105247 | 0.0 | 0 | 2016_Hickey | 1828 | null | 177.84 | null | 494.0757532 | 0.0 | 92.14354373 | -14.56273714 | -8.333088397 | -37.07970637 | -49.82762458 | -29.93396479 | -55.48217567 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.249823711 | null |
838f4a85a1143e227e281d8b358e08d64b315c31d3bb0ae60e7a31bb80844369 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,828 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['S', 'L', 'Y', 'F', 'Mono13'] | 30 | 1829 | -9.1 | -9.1 | Circle | 1 | -6.43e-17 | -2.712460203 | 1.17e-18 | -2.927362892 | 9.08e-17 | -1.133338877 | 2.29e-15 | -0.24926549 | 2.948733638 | 4048.792289 | 203.0 | null | null | 89.84797029 | 83.39648149 | 26.39648149 | 48.95784818 | 41.73687328 | 13.73709513 | 9.405793374 | 9.405793374 | 5.500516807 | 5.500516807 | 3.438457004 | 3.438457004 | null | null | null | null | 283.0500038 | 22.05538747 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 56.44523357 | 763.4268618 | 0.945454545 | 1.545454545 | 2.163636364 | 0.55 | 203.0 | PEPTIDE1829{S.L.Y.F.[Mono13]}$PEPTIDE1829,PEPTIDE1829,1:R1-5:R2$$$ | PEPTIDE1829{<a href="/monomers/S/">S</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono13/">[Mono13]</a>}$PEPTIDE1829,PEPTIDE1829,1:R1-5:R2$$$ | -5.02 | 55 | 706.481 | 1829 | null | null | 4.790000000000001e+34 | 9.913029137 | 19.02757553 | 12.23978881 | 402.9168199 | null | 16.44101761 | 0.507966645 | 16.44101761 | 0.29309207 | 1.715456054 | 0.29309207 | -7.001492674 | -0.507966645 | 0.421 | 205.2368 | 763.937 | Circle | 5 | 5 | null | 8 | 15 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 9 | 8 | 15 | 0 | 13 | 0 | 2 | 2 | 300 | c*[PSLYF] (9) | -9.1 | 2.355943298 | 1.079764411 | 42.0764965 | 35.83897418 | 8.47105247 | 36.87427803 | 1.431199657 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 56.00071519 | 82.12890094 | 60.7782903 | 43.26842419 | 220.99 | -9.1 | null | null | null | null | null | null | null | null | 100.0 | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 114.6230612 | 35.44307838 | 2.862399314 | 36.75878985 | 5.893957685 | 120.6401497 | 13.05584493 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['S', 'L', 'Y', 'F', 'Mono13'] | [-1.2344000000000002, 0.8193999999999995, 0.7215999999999996, 1.0159999999999998, 0.5409000000000008] | [49.33, 29.1, 49.33, 29.1, 61.440000000000005] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 114.1430213 | 41.51307291 | 5.893957685 | 138.5241996 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2016_Hickey | 1829 | null | 218.3 | null | 501.3174713 | 0.0 | 94.39976083 | -6.947281386 | -11.07279642 | -33.10663019 | -65.09162698 | -29.41187365 | -44.58702353 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.186728091 | null |
36c76e261c00ff36fc1d46b10b11462fff17940b91ed94bcc3bb1ca5e91f51cd | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,829 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['T', 'L', 'Y', 'F', 'Mono13'] | 30 | 1830 | -7.8 | -7.8 | Circle | 6 | -7.38e-17 | -2.713350385 | -4.31e-17 | -2.929268606 | 9.46e-17 | -1.13332554 | 2.59e-15 | -0.24926555 | 2.997985099 | 4160.386367 | 211.0 | null | null | 92.34797029 | 85.89648149 | 26.89648149 | 50.20784818 | 42.98687328 | 13.98709513 | 9.632855447 | 9.632855447 | 5.618918507 | 5.618918507 | 3.519874221 | 3.519874221 | null | null | null | null | 289.4229287 | 27.62058873 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 53.62154941 | 777.4425118 | 0.946428571 | 1.589285714 | 2.196428571 | 0.56097561 | 207.0 | PEPTIDE1830{T.L.Y.F.[Mono13]}$PEPTIDE1830,PEPTIDE1830,1:R1-5:R2$$$ | PEPTIDE1830{<a href="/monomers/T/">T</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono13/">[Mono13]</a>}$PEPTIDE1830,PEPTIDE1830,1:R1-5:R2$$$ | -5.02 | 56 | 718.492 | 1830 | null | null | 3.21e+36 | 9.976752394 | 19.22204345 | 12.23989739 | 412.091703 | null | 16.50256224 | 0.507966645 | 16.50256224 | 0.29309207 | 1.740767846 | 0.29309207 | -7.081787813 | -0.507966645 | 0.8095 | 209.8318 | 777.964 | Circle | 5 | 5 | null | 8 | 15 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 9 | 8 | 15 | 0 | 14 | 0 | 2 | 2 | 306 | c*[PTLYF] (10) | -7.8 | 2.109404945 | 1.045581628 | 42.0764965 | 35.83897418 | 8.47105247 | 36.87427803 | 1.431199657 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 56.00071519 | 88.98079306 | 64.89056596 | 41.41869842 | 216.43 | -7.8 | null | null | null | null | null | null | null | null | 100.0 | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 117.3645783 | 35.44307838 | 2.862399314 | 36.75878985 | 5.893957685 | 133.5720599 | 6.496859684 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['T', 'L', 'Y', 'F', 'Mono13'] | [-0.1918000000000002, 0.8193999999999995, 0.7215999999999996, 1.0159999999999998, 0.5409000000000008] | [38.33, 29.1, 49.33, 29.1, 61.440000000000005] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 113.664054 | 41.51307291 | 5.893957685 | 148.1176089 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2016_Hickey | 1830 | null | 218.3 | null | 520.2801899 | 0.0 | 95.23290638 | -7.196187134 | -11.18369418 | -33.72266032 | -66.10867393 | -35.79873044 | -44.75315032 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.190065361 | null |
cbd8c3ded829bce6774679fb888c956c09bce7cf2e2ce4d8b2ea34bba6f3abf3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,830 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['T', 'dL', 'Y', 'F', 'Mono13'] | 31 | 1831 | -8.8 | -8.8 | Circle | 4 | -7.38e-17 | -2.713350385 | -4.31e-17 | -2.929268606 | 9.46e-17 | -1.13332554 | 2.59e-15 | -0.24926555 | 2.997985099 | 4160.386367 | 206.0 | null | null | 92.34797029 | 85.89648149 | 26.89648149 | 50.20784818 | 42.98687328 | 13.98709513 | 9.632855447 | 9.632855447 | 5.618918507 | 5.618918507 | 3.519874221 | 3.519874221 | null | null | null | null | 289.4229287 | 27.62058873 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 53.62154941 | 777.4425118 | 0.946428571 | 1.589285714 | 2.196428571 | 0.56097561 | 207.0 | PEPTIDE1831{T.[dL].Y.F.[Mono13]}$PEPTIDE1831,PEPTIDE1831,1:R1-5:R2$$$ | PEPTIDE1831{<a href="/monomers/T/">T</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono13/">[Mono13]</a>}$PEPTIDE1831,PEPTIDE1831,1:R1-5:R2$$$ | -5.02 | 56 | 718.492 | 1831 | null | null | 3.21e+36 | 9.976752394 | 19.22204345 | 12.23989739 | 412.091703 | null | 16.50256224 | 0.507966645 | 16.50256224 | 0.29309207 | 1.740767846 | 0.29309207 | -7.081787813 | -0.507966645 | 0.8095 | 209.8318 | 777.964 | Circle | 5 | 5 | null | 8 | 15 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 9 | 8 | 15 | 0 | 14 | 0 | 2 | 2 | 306 | c*[PT-DLeu-YF] (11) | -8.8 | 2.109404945 | 1.045581628 | 42.0764965 | 35.83897418 | 8.47105247 | 36.87427803 | 1.431199657 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 56.00071519 | 88.98079306 | 64.89056596 | 41.41869842 | 216.44 | -8.8 | null | null | null | null | null | null | null | null | 100.0 | null | 4 | CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 117.3645783 | 35.44307838 | 2.862399314 | 36.75878985 | 5.893957685 | 133.5720599 | 6.496859684 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['T', 'dL', 'Y', 'F', 'Mono13'] | [-0.1918000000000002, 0.8193999999999995, 0.7215999999999996, 1.0159999999999998, 0.5409000000000008] | [38.33, 29.1, 49.33, 29.1, 61.440000000000005] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 113.664054 | 41.51307291 | 5.893957685 | 148.1176089 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2016_Hickey | 1831 | null | 218.3 | null | 520.2801899 | 0.0 | 95.23290638 | -7.196187134 | -11.18369418 | -33.72266032 | -66.10867393 | -35.79873044 | -44.75315032 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.190065361 | null |
b7d06cbfa2e28af2b0b501c6fd7d7efa11b77d7fac1b027a7a93657015953994 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,831 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'L', 'G', 'F', 'Mono46'] | 30 | 1832 | -5.8 | -5.8 | Circle | 8 | -1.46e-16 | -2.717373839 | -2.82e-16 | -2.933742578 | 7.92e-17 | -1.135353933 | 1.48e-15 | -0.249287767 | 3.008302234 | 4234.99487 | 137.0 | null | null | 94.14086351 | 87.9882332 | 27.80472978 | 50.83230976 | 44.1703767 | 14.80359171 | 9.396052048 | 10.21254863 | 5.365775481 | 6.069435009 | 3.38981508 | 3.93499401 | null | null | null | null | 306.8076162 | 27.57950521 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 56.28326785 | 791.4404037 | 0.928571429 | 1.535714286 | 2.178571429 | 0.571428571 | 138.0 | PEPTIDE1832{L.L.G.F.[Mono46]}$PEPTIDE1832,PEPTIDE1832,1:R1-5:R2$$$ | PEPTIDE1832{<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono46/">[Mono46]</a>}$PEPTIDE1832,PEPTIDE1832,1:R1-5:R2$$$ | -4.43 | 56 | 730.572 | 1832 | null | null | 1.37e+37 | 9.873992935 | 20.6511009 | 13.64629007 | 421.6278882 | null | 16.82582212 | 0.350072627 | 16.82582212 | 0.242737807 | 1.617255692 | 0.242737807 | -7.200678579 | -0.350072627 | 2.9303 | 218.3662 | 792.06 | Circle | 5 | 5 | null | 6 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 8 | 6 | 14 | 0 | 14 | 0 | 2 | 2 | 306 | c*[PLLGF] (12) | -5.8 | 2.710278103 | 1.004534342 | 31.85888012 | 24.07156987 | 8.47105247 | 35.44307838 | 0.0 | 0.0 | 33.66713284 | 0.0 | 0.0 | 11.76188495 | 75.74691813 | 81.98043992 | 73.23035709 | 43.20629863 | 177.56 | -5.8 | null | null | null | null | null | null | null | null | 24.8 | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@H](CSc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O | 112.6299962 | 47.20496333 | 0.0 | 36.75878985 | 11.78791537 | 126.3696329 | 18.69867625 | 65.98763857 | 0 | 0.0 | null | null | null | null | ['L', 'L', 'G', 'F', 'Mono46'] | [0.8193999999999995, 0.8193999999999995, -0.5953000000000002, 1.0159999999999998, 2.3133] | [29.1, 29.1, 29.1, 29.1, 61.440000000000005] | 31.85888012 | 0.0 | 0.0 | 11.76188495 | 100.6879444 | 35.14014801 | 11.78791537 | 154.4101165 | 65.31967055 | 8.47105247 | 0.0 | 0 | 2016_Hickey | 1832 | null | 177.84 | null | 539.7524992 | -1.707482501 | 92.56303535 | -14.75980198 | -14.51911512 | -37.65161959 | -60.15674236 | -30.45743141 | -50.23000821 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.199201109 | null |
e95fb16efcc0bb3178e130514b7be31ee3065e2ba26f422e2bc8c1ee82ab30ba | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,832 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'L', 'Sar', 'F', 'Mono46'] | 32 | 1833 | -5.6 | -5.6 | Circle | 4 | -1.72e-16 | -2.718455582 | -1.51e-16 | -2.932930858 | 7.66e-17 | -1.135367852 | 1.13e-15 | -0.249287767 | 3.065069073 | 4343.226924 | 135.0 | null | null | 96.64086351 | 90.4882332 | 28.30472978 | 52.04363462 | 45.4467699 | 15.02719851 | 9.619658845 | 10.43615543 | 5.523222426 | 6.226881955 | 3.490587703 | 4.035766633 | null | null | null | null | 313.3735395 | 28.99134729 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 57.57185936 | 805.4560537 | 0.947368421 | 1.578947368 | 2.228070175 | 0.581395349 | 137.0 | PEPTIDE1833{L.L.[Sar].F.[Mono46]}$PEPTIDE1833,PEPTIDE1833,1:R1-5:R2$$$ | PEPTIDE1833{<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono46/">[Mono46]</a>}$PEPTIDE1833,PEPTIDE1833,1:R1-5:R2$$$ | -4.43 | 57 | 742.583 | 1833 | null | null | 2.45e+39 | 9.94449194 | 20.82976271 | 13.87368396 | 430.9546861 | null | 16.88736675 | 0.350072627 | 16.88736675 | 0.244866864 | 1.639651525 | 0.244866864 | -7.256153786 | -0.350072627 | 3.2725 | 222.9935 | 806.087 | Circle | 5 | 5 | null | 5 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 8 | 5 | 14 | 0 | 15 | 0 | 2 | 2 | 312 | c*[PLL-Sar-F] (13) | -5.6 | 2.667164693 | 1.060892934 | 31.4489765 | 24.07156987 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 33.66713284 | 0.0 | 0.0 | 11.76188495 | 75.74691813 | 81.98043992 | 84.31845966 | 43.20629863 | 160.86 | -5.6 | null | null | null | null | null | null | null | null | 26.9 | null | 4 | CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@H](CSc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](CC(C)C)NC1=O | 115.3304298 | 47.20496333 | 0.0 | 36.34888623 | 11.78791537 | 126.3696329 | 25.67450315 | 65.98763857 | 0 | 0.0 | null | null | null | null | ['L', 'L', 'Sar', 'F', 'Mono46'] | [0.8193999999999995, 0.8193999999999995, -0.2531000000000001, 1.0159999999999998, 2.3133] | [29.1, 29.1, 20.31, 29.1, 61.440000000000005] | 26.54906677 | 0.0 | 0.0 | 11.76188495 | 112.5636811 | 35.14014801 | 11.78791537 | 158.5223922 | 65.31967055 | 7.059210392 | 0.0 | 0 | 2016_Hickey | 1833 | null | 169.05 | null | 559.1255926 | -1.742462987 | 91.35271492 | -12.76624574 | -14.67466198 | -38.48899756 | -61.14102819 | -30.88713684 | -56.69444087 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 5 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.228299659 | null |
b92f0c693ae5cf6decf3128ca21d32177ec602c8352815f68f1f38dff5eece56 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,834 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'L', 'Sar', 'meF', 'Mono46'] | 34 | 1835 | -5.9 | -5.9 | Circle | 2 | -2e-16 | -2.72009167 | -1.77e-16 | -2.930362754 | -9.37e-18 | -1.135367926 | 1.28e-15 | -0.249287767 | 3.135968252 | 4451.81909 | 123.0 | null | null | 99.14086351 | 92.9882332 | 28.80472978 | 53.25495949 | 46.72316311 | 15.2508053 | 9.843265643 | 10.65976222 | 5.736571071 | 6.4402306 | 3.591360326 | 4.136539256 | null | null | null | null | 319.9394628 | 33.06253944 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 56.2011008 | 819.4717038 | 0.965517241 | 1.620689655 | 2.25862069 | 0.590909091 | 116.0 | PEPTIDE1835{L.L.[Sar].[meF].[Mono46]}$PEPTIDE1835,PEPTIDE1835,1:R1-5:R2$$$ | PEPTIDE1835{<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono46/">[Mono46]</a>}$PEPTIDE1835,PEPTIDE1835,1:R1-5:R2$$$ | -4.43 | 58 | 754.594 | 1835 | null | null | 1.6399999999999999e+41 | 10.01716361 | 21.01218981 | 13.30227814 | 440.2814841 | null | 17.0756616 | 0.350072627 | 17.0756616 | 0.244866984 | 1.672781456 | 0.244866984 | -7.355404423 | -0.350072627 | 3.6147 | 227.6208 | 820.114 | Circle | 5 | 5 | null | 4 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 8 | 4 | 14 | 0 | 16 | 0 | 2 | 2 | 318 | c*[PLL-Sar-MePhe] (15) | -5.9 | 2.591853591 | 1.168879904 | 31.03907287 | 24.07156987 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 33.66713284 | 0.0 | 0.0 | 11.76188495 | 75.74691813 | 81.98043992 | 95.40656223 | 43.20629863 | 147.65 | -5.9 | null | null | null | null | null | null | null | null | 17.5 | null | 4 | CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@H](CSc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H](CC(C)C)NC1=O | 118.0308633 | 47.20496333 | 0.0 | 35.93898261 | 11.78791537 | 126.3696329 | 32.65033005 | 65.98763857 | 0 | 0.0 | null | null | null | null | ['L', 'L', 'Sar', 'meF', 'Mono46'] | [0.8193999999999995, 0.8193999999999995, -0.2531000000000001, 1.3581999999999996, 2.3133] | [29.1, 29.1, 20.31, 20.31, 61.440000000000005] | 21.23925341 | 0.0 | 0.0 | 11.76188495 | 124.4394177 | 35.14014801 | 11.78791537 | 162.6346678 | 65.31967055 | 5.647368313 | 0.0 | 0 | 2016_Hickey | 1835 | null | 160.26 | null | 579.2464196 | -1.801153188 | 89.9141238 | -10.59674126 | -14.9571656 | -39.23331232 | -62.49754823 | -31.34114065 | -63.40014877 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.264943578 | null |
69bca5059b711cf0642fff971ab7a2f8d59c86fd6e37f4debd1104d917de1b9a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,835 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['T', 'meL', 'Y', 'F', 'Mono13'] | 32 | 1836 | -8.0 | -8 | Circle | 9 | -9.44e-17 | -2.716385298 | -8.32e-17 | -2.926818517 | 5.78e-17 | -1.134072546 | 1.61e-15 | -0.249265641 | 3.067407796 | 4268.353098 | 175.0 | null | null | 94.84797029 | 88.39648149 | 27.39648149 | 51.41917305 | 44.26326648 | 14.21070193 | 9.856462244 | 9.856462244 | 5.832267151 | 5.832267151 | 3.648597694 | 3.648597694 | null | null | null | null | 295.9888519 | 26.20874666 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 57.73382508 | 791.4581619 | 1.0 | 1.684210526 | 2.298245614 | 0.571428571 | 170.0 | PEPTIDE1836{T.[meL].Y.F.[Mono13]}$PEPTIDE1836,PEPTIDE1836,1:R1-5:R2$$$ | PEPTIDE1836{<a href="/monomers/T/">T</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono13/">[Mono13]</a>}$PEPTIDE1836,PEPTIDE1836,1:R1-5:R2$$$ | -5.02 | 57 | 730.503 | 1836 | null | null | 3.07e+38 | 10.0431449 | 19.41944393 | 12.23520155 | 421.418501 | null | 16.57522064 | 0.507966645 | 16.57522064 | 0.29309207 | 1.779220555 | 0.29309207 | -7.147991516 | -0.507966645 | 1.1517 | 214.4591 | 791.991 | Circle | 5 | 5 | null | 7 | 15 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 9 | 7 | 15 | 0 | 15 | 0 | 2 | 2 | 312 | c*[PT-MeLeu-YF] (16) | -8.0 | 2.099313045 | 1.07469275 | 41.66659288 | 35.83897418 | 7.059210392 | 36.87427803 | 1.431199657 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 56.00071519 | 88.98079306 | 75.97866853 | 41.41869842 | 205.26 | -8.0 | null | null | null | null | null | null | null | null | 96.1 | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)[C@@H](C(=O)NC(C)(C)C)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C | 120.0650119 | 35.44307838 | 2.862399314 | 36.34888623 | 5.893957685 | 133.5720599 | 13.47268658 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['T', 'meL', 'Y', 'F', 'Mono13'] | [-0.1918000000000002, 1.1616, 0.7215999999999996, 1.0159999999999998, 0.5409000000000008] | [38.33, 20.31, 49.33, 29.1, 61.440000000000005] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 125.5397907 | 41.51307291 | 5.893957685 | 152.2298845 | 54.38176837 | 7.059210392 | 0.0 | 0 | 2016_Hickey | 1836 | null | 209.51 | null | 540.332114 | 0.0 | 93.78070778 | -4.923488489 | -11.32753631 | -34.56749498 | -67.37024612 | -36.47808013 | -51.44597578 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 5 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.204421811 | null |
c0361ba31105cce5d8b91e6886b40e7c7af53a559a4f39aecd728d2c92d36af4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,836 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['T', 'Me_dL', 'Y', 'F', 'Mono13'] | 34 | 1837 | -8.4 | -8.4 | Circle | 5 | -9.44e-17 | -2.716385298 | -8.32e-17 | -2.926818517 | 5.78e-17 | -1.134072546 | 1.61e-15 | -0.249265641 | 3.067407796 | 4268.353098 | 180.0 | null | null | 94.84797029 | 88.39648149 | 27.39648149 | 51.41917305 | 44.26326648 | 14.21070193 | 9.856462244 | 9.856462244 | 5.832267151 | 5.832267151 | 3.648597694 | 3.648597694 | null | null | null | null | 295.9888519 | 26.20874666 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 57.73382508 | 791.4581619 | 1.0 | 1.684210526 | 2.298245614 | 0.571428571 | 156.0 | PEPTIDE1837{T.[Me_dL].Y.F.[Mono13]}$PEPTIDE1837,PEPTIDE1837,1:R1-5:R2$$$ | PEPTIDE1837{<a href="/monomers/T/">T</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono13/">[Mono13]</a>}$PEPTIDE1837,PEPTIDE1837,1:R1-5:R2$$$ | -5.02 | 57 | 730.503 | 1837 | null | null | 3.07e+38 | 10.0431449 | 19.41944393 | 12.23520155 | 421.418501 | null | 16.57522064 | 0.507966645 | 16.57522064 | 0.29309207 | 1.779220555 | 0.29309207 | -7.147991516 | -0.507966645 | 1.1517 | 214.4591 | 791.991 | Circle | 5 | 5 | null | 7 | 15 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 9 | 7 | 15 | 0 | 15 | 0 | 2 | 2 | 312 | c*[PT-DMeLeu-YF] (17) | -8.4 | 2.099313045 | 1.07469275 | 41.66659288 | 35.83897418 | 7.059210392 | 36.87427803 | 1.431199657 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 56.00071519 | 88.98079306 | 75.97866853 | 41.41869842 | 216.13 | -8.4 | null | null | null | null | null | null | null | null | 91.1 | null | 4 | CC(C)C[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)[C@@H](C(=O)NC(C)(C)C)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C | 120.0650119 | 35.44307838 | 2.862399314 | 36.34888623 | 5.893957685 | 133.5720599 | 13.47268658 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['T', 'Me_dL', 'Y', 'F', 'Mono13'] | [-0.1918000000000002, 1.1616, 0.7215999999999996, 1.0159999999999998, 0.5409000000000008] | [38.33, 20.31, 49.33, 29.1, 61.440000000000005] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 125.5397907 | 41.51307291 | 5.893957685 | 152.2298845 | 54.38176837 | 7.059210392 | 0.0 | 0 | 2016_Hickey | 1837 | null | 209.51 | null | 540.332114 | 0.0 | 93.78070778 | -4.923488489 | -11.32753631 | -34.56749498 | -67.37024612 | -36.47808013 | -51.44597578 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 5 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.204421811 | null |
5a0d213da6e9588dae1fea744714bac7ba4462eae7c347d011853df63fee5dcf | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,837 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['T', 'Me_dL', 'dY', 'F', 'Mono13'] | 35 | 1838 | -6.1 | -6.1 | Circle | 6 | -9.44e-17 | -2.716385298 | -8.32e-17 | -2.926818517 | 5.78e-17 | -1.134072546 | 1.61e-15 | -0.249265641 | 3.067407796 | 4268.353098 | 167.0 | null | null | 94.84797029 | 88.39648149 | 27.39648149 | 51.41917305 | 44.26326648 | 14.21070193 | 9.856462244 | 9.856462244 | 5.832267151 | 5.832267151 | 3.648597694 | 3.648597694 | null | null | null | null | 295.9888519 | 26.20874666 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 57.73382508 | 791.4581619 | 1.0 | 1.684210526 | 2.298245614 | 0.571428571 | 181.0 | PEPTIDE1838{T.[Me_dL].[dY].F.[Mono13]}$PEPTIDE1838,PEPTIDE1838,1:R1-5:R2$$$ | PEPTIDE1838{<a href="/monomers/T/">T</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dY/">[dY]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Mono13/">[Mono13]</a>}$PEPTIDE1838,PEPTIDE1838,1:R1-5:R2$$$ | -5.02 | 57 | 730.503 | 1838 | null | null | 3.07e+38 | 10.0431449 | 19.41944393 | 12.23520155 | 421.418501 | null | 16.57522064 | 0.507966645 | 16.57522064 | 0.29309207 | 1.779220555 | 0.29309207 | -7.147991516 | -0.507966645 | 1.1517 | 214.4591 | 791.991 | Circle | 5 | 5 | null | 7 | 15 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 9 | 7 | 15 | 0 | 15 | 0 | 2 | 2 | 312 | c*[PT-DMeLeu-DTyr-F] (18) | -6.1 | 2.099313045 | 1.07469275 | 41.66659288 | 35.83897418 | 7.059210392 | 36.87427803 | 1.431199657 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 56.00071519 | 88.98079306 | 75.97866853 | 41.41869842 | 204.61 | -6.1 | null | null | null | null | null | null | null | null | 91.5 | null | 4 | CC(C)C[C@@H]1C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)[C@@H](C(=O)NC(C)(C)C)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C | 120.0650119 | 35.44307838 | 2.862399314 | 36.34888623 | 5.893957685 | 133.5720599 | 13.47268658 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['T', 'Me_dL', 'dY', 'F', 'Mono13'] | [-0.1918000000000002, 1.1616, 0.7215999999999996, 1.0159999999999998, 0.5409000000000008] | [38.33, 20.31, 49.33, 29.1, 61.440000000000005] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 125.5397907 | 41.51307291 | 5.893957685 | 152.2298845 | 54.38176837 | 7.059210392 | 0.0 | 0 | 2016_Hickey | 1838 | null | 209.51 | null | 540.332114 | 0.0 | 93.78070778 | -4.923488489 | -11.32753631 | -34.56749498 | -67.37024612 | -36.47808013 | -51.44597578 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 5 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.204421811 | null |
15ed5cf7a840fd83394dc767ebf1e9a176fa2ef0e2dd2f956931ecaac6a86cf6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,838 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['T', 'Me_dL', 'dY', 'meF', 'Mono13'] | 37 | 1839 | -5.4 | -5.4 | Circle | 8 | -1.28e-16 | -2.71859309 | -1.2e-16 | -2.923377988 | 4.33e-17 | -1.134081161 | 1.42e-15 | -0.249265686 | 3.146120583 | 4376.684942 | 154.0 | null | null | 97.34797029 | 90.89648149 | 27.89648149 | 52.63049792 | 45.53965969 | 14.43430872 | 10.08006904 | 10.08006904 | 6.045615796 | 6.045615796 | 3.777321167 | 3.777321167 | null | null | null | null | 302.5547752 | 27.53842169 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 59.10458364 | 805.473812 | 0.982758621 | 1.689655172 | 2.327586207 | 0.581395349 | 158.0 | PEPTIDE1839{T.[Me_dL].[dY].[meF].[Mono13]}$PEPTIDE1839,PEPTIDE1839,1:R1-5:R2$$$ | PEPTIDE1839{<a href="/monomers/T/">T</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dY/">[dY]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono13/">[Mono13]</a>}$PEPTIDE1839,PEPTIDE1839,1:R1-5:R2$$$ | -5.02 | 58 | 742.514 | 1839 | null | null | 6.449999999999999e+39 | 10.11198869 | 19.61955155 | 11.77857383 | 430.745299 | null | 17.02307459 | 0.507966645 | 17.02307459 | 0.29309207 | 1.832924258 | 0.29309207 | -7.247242154 | -0.507966645 | 1.4939 | 219.0864 | 806.018 | Circle | 5 | 5 | null | 6 | 15 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 9 | 6 | 15 | 0 | 16 | 0 | 2 | 2 | 318 | c*[PT-DMeLeu-DTyr-MePhe] (19) | -5.4 | 1.886371564 | 1.200871484 | 41.25668926 | 35.83897418 | 5.647368313 | 36.87427803 | 1.431199657 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 56.00071519 | 88.98079306 | 87.0667711 | 41.41869842 | 198.36 | -5.4 | null | null | null | null | null | null | null | null | 92.9 | null | 4 | CC(C)C[C@@H]1C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)[C@@H](C(=O)NC(C)(C)C)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C | 122.7654455 | 35.44307838 | 2.862399314 | 35.93898261 | 5.893957685 | 133.5720599 | 20.44851348 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['T', 'Me_dL', 'dY', 'meF', 'Mono13'] | [-0.1918000000000002, 1.1616, 0.7215999999999996, 1.3581999999999996, 0.5409000000000008] | [38.33, 20.31, 49.33, 20.31, 61.440000000000005] | 21.23925341 | 0.0 | 5.749511833 | 0.0 | 137.4155273 | 41.51307291 | 5.893957685 | 156.3421602 | 54.38176837 | 5.647368313 | 0.0 | 0 | 2016_Hickey | 1839 | null | 200.72 | null | 560.756593 | 0.0 | 92.36003165 | -2.718470939 | -11.61070426 | -35.32498706 | -69.03123141 | -37.09458395 | -58.08664699 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.228919593 | null |
cc7f904d887f1b2095748f7ee5de225ad1fcb791b1093c090bb95a3b9132615c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,840 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dF', 'P', 'F', 'dL', 'L'] | 32 | 1841 | -4.41 | -4.41 | Circle | 6 | -2.16e-16 | -2.711552506 | -1.86e-16 | -2.894083817 | -1.32e-16 | -1.135601099 | 1.21e-15 | -0.249287768 | 2.935854608 | 4060.068063 | 135.0 | null | null | 89.35640646 | 83.63277132 | 25.63277132 | 48.20448267 | 42.11770122 | 13.38163324 | 8.928786763 | 8.928786763 | 5.274513502 | 5.274513502 | 3.29787021 | 3.29787021 | null | null | null | null | 284.4510595 | 28.99134729 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 50.71806658 | 730.4417836 | 0.660377358 | 1.037735849 | 1.471698113 | 0.56097561 | 136.0 | PEPTIDE1841{L.[dF].P.F.[dL].L}$PEPTIDE1841,PEPTIDE1841,1:R1-6:R2$$$ | PEPTIDE1841{<a href="/monomers/L/">L</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>}$PEPTIDE1841,PEPTIDE1841,1:R1-6:R2$$$ | -4.74 | 53 | 672.487 | 1841 | null | null | 1.41e+34 | 9.029264178 | 19.36908298 | 12.15091692 | 395.3170057 | -4.41 | 16.42303987 | 0.342510744 | 16.42303987 | 0.245675543 | 1.713983877 | 0.245675543 | -6.86146274 | -0.342510744 | 3.0387 | 203.0455 | 730.951 | Circle | 6 | 6 | null | 5 | 12 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 6 | 5 | 12 | 0 | 16 | 0 | 2 | 2 | 288 | PhePropeptin B(2) | null | 3.529136578 | 1.021181041 | 31.4489765 | 36.10735481 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 101.5355398 | 60.67340055 | 69.96077607 | 21.9321369 | null | -4.41 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O | 108.476637 | 35.44307838 | 0.0 | 31.4489765 | 17.68187306 | 121.8291818 | 6.496859684 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['L', 'dF', 'P', 'F', 'dL', 'L'] | [0.8193999999999995, 1.0159999999999998, 0.2794999999999998, 1.0159999999999998, 0.8193999999999995, 0.8193999999999995] | [29.1, 29.1, 20.31, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 82.9472026 | 41.51307291 | 17.68187306 | 156.7530837 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2016_Schwochert | 1841 | null | 165.81 | null | 509.0249199 | 0.0 | 95.1249137 | -12.66731522 | -5.18591971 | -43.71196855 | -59.8047413 | -41.88093911 | -38.14894975 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.252294155 | null |
e27e0134790efe4578085e60d249604ad2af7fdb07f2bb62f13e0a12502ce0fe | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,841 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'F', 'P', 'L', 'L', 'I'] | 30 | 1842 | -4.4 | -4.4 | Circle | 1 | -2.59e-16 | -2.720373544 | -2.24e-16 | -2.900537063 | -2.5e-16 | -1.135386854 | 6.18e-16 | -0.249287767 | 3.613698822 | 3794.141133 | 137.0 | null | null | 89.39230485 | 84.13277132 | 24.13277132 | 47.27905619 | 42.11770122 | 12.38163324 | 8.303786763 | 8.303786763 | 4.892915201 | 4.892915201 | 3.007586578 | 3.007586578 | null | null | null | null | 268.2732564 | 22.13755451 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 60.31337647 | 696.4574336 | 0.78 | 1.3 | 1.84 | 0.684210526 | 142.0 | PEPTIDE1842{L.F.P.L.L.I}$PEPTIDE1842,PEPTIDE1842,1:R1-6:R2$$$ | PEPTIDE1842{<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/I/">I</a>}$PEPTIDE1842,PEPTIDE1842,1:R1-6:R2$$$ | -3.96 | 50 | 636.454 | 1842 | null | null | 1.44e+34 | 8.001343729 | 18.8696738 | 11.55100437 | 382.1646788 | -4.4 | 16.36894331 | 0.342510743 | 16.36894331 | 0.245675543 | 1.757755104 | 0.245675543 | -6.996232395 | -0.342510743 | 2.8421 | 192.3545 | 696.934 | Circle | 6 | 6 | null | 5 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 5 | 12 | 0 | 18 | 0 | 2 | 2 | 278 | PhePropeptin C(3) | null | 3.328135695 | -0.537916692 | 31.4489765 | 36.10735481 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 91.40015538 | 61.00390674 | 73.18316106 | 15.07834412 | null | -4.4 | null | null | null | null | null | null | null | null | null | null | 3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O | 111.2181541 | 35.44307838 | 0.0 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['L', 'F', 'P', 'L', 'L', 'I'] | [0.8193999999999995, 1.0159999999999998, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999999] | [29.1, 29.1, 20.31, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 82.9472026 | 35.14014801 | 23.57583074 | 174.0078584 | 30.21209354 | 7.059210392 | 0.0 | 0 | 2016_Schwochert | 1842 | null | 165.81 | null | 521.8940198 | 0.0 | 94.76128168 | -13.34200924 | -2.656290328 | -51.16986464 | -50.79907856 | -42.50838138 | -49.67967735 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.252518118 | null |
f7c109b961c5095034010c3ec5abeffa167bd64cf72857a09f457b123e3e9982 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,842 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dF', 'P', 'F', 'dL', 'I'] | 32 | 1843 | -4.4 | -4.4 | Circle | 5 | -2.49e-16 | -2.716437532 | -1.46e-16 | -2.900049586 | -8.54e-17 | -1.134647472 | 8.59e-16 | -0.249287762 | 2.951402952 | 4076.068063 | 142.0 | null | null | 89.35640646 | 83.63277132 | 25.63277132 | 48.20448267 | 42.11770122 | 13.38163324 | 8.928786763 | 8.928786763 | 5.392915201 | 5.392915201 | 3.320086578 | 3.320086578 | null | null | null | null | 284.4510595 | 27.62058873 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 52.08882513 | 730.4417836 | 0.735849057 | 1.245283019 | 1.811320755 | 0.56097561 | 138.0 | PEPTIDE1843{L.[dF].P.F.[dL].I}$PEPTIDE1843,PEPTIDE1843,1:R1-6:R2$$$ | PEPTIDE1843{<a href="/monomers/L/">L</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/I/">I</a>}$PEPTIDE1843,PEPTIDE1843,1:R1-6:R2$$$ | -4.74 | 53 | 672.487 | 1843 | null | null | 2.8500000000000003e+34 | 9.029264178 | 19.36908298 | 11.62416826 | 395.3170057 | -4.4 | 16.43415365 | 0.342501559 | 16.43415365 | 0.245675543 | 1.716899835 | 0.245675543 | -6.932296073 | -0.342501559 | 3.0387 | 203.0455 | 730.951 | Circle | 6 | 6 | null | 5 | 12 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 6 | 5 | 12 | 0 | 16 | 0 | 2 | 2 | 288 | PhePropeptin D(4) | null | 3.691589235 | 0.974243206 | 31.4489765 | 36.10735481 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 107.9084647 | 54.30047564 | 69.96077607 | 21.9321369 | null | -4.4 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O | 108.476637 | 35.44307838 | 0.0 | 31.4489765 | 17.68187306 | 121.8291818 | 6.496859684 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['L', 'dF', 'P', 'F', 'dL', 'I'] | [0.8193999999999995, 1.0159999999999998, 0.2794999999999998, 1.0159999999999998, 0.8193999999999995, 0.8193999999999999] | [29.1, 29.1, 20.31, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 82.9472026 | 41.51307291 | 17.68187306 | 156.7530837 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2016_Schwochert | 1843 | null | 165.81 | null | 509.6657679 | 0.0 | 95.33244212 | -12.739196 | -5.196565266 | -44.3749287 | -59.99180294 | -41.41317966 | -38.5325375 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.252294155 | null |
d54754fd7d4a8565650652e3f34a0472b2a9802c1ca44661084e7d82983aa3a3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,843 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dF', 'dP', 'L', 'dL', 'L'] | 33 | 1844 | -5.1 | -5.1 | Circle | 8 | -2.63e-16 | -2.71633506 | -1.92e-16 | -2.89470207 | -2.18e-16 | -1.135790753 | -9.34e-17 | -0.24928777 | 3.594374539 | 3778.141133 | 127.0 | null | null | 89.39230485 | 84.13277132 | 24.13277132 | 47.27905619 | 42.11770122 | 12.38163324 | 8.303786763 | 8.303786763 | 4.774513502 | 4.774513502 | 2.98537021 | 2.98537021 | null | null | null | null | 268.2732564 | 17.9431118 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 64.50781918 | 696.4574336 | 0.7 | 1.08 | 1.48 | 0.684210526 | 126.0 | PEPTIDE1844{L.[dF].[dP].L.[dL].L}$PEPTIDE1844,PEPTIDE1844,1:R1-6:R2$$$ | PEPTIDE1844{<a href="/monomers/L/">L</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>}$PEPTIDE1844,PEPTIDE1844,1:R1-6:R2$$$ | -3.96 | 50 | 636.454 | 1844 | null | null | 3.57e+32 | 8.001343729 | 18.8696738 | 12.12105808 | 382.1646788 | -5.1 | 16.35782954 | 0.342510744 | 16.35782954 | 0.245675543 | 1.754839146 | 0.245675543 | -6.925399062 | -0.342510744 | 2.8421 | 192.3545 | 696.934 | Circle | 6 | 6 | null | 5 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 5 | 12 | 0 | 18 | 0 | 2 | 2 | 278 | E[-pip]hepropeptins A(5) | null | 3.151093283 | -0.524227207 | 31.4489765 | 36.10735481 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 85.02723048 | 67.37683164 | 73.18316106 | 15.07834412 | null | -5.1 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O | 111.2181541 | 35.44307838 | 0.0 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['L', 'dF', 'dP', 'L', 'dL', 'L'] | [0.8193999999999995, 1.0159999999999998, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995] | [29.1, 29.1, 20.31, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 82.9472026 | 35.14014801 | 23.57583074 | 174.0078584 | 30.21209354 | 7.059210392 | 0.0 | 0 | 2016_Schwochert | 1844 | null | 165.81 | null | 521.2530348 | 0.0 | 94.55375327 | -13.27012846 | -2.65096755 | -50.4915365 | -50.63056916 | -42.98490193 | -49.27868449 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.252518118 | null |
3f78e2d044f90f3788d110d7e77866e7947c51dc224ad3dbb7c5349e3d70689b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,844 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dF', 'dP', 'F', 'dL', 'L'] | 33 | 1845 | -4.96 | -4.96 | Circle | 4 | -2.16e-16 | -2.711552506 | -1.86e-16 | -2.894083817 | -1.32e-16 | -1.135601099 | 1.21e-15 | -0.249287768 | 2.935854608 | 4060.068063 | 137.0 | null | null | 89.35640646 | 83.63277132 | 25.63277132 | 48.20448267 | 42.11770122 | 13.38163324 | 8.928786763 | 8.928786763 | 5.274513502 | 5.274513502 | 3.29787021 | 3.29787021 | null | null | null | null | 284.4510595 | 28.99134729 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 50.71806658 | 730.4417836 | 0.660377358 | 1.037735849 | 1.471698113 | 0.56097561 | 137.0 | PEPTIDE1845{L.[dF].[dP].F.[dL].L}$PEPTIDE1845,PEPTIDE1845,1:R1-6:R2$$$ | PEPTIDE1845{<a href="/monomers/L/">L</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>}$PEPTIDE1845,PEPTIDE1845,1:R1-6:R2$$$ | -4.74 | 53 | 672.487 | 1845 | null | null | 1.41e+34 | 9.029264178 | 19.36908298 | 12.15091692 | 395.3170057 | -4.96 | 16.42303987 | 0.342510744 | 16.42303987 | 0.245675543 | 1.713983877 | 0.245675543 | -6.86146274 | -0.342510744 | 3.0387 | 203.0455 | 730.951 | Circle | 6 | 6 | null | 5 | 12 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 6 | 5 | 12 | 0 | 16 | 0 | 2 | 2 | 288 | E[-pip]hepropeptins B(6) | null | 3.529136578 | 1.021181041 | 31.4489765 | 36.10735481 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 101.5355398 | 60.67340055 | 69.96077607 | 21.9321369 | null | -4.96 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O | 108.476637 | 35.44307838 | 0.0 | 31.4489765 | 17.68187306 | 121.8291818 | 6.496859684 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['L', 'dF', 'dP', 'F', 'dL', 'L'] | [0.8193999999999995, 1.0159999999999998, 0.2794999999999998, 1.0159999999999998, 0.8193999999999995, 0.8193999999999995] | [29.1, 29.1, 20.31, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 82.9472026 | 41.51307291 | 17.68187306 | 156.7530837 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2016_Schwochert | 1845 | null | 165.81 | null | 509.0249199 | 0.0 | 95.1249137 | -12.66731522 | -5.18591971 | -43.71196855 | -59.8047413 | -41.88093911 | -38.14894975 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.252294155 | null |
763eba80e0423f8ff768dd9d330f1385f78141c9b81ef70e69cda27c8bcae5ce | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,845 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'F', 'dP', 'L', 'L', 'I'] | 31 | 1846 | -4.82 | -4.82 | Circle | 8 | -2.59e-16 | -2.720373544 | -2.24e-16 | -2.900537063 | -2.5e-16 | -1.135386854 | 6.18e-16 | -0.249287767 | 3.613698822 | 3794.141133 | 142.0 | null | null | 89.39230485 | 84.13277132 | 24.13277132 | 47.27905619 | 42.11770122 | 12.38163324 | 8.303786763 | 8.303786763 | 4.892915201 | 4.892915201 | 3.007586578 | 3.007586578 | null | null | null | null | 268.2732564 | 22.13755451 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 60.31337647 | 696.4574336 | 0.78 | 1.3 | 1.84 | 0.684210526 | 142.0 | PEPTIDE1846{L.F.[dP].L.L.I}$PEPTIDE1846,PEPTIDE1846,1:R1-6:R2$$$ | PEPTIDE1846{<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/I/">I</a>}$PEPTIDE1846,PEPTIDE1846,1:R1-6:R2$$$ | -3.96 | 50 | 636.454 | 1846 | null | null | 1.44e+34 | 8.001343729 | 18.8696738 | 11.55100437 | 382.1646788 | -4.82 | 16.36894331 | 0.342510743 | 16.36894331 | 0.245675543 | 1.757755104 | 0.245675543 | -6.996232395 | -0.342510743 | 2.8421 | 192.3545 | 696.934 | Circle | 6 | 6 | null | 5 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 5 | 12 | 0 | 18 | 0 | 2 | 2 | 278 | E[-pip]hepropeptins C(7) | null | 3.328135695 | -0.537916692 | 31.4489765 | 36.10735481 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 91.40015538 | 61.00390674 | 73.18316106 | 15.07834412 | null | -4.82 | null | null | null | null | null | null | null | null | null | null | 3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O | 111.2181541 | 35.44307838 | 0.0 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['L', 'F', 'dP', 'L', 'L', 'I'] | [0.8193999999999995, 1.0159999999999998, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999999] | [29.1, 29.1, 20.31, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 82.9472026 | 35.14014801 | 23.57583074 | 174.0078584 | 30.21209354 | 7.059210392 | 0.0 | 0 | 2016_Schwochert | 1846 | null | 165.81 | null | 521.8940198 | 0.0 | 94.76128168 | -13.34200924 | -2.656290328 | -51.16986464 | -50.79907856 | -42.50838138 | -49.67967735 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.252518118 | null |
5ff0ed926b19c312efc388dfa9ac09138b938c020c9f03893621f576e1e7d990 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,846 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dF', 'dP', 'F', 'dL', 'I'] | 33 | 1847 | -4.74 | -4.74 | Circle | 7 | -2.49e-16 | -2.716437532 | -1.46e-16 | -2.900049586 | -8.54e-17 | -1.134647472 | 8.59e-16 | -0.249287762 | 2.951402952 | 4076.068063 | 140.0 | null | null | 89.35640646 | 83.63277132 | 25.63277132 | 48.20448267 | 42.11770122 | 13.38163324 | 8.928786763 | 8.928786763 | 5.392915201 | 5.392915201 | 3.320086578 | 3.320086578 | null | null | null | null | 284.4510595 | 27.62058873 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 52.08882513 | 730.4417836 | 0.735849057 | 1.245283019 | 1.811320755 | 0.56097561 | 134.0 | PEPTIDE1847{L.[dF].[dP].F.[dL].I}$PEPTIDE1847,PEPTIDE1847,1:R1-6:R2$$$ | PEPTIDE1847{<a href="/monomers/L/">L</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/I/">I</a>}$PEPTIDE1847,PEPTIDE1847,1:R1-6:R2$$$ | -4.74 | 53 | 672.487 | 1847 | null | null | 2.8500000000000003e+34 | 9.029264178 | 19.36908298 | 11.62416826 | 395.3170057 | -4.74 | 16.43415365 | 0.342501559 | 16.43415365 | 0.245675543 | 1.716899835 | 0.245675543 | -6.932296073 | -0.342501559 | 3.0387 | 203.0455 | 730.951 | Circle | 6 | 6 | null | 5 | 12 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 6 | 5 | 12 | 0 | 16 | 0 | 2 | 2 | 288 | E[-pip]hepropeptins D(8) | null | 3.691589235 | 0.974243206 | 31.4489765 | 36.10735481 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 107.9084647 | 54.30047564 | 69.96077607 | 21.9321369 | null | -4.74 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O | 108.476637 | 35.44307838 | 0.0 | 31.4489765 | 17.68187306 | 121.8291818 | 6.496859684 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['L', 'dF', 'dP', 'F', 'dL', 'I'] | [0.8193999999999995, 1.0159999999999998, 0.2794999999999998, 1.0159999999999998, 0.8193999999999995, 0.8193999999999999] | [29.1, 29.1, 20.31, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 82.9472026 | 41.51307291 | 17.68187306 | 156.7530837 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2016_Schwochert | 1847 | null | 165.81 | null | 509.6657679 | 0.0 | 95.33244212 | -12.739196 | -5.196565266 | -44.3749287 | -59.99180294 | -41.41317966 | -38.5325375 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.252294155 | null |
32fd5ad198fe996d847d9f4e6eba0b7045eefe4cac66cfafdb869c37d7c5390f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,847 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['W', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | 48 | 1848 | -6.05 | -6.05 | Circle | 1 | 5.62e-17 | -2.662633849 | 3.09e-16 | -2.882885786 | 1.419232444 | -1.036192658 | 10.56134319 | -0.186098794 | 1.797281921 | 5773.087841 | 137.0 | null | null | 101.1105186 | 93.52719851 | 33.52719851 | 57.42525023 | 47.98573521 | 18.24966723 | 12.06001735 | 12.06001735 | 7.670151503 | 7.670151503 | 4.810443459 | 4.810443459 | null | null | null | 104.0 | 368.8981058 | 45.39936644 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 37.05156454 | 928.4635816 | 0.637681159 | 1.217391304 | 1.927536232 | 0.327272727 | 136.0 | PEPTIDE1848{W.[3Pal].[dP].[PhPr_Gly].[Nva(Ph)].[dF]}$PEPTIDE1848,PEPTIDE1848,1:R1-6:R2$$$ | PEPTIDE1848{<a href="/monomers/W/">W</a>.<a href="/monomers/3Pal/">[3Pal]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/PhPr_Gly/">[PhPr_Gly]</a>.<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1848,PEPTIDE1848,1:R1-6:R2$$$ | -7.61 | 69 | 868.655 | 1848 | null | null | 8.26e+42 | 13.58204906 | 23.40916822 | 12.88892072 | 486.7939632 | null | 16.95382412 | 0.360888473 | 16.95382412 | 0.24567669 | 0.621125509 | 0.24567669 | -6.653231406 | -0.360888473 | 5.0189 | 263.2705 | 929.135 | Circle | 6 | 6 | null | 5 | 14 | null | null | 0 | 2 | 2 | 4 | 2 | 6 | 7 | 5 | 14 | 0 | 14 | 0 | 2 | 2 | 356 | Compd.14 | null | 5.09434137 | 10.84132872 | 36.01607615 | 30.08946234 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 33.75120163 | 0.0 | 0.0 | 0.0 | 114.8059554 | 84.51256918 | 94.43230999 | 48.99037493 | null | -6.05 | null | null | null | null | null | -6.05 | null | null | null | null | 8 | O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 | 111.2181541 | 46.34600331 | 0.0 | 41.00005467 | 0.0 | 93.81871136 | 19.49057905 | 173.226736 | 0 | 0.0 | null | null | null | null | ['W', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | [1.4972999999999994, 0.4109999999999996, 0.2794999999999998, 1.7498999999999998, 1.7961999999999996, 1.0159999999999998] | [44.89, 41.99, 20.31, 20.31, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 104.783921 | 60.63184761 | 0.0 | 135.0736026 | 145.4094785 | 7.059210392 | 10.90292493 | 0 | 2017_Boehm | 1848 | null | 185.7 | null | 548.6666248 | 0.0 | 98.52731922 | -11.21632682 | -13.77268143 | -25.28953937 | -71.82987916 | -63.35412067 | -18.56472996 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 5 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.101612361 | null |
39c91ae7aa215b5f76a6bdba965dfb647ef65360da2652f64ff36fd704023081 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,848 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Nva(Ph)', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | 54 | 1849 | -5.92 | -5.92 | Circle | 6 | -4.57e-17 | -2.669145356 | 1.06e-16 | -2.882219166 | 5.48e-16 | -1.036232214 | 10.2097085 | -0.186136657 | 1.977439945 | 5590.19129 | 142.0 | null | null | 103.3784678 | 96.07998491 | 33.07998491 | 58.01456662 | 49.09130802 | 17.80245364 | 11.48780376 | 11.48780376 | 7.097937908 | 7.097937908 | 4.328680713 | 4.328680713 | null | null | null | 90.0 | 365.6335509 | 45.39936644 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 41.12275669 | 917.4839827 | 0.573529412 | 1.044117647 | 1.632352941 | 0.363636364 | 138.0 | PEPTIDE1849{[Nva(Ph)].[3Pal].[dP].[PhPr_Gly].[Nva(Ph)].[dF]}$PEPTIDE1849,PEPTIDE1849,1:R1-6:R2$$$ | PEPTIDE1849{<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</a>.<a href="/monomers/3Pal/">[3Pal]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/PhPr_Gly/">[PhPr_Gly]</a>.<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1849,PEPTIDE1849,1:R1-6:R2$$$ | -7.15 | 68 | 854.648 | 1849 | null | null | 1.69e+44 | 12.92721536 | 25.11349898 | 14.42433368 | 487.7898773 | null | 16.92326011 | 0.342766384 | 16.92326011 | 0.245676689 | 1.593304566 | 0.245676689 | -6.759861679 | -0.342766384 | 5.3178 | 260.6478 | 918.152 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 4 | 1 | 5 | 7 | 4 | 13 | 0 | 16 | 0 | 2 | 2 | 354 | Compd.15 | null | 3.911937224 | 7.462346427 | 31.03907287 | 30.08946234 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 33.75120163 | 0.0 | 0.0 | 0.0 | 126.8907929 | 97.58892518 | 76.46659917 | 48.99037493 | null | -5.92 | null | null | null | null | null | -5.92 | null | null | null | null | 7 | O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 | 115.2893462 | 35.44307838 | 0.0 | 36.0230514 | 0.0 | 106.5645612 | 19.49057905 | 173.0962594 | 0 | 0.0 | null | null | null | null | ['Nva(Ph)', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | [1.7961999999999996, 0.4109999999999996, 0.2794999999999998, 1.7498999999999998, 1.7961999999999996, 1.0159999999999998] | [29.1, 41.99, 20.31, 20.31, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 99.80691775 | 60.63184761 | 0.0 | 153.3024866 | 145.279002 | 5.647368313 | 0.0 | 0 | 2017_Boehm | 1849 | null | 169.91 | null | 573.1403584 | 0.0 | 98.7547155 | -9.90046512 | -12.26996705 | -25.99978504 | -75.97891246 | -73.68866043 | -18.7239505 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.103960324 | null |
8a2927f4139b0138a50e9444ce01d236dbe9fbc598ef914cee772c64dcc6aa92 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,849 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Hph', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | 50 | 1850 | -5.74 | -5.74 | Circle | 6 | -7.17e-17 | -2.665052001 | 1.61e-16 | -2.882421318 | 1.37e-15 | -1.036193181 | 10.28932983 | -0.186098887 | 1.972158053 | 5472.758872 | 132.0 | null | null | 100.8784678 | 93.57998491 | 32.57998491 | 56.76456662 | 47.84130802 | 17.55245364 | 11.36280376 | 11.36280376 | 7.035437908 | 7.035437908 | 4.297430713 | 4.297430713 | null | null | null | 89.0 | 359.260626 | 42.65784933 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 41.12275669 | 903.4683327 | 0.582089552 | 1.089552239 | 1.731343284 | 0.351851852 | 129.0 | PEPTIDE1850{[Hph].[3Pal].[dP].[PhPr_Gly].[Nva(Ph)].[dF]}$PEPTIDE1850,PEPTIDE1850,1:R1-6:R2$$$ | PEPTIDE1850{<a href="/monomers/Hph/">[Hph]</a>.<a href="/monomers/3Pal/">[3Pal]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/PhPr_Gly/">[PhPr_Gly]</a>.<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1850,PEPTIDE1850,1:R1-6:R2$$$ | -7.15 | 67 | 842.637 | 1850 | null | null | 7.89e+42 | 12.88178795 | 24.39591047 | 14.17148394 | 478.6149942 | null | 16.87387364 | 0.342766384 | 16.87387364 | 0.245676689 | 1.580821024 | 0.245676689 | -6.681730624 | -0.342766384 | 4.9277 | 256.0308 | 904.125 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 4 | 1 | 5 | 7 | 4 | 13 | 0 | 15 | 0 | 2 | 2 | 348 | Compd.16 | null | 4.274854133 | 7.428264421 | 31.03907287 | 30.08946234 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 33.75120163 | 0.0 | 0.0 | 0.0 | 126.8907929 | 91.21600028 | 73.72508205 | 48.99037493 | null | -5.74 | null | null | null | null | null | -5.74 | null | null | null | null | 7 | O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 | 112.5478291 | 35.44307838 | 0.0 | 36.0230514 | 0.0 | 100.1916363 | 19.49057905 | 173.0962594 | 0 | 0.0 | null | null | null | null | ['Hph', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | [1.4060999999999997, 0.4109999999999996, 0.2794999999999998, 1.7498999999999998, 1.7961999999999996, 1.0159999999999998] | [29.1, 41.99, 20.31, 20.31, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 99.80691775 | 60.63184761 | 0.0 | 144.1880446 | 145.279002 | 5.647368313 | 0.0 | 0 | 2017_Boehm | 1850 | null | 169.91 | null | 554.5452165 | 0.0 | 98.52883683 | -9.662569929 | -12.2442215 | -25.65814763 | -75.51241306 | -67.28801766 | -18.6253502 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.115603462 | null |
e62248fd1dbd79c6693787292fd2f457d367ea98e1c06da77d22550459bb8935 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,850 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tza', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | 50 | 1851 | -6.15 | -6.15 | Circle | 6 | 1.69e-17 | -2.662438002 | 3.7e-16 | -2.883008391 | 1.376233383 | -1.036192351 | 10.57672595 | -0.186098542 | 1.92941831 | 5170.367966 | 156.0 | null | null | 95.06063057 | 87.4354468 | 32.25194338 | 53.74884231 | 44.6967699 | 17.7244121 | 10.99362519 | 11.58444767 | 6.817135718 | 7.295121142 | 4.191294089 | 4.56721744 | null | null | null | 89.0 | 344.9855753 | 39.91633222 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 9.967957042 | 37.01048102 | 896.4043525 | 0.692307692 | 1.276923077 | 1.938461538 | 0.36 | 156.0 | PEPTIDE1851{[Tza].[3Pal].[dP].[PhPr_Gly].[Nva(Ph)].[dF]}$PEPTIDE1851,PEPTIDE1851,1:R1-6:R2$$$ | PEPTIDE1851{<a href="/monomers/Tza/">[Tza]</a>.<a href="/monomers/3Pal/">[3Pal]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/PhPr_Gly/">[PhPr_Gly]</a>.<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1851,PEPTIDE1851,1:R1-6:R2$$$ | -6.74 | 65 | 840.667 | 1851 | null | null | 1.5499999999999998e+39 | 13.20780866 | 23.26606586 | 13.3932096 | 462.0852108 | null | 16.75545536 | 0.342766384 | 16.75545536 | 0.24567669 | 0.428228193 | 0.24567669 | -6.563938265 | -0.342766384 | 3.9941 | 247.0858 | 897.115 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 3 | 2 | 5 | 9 | 4 | 15 | 0 | 14 | 0 | 2 | 2 | 338 | Compd.17 | null | 5.542713523 | 8.596018571 | 31.03907287 | 30.08946234 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 33.75120163 | 4.983978521 | 0.0 | 11.33678588 | 96.67869932 | 72.90669898 | 82.71260425 | 56.05861816 | null | -6.15 | null | null | null | null | null | -6.15 | null | null | null | null | 7 | O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 | 105.6940363 | 46.77986425 | 0.0 | 41.00702992 | 0.0 | 93.81871136 | 19.49057905 | 153.8573477 | 0 | 0.0 | null | null | null | null | ['Tza', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | [0.4724999999999997, 0.4109999999999996, 0.2794999999999998, 1.7498999999999998, 1.7961999999999996, 1.0159999999999998] | [41.99, 41.99, 20.31, 20.31, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 104.7908963 | 60.63184761 | 0.0 | 131.0918034 | 125.9096138 | 5.647368313 | 0.0 | 0 | 2017_Boehm | 1851 | null | 182.8 | null | 507.7028974 | -0.428228193 | 100.8650254 | -10.75053806 | -13.12384269 | -24.70916049 | -63.61251299 | -59.92025137 | -18.35672228 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.129145756 | null |
7bb88d8686d00d7406d3412e4b7910da141cc6837e389dc3d5ad22fe3756d04f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,851 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Ala(tBu)', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | 55 | 1852 | -5.32 | -5.32 | Circle | 5 | -1.08e-16 | -2.737880491 | 4.38e-17 | -2.886702286 | 3.97e-16 | -1.141610305 | 9.99059153 | -0.244322203 | 2.233966713 | 5152.411478 | 137.0 | null | null | 100.9143662 | 94.07998491 | 31.07998491 | 55.83914014 | 47.84130802 | 16.55245364 | 10.98780376 | 10.98780376 | 6.535437908 | 6.535437908 | 4.040832413 | 4.040832413 | null | null | null | 79.0 | 343.0828229 | 39.91633222 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 46.60579091 | 869.4839827 | 0.703125 | 1.265625 | 1.9375 | 0.431372549 | 143.0 | PEPTIDE1852{[Ala(tBu)].[3Pal].[dP].[PhPr_Gly].[Nva(Ph)].[dF]}$PEPTIDE1852,PEPTIDE1852,1:R1-6:R2$$$ | PEPTIDE1852{<a href="/monomers/Ala(tBu)/">[Ala(tBu)]</a>.<a href="/monomers/3Pal/">[3Pal]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/PhPr_Gly/">[PhPr_Gly]</a>.<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1852,PEPTIDE1852,1:R1-6:R2$$$ | -6.37 | 64 | 806.604 | 1852 | null | null | 3.5999999999999995e+41 | 11.70994953 | 22.82228151 | 14.06928094 | 465.4626673 | null | 16.84708234 | 0.342766384 | 16.84708234 | 0.245676689 | 1.59869874 | 0.245676689 | -6.961234624 | -0.342766384 | 4.7311 | 245.3398 | 870.108 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 7 | 4 | 13 | 0 | 13 | 0 | 2 | 2 | 338 | Compd.18 | null | 3.44978308 | 5.33985244 | 31.03907287 | 30.08946234 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 33.75120163 | 0.0 | 0.0 | 0.0 | 117.2343757 | 84.69461435 | 83.32039195 | 42.13658214 | null | -5.32 | null | null | null | null | null | -5.32 | null | null | null | null | 6 | CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC1=O | 115.2893462 | 35.44307838 | 0.0 | 36.0230514 | 5.414990469 | 114.3743877 | 19.49057905 | 137.3207144 | 0 | 0.0 | null | null | null | null | ['Ala(tBu)', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | [1.2094999999999996, 0.4109999999999996, 0.2794999999999998, 1.7498999999999998, 1.7961999999999996, 1.0159999999999998] | [29.1, 41.99, 20.31, 20.31, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 99.80691775 | 54.25892271 | 5.414990469 | 161.9217865 | 115.0669085 | 5.647368313 | 0.0 | 0 | 2017_Boehm | 1852 | null | 169.91 | null | 568.4871978 | 0.0 | 98.24479254 | -10.1911926 | -16.27037604 | -26.34938598 | -67.23498097 | -62.98767934 | -35.86504204 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.150685651 | null |
2bf0eb7abab905c4dc35b64a129634ab981a3bdb25842a4aec9f42f630eb557c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,852 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Ala(tBu)', 'Tza', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | 54 | 1853 | -5.4 | -5.4 | Circle | 4 | -1.07e-16 | -2.73770697 | 1.41e-16 | -2.886664703 | 4.93e-16 | -1.141604404 | 10.12297642 | -0.244322203 | 2.206200337 | 4993.803766 | 140.0 | null | null | 98.46677245 | 91.4882332 | 31.30472978 | 54.50093619 | 46.49955631 | 17.02719851 | 10.783215 | 11.37403747 | 6.412627221 | 6.890612645 | 3.96108899 | 4.337012342 | null | null | null | 80.0 | 340.9621628 | 39.91633222 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 43.8642738 | 875.4404037 | 0.761904762 | 1.349206349 | 1.984126984 | 0.448979592 | 138.0 | PEPTIDE1853{[Ala(tBu)].[Tza].[dP].[PhPr_Gly].[Nva(Ph)].[dF]}$PEPTIDE1853,PEPTIDE1853,1:R1-6:R2$$$ | PEPTIDE1853{<a href="/monomers/Ala(tBu)/">[Ala(tBu)]</a>.<a href="/monomers/Tza/">[Tza]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/PhPr_Gly/">[PhPr_Gly]</a>.<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1853,PEPTIDE1853,1:R1-6:R2$$$ | -5.89 | 63 | 814.649 | 1853 | null | null | 6.01e+40 | 11.86331426 | 22.457689 | 14.05605999 | 460.2930896 | null | 16.75345577 | 0.342766384 | 16.75345577 | 0.245737276 | 0.530302119 | 0.245737276 | -6.868978558 | -0.342766384 | 4.7926 | 243.2168 | 876.137 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 8 | 4 | 14 | 0 | 13 | 0 | 2 | 2 | 334 | Compd.19 | null | 3.893901568 | 5.108241111 | 31.03907287 | 30.08946234 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 111.191957 | 73.08874416 | 76.33071593 | 50.57558394 | null | -5.4 | null | null | null | null | null | -5.4 | null | null | null | null | 6 | CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O | 112.5478291 | 46.77986425 | 0.0 | 36.0230514 | 5.414990469 | 114.3743877 | 19.49057905 | 123.8632684 | 0 | 0.0 | null | null | null | null | ['Ala(tBu)', 'Tza', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'dF'] | [1.2094999999999996, 0.4724999999999997, 0.2794999999999998, 1.7498999999999998, 1.7961999999999996, 1.0159999999999998] | [29.1, 41.99, 20.31, 20.31, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 99.80691775 | 54.25892271 | 5.414990469 | 159.3107459 | 101.4789859 | 5.647368313 | 0.0 | 0 | 2017_Boehm | 1853 | null | 169.91 | null | 549.8548273 | -0.530302119 | 97.97951342 | -11.8414447 | -17.38737561 | -25.94630605 | -62.11729192 | -58.16741671 | -35.51087026 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.149795528 | null |
0adf49e73eca784b30fcd20959f6f4676dd59dc70849aa360e8e7f89b3c6da51 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,854 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Ala(tBu)', 'Tza', 'dP', 'Mono48', 'F', 'dF'] | 46 | 1855 | -5.28 | -5.28 | Circle | 9 | -8.24e-17 | -2.737532523 | 3.26e-16 | -2.887208488 | 0.685695327 | -1.141590504 | 10.5383486 | -0.244322203 | 2.191348021 | 4774.989178 | 146.0 | null | null | 93.46677245 | 85.24416215 | 31.06065873 | 52.00093619 | 43.37752078 | 16.90516298 | 10.91117947 | 11.50200194 | 6.523855017 | 7.001840441 | 4.062510881 | 4.438434232 | null | null | null | 74.0 | 327.7659172 | 28.95026377 | 37.5480532 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 46.60579091 | 883.3902599 | 0.841269841 | 1.46031746 | 2.095238095 | 0.425531915 | 147.0 | PEPTIDE1855{[Ala(tBu)].[Tza].[dP].[Mono48].F.[dF]}$PEPTIDE1855,PEPTIDE1855,1:R1-6:R2$$$ | PEPTIDE1855{<a href="/monomers/Ala(tBu)/">[Ala(tBu)]</a>.<a href="/monomers/Tza/">[Tza]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono48/">[Mono48]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1855,PEPTIDE1855,1:R1-6:R2$$$ | -6.03 | 63 | 828.623 | 1855 | null | null | 7.72e+37 | 13.0439118 | 21.36582169 | 13.23881066 | 447.4644532 | null | 16.59900723 | 0.342489422 | 16.59900723 | 0.245737276 | 0.521739868 | 0.245737276 | -6.799625083 | -0.342489422 | 4.2906 | 233.8988 | 884.063 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 8 | 4 | 16 | 0 | 11 | 0 | 2 | 2 | 334 | Compd.21 | null | 3.728071341 | 4.443509926 | 31.03907287 | 41.72390402 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 13.76480862 | 0.0 | 11.33678588 | 87.02228214 | 60.01238816 | 83.26302532 | 47.83406683 | null | -5.28 | null | null | null | null | null | -5.28 | null | null | null | null | 6 | CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O | 113.1041079 | 46.77986425 | 0.0 | 36.0230514 | 5.414990469 | 101.6285379 | 19.49057905 | 123.4128727 | 0 | 0.0 | null | null | null | null | ['Ala(tBu)', 'Tza', 'dP', 'Mono48', 'F', 'dF'] | [1.2094999999999996, 0.4724999999999997, 0.2794999999999998, 2.0281, 1.0159999999999998, 1.0159999999999998] | [29.1, 41.99, 20.31, 20.31, 29.1, 29.1] | 21.23925341 | 8.780830095 | 0.0 | 11.33678588 | 99.80691775 | 54.25892271 | 17.04943215 | 138.3403448 | 89.39414852 | 5.647368313 | 0.0 | 0 | 2017_Boehm | 1855 | null | 169.91 | null | 524.8571805 | -0.521739868 | 97.10833966 | -11.43809144 | -17.88746503 | -30.85167617 | -59.77772285 | -46.37140383 | -35.28408763 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.174340909 | null |
7badd2faab2a0ad507663fb2f60a6c1ebadcd2e21d86d41ff3e3a88019f434ea | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,855 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Ala(tBu)', 'Tza', 'dP', 'Mono48', 'Phe(4-F)', 'dF'] | 53 | 1856 | -5.12 | -5.12 | Circle | 1 | 3.29e-17 | -2.737531949 | 3.07e-16 | -2.887210431 | 0.901457427 | -1.141589407 | 10.65298149 | -0.244322203 | 2.191348021 | 4779.44515 | 148.0 | null | null | 93.46677245 | 84.62212662 | 31.4386232 | 52.00093619 | 43.06650302 | 17.09414522 | 11.1001617 | 11.69098418 | 6.618346135 | 7.096331559 | 4.10975644 | 4.485679791 | null | null | null | 74.0 | 327.5407194 | 28.95026377 | 41.93846825 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 45.23503235 | 901.3808381 | 0.828125 | 1.46875 | 2.15625 | 0.425531915 | 142.0 | PEPTIDE1856{[Ala(tBu)].[Tza].[dP].[Mono48].[Phe(4-F)].[dF]}$PEPTIDE1856,PEPTIDE1856,1:R1-6:R2$$$ | PEPTIDE1856{<a href="/monomers/Ala(tBu)/">[Ala(tBu)]</a>.<a href="/monomers/Tza/">[Tza]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono48/">[Mono48]</a>.<a href="/monomers/Phe(4-F)/">[Phe(4-F)]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1856,PEPTIDE1856,1:R1-6:R2$$$ | -6.1 | 64 | 847.621 | 1856 | null | null | 1.01e+38 | 13.71747174 | 21.51830782 | 13.21808721 | 450.2250181 | null | 16.58125575 | 0.342489422 | 16.58125575 | 0.245737276 | 0.529239868 | 0.245737276 | -6.817376562 | -0.342489422 | 4.4297 | 233.8568 | 902.053 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 8 | 4 | 17 | 0 | 11 | 0 | 2 | 2 | 340 | Compd.22 | null | 3.18833437 | 4.014369865 | 31.03907287 | 47.54112486 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 18.15522366 | 0.0 | 11.33678588 | 68.89502601 | 72.09722557 | 83.26302532 | 46.46330827 | null | -5.12 | null | null | null | null | null | -5.12 | null | null | null | null | 6 | CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O | 116.1237644 | 46.77986425 | 0.0 | 36.0230514 | 5.414990469 | 101.6285379 | 19.49057905 | 123.1876748 | 0 | 0.0 | null | null | null | null | ['Ala(tBu)', 'Tza', 'dP', 'Mono48', 'Phe(4-F)', 'dF'] | [1.2094999999999996, 0.4724999999999997, 0.2794999999999998, 2.0281, 1.1550999999999998, 1.0159999999999998] | [29.1, 41.99, 20.31, 20.31, 29.1, 29.1] | 21.23925341 | 13.17124514 | 0.0 | 11.33678588 | 99.80691775 | 54.25892271 | 22.86665299 | 136.9695862 | 83.35172981 | 5.647368313 | 0.0 | 0 | 2017_Boehm | 1856 | null | 169.91 | null | 530.8704435 | -0.529239868 | 96.92925596 | -11.56448039 | -18.07172429 | -33.50032728 | -59.35026936 | -46.56691436 | -35.38341055 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.172783082 | null |
58b196efba2a805fd962873dcff8dd35fccbb1d7e4a62005c538fe268c4a96a9 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,856 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Ala(tBu)', 'Tza', 'dP', 'Mono48', 'Cha', 'dF'] | 48 | 1857 | -5.42 | -5.42 | Circle | 4 | -1.04e-16 | -2.822466601 | 3.57e-17 | -2.889948561 | 4.45e-16 | -1.173903241 | 10.00146963 | -0.244322203 | 2.233092648 | 4825.23618 | 141.0 | null | null | 99.00267083 | 91.24416215 | 31.06065873 | 54.07550971 | 46.37752078 | 16.90516298 | 10.91117947 | 11.50200194 | 6.523855017 | 7.001840441 | 4.062510881 | 4.438434232 | null | null | null | 74.0 | 329.7489544 | 33.06253944 | 37.5480532 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 50.71806658 | 889.4372101 | 0.873015873 | 1.587301587 | 2.317460317 | 0.553191489 | 133.0 | PEPTIDE1857{[Ala(tBu)].[Tza].[dP].[Mono48].[Cha].[dF]}$PEPTIDE1857,PEPTIDE1857,1:R1-6:R2$$$ | PEPTIDE1857{<a href="/monomers/Ala(tBu)/">[Ala(tBu)]</a>.<a href="/monomers/Tza/">[Tza]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono48/">[Mono48]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1857,PEPTIDE1857,1:R1-6:R2$$$ | -5.25 | 63 | 828.623 | 1857 | null | null | 5.39e+41 | 12.14488215 | 21.89710469 | 13.62194271 | 458.0210035 | null | 16.71493512 | 0.342755604 | 16.71493512 | 0.245737276 | 0.569467716 | 0.245737276 | -7.015080247 | -0.342755604 | 5.0183 | 234.9448 | 890.111 | Circle | 6 | 6 | null | 4 | 13 | null | null | 1 | 2 | 3 | 2 | 1 | 3 | 8 | 4 | 16 | 0 | 11 | 1 | 2 | 3 | 340 | Compd.23 | null | 2.367220491 | 2.818047166 | 31.03907287 | 41.72390402 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 13.76480862 | 0.0 | 11.33678588 | 88.6748131 | 66.71581925 | 91.96844454 | 40.98027405 | null | -5.42 | null | null | null | null | null | -5.42 | null | null | null | null | 6 | CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O | 121.3286592 | 46.77986425 | 0.0 | 36.0230514 | 11.30894815 | 133.4931624 | 19.49057905 | 87.63732764 | 0 | 0.0 | null | null | null | null | ['Ala(tBu)', 'Tza', 'dP', 'Mono48', 'Cha', 'dF'] | [1.2094999999999996, 0.4724999999999997, 0.2794999999999998, 2.0281, 1.7436999999999996, 1.0159999999999998] | [29.1, 41.99, 20.31, 20.31, 29.1, 29.1] | 21.23925341 | 8.780830095 | 0.0 | 11.33678588 | 99.80691775 | 47.88599781 | 22.94338984 | 179.238994 | 59.18205498 | 5.647368313 | 0.0 | 0 | 2017_Boehm | 1857 | null | 169.91 | null | 580.7771467 | -0.569467716 | 97.72855113 | -12.3557912 | -15.78860443 | -38.60835956 | -51.73840915 | -75.97724363 | -36.13448881 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.209769959 | null |
0201118ff964a8d08ca284e55fe38a711500e70220ffe1583806d7e2fd33a28b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,857 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Ala(tBu)', 'Tza', 'dP', 'Mono48', 'Ala(tBu)', 'dF'] | 53 | 1858 | -5.08 | -5.08 | Circle | 2 | -9.88e-17 | -2.742082093 | 7.08e-17 | -2.889457759 | 4.2e-16 | -1.14471268 | 9.997855785 | -0.249289309 | 2.545139672 | 4574.435393 | 121.0 | null | null | 96.00267083 | 88.24416215 | 30.06065873 | 52.32550971 | 44.62752078 | 16.15516298 | 10.66117947 | 11.25200194 | 6.086355017 | 6.564340441 | 3.80921173 | 4.185135082 | null | null | null | 70.0 | 317.961039 | 28.95026377 | 37.5480532 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 52.08882513 | 863.42156 | 0.868852459 | 1.508196721 | 2.163934426 | 0.533333333 | 140.0 | PEPTIDE1858{[Ala(tBu)].[Tza].[dP].[Mono48].[Ala(tBu)].[dF]}$PEPTIDE1858,PEPTIDE1858,1:R1-6:R2$$$ | PEPTIDE1858{<a href="/monomers/Ala(tBu)/">[Ala(tBu)]</a>.<a href="/monomers/Tza/">[Tza]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono48/">[Mono48]</a>.<a href="/monomers/Ala(tBu)/">[Ala(tBu)]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1858,PEPTIDE1858,1:R1-6:R2$$$ | -5.25 | 61 | 804.601 | 1858 | null | null | 5.58e+38 | 11.85075125 | 20.54219325 | 13.88420407 | 443.4870094 | null | 16.62088367 | 0.34274511 | 16.62088367 | 0.245737276 | 0.559655902 | 0.245737276 | -6.960977356 | -0.34274511 | 4.4841 | 227.8248 | 864.073 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 2 | 1 | 3 | 8 | 4 | 16 | 0 | 10 | 0 | 2 | 2 | 330 | Compd.24 | null | 3.091667331 | 3.002034147 | 31.03907287 | 41.72390402 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 13.76480862 | 0.0 | 11.33678588 | 77.36586495 | 66.23685204 | 89.22692742 | 40.98027405 | null | -5.08 | null | null | null | null | null | -5.08 | null | null | null | null | 5 | CC(C)(C)C[C@@H]1NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 118.5871421 | 46.77986425 | 0.0 | 36.0230514 | 10.82998094 | 122.1842143 | 19.49057905 | 87.63732764 | 0 | 0.0 | null | null | null | null | ['Ala(tBu)', 'Tza', 'dP', 'Mono48', 'Ala(tBu)', 'dF'] | [1.2094999999999996, 0.4724999999999997, 0.2794999999999998, 2.0281, 1.2094999999999996, 1.0159999999999998] | [29.1, 41.99, 20.31, 20.31, 29.1, 29.1] | 21.23925341 | 8.780830095 | 0.0 | 11.33678588 | 99.80691775 | 47.88599781 | 22.46442262 | 165.1885288 | 59.18205498 | 5.647368313 | 0.0 | 0 | 2017_Boehm | 1858 | null | 169.91 | null | 557.1906594 | -0.559655902 | 97.0729567 | -12.28265579 | -21.93265865 | -32.09850544 | -51.40791133 | -48.08874165 | -53.06015396 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.233086178 | null |
fe090eb7432afbbace98d0f8947624e18c6fb841792b92a48cf53128a7aefda0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,858 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Ala(tBu)', 'Tza', 'dP', 'Mono48', 'Ser(Bn)', 'dF'] | 52 | 1859 | -5.21 | -5.21 | Circle | 7 | -3.49e-17 | -2.737511899 | 1.5e-16 | -2.891263613 | 0.654745285 | -1.141607584 | 10.51705857 | -0.244322203 | 2.174097507 | 4914.192635 | 164.0 | null | null | 96.67387923 | 88.15241044 | 31.96890702 | 53.70804297 | 44.78576907 | 17.31341127 | 11.09236569 | 11.68318816 | 6.581252045 | 7.059237469 | 4.042583726 | 4.418507077 | null | null | null | 77.0 | 334.5109628 | 31.69178088 | 37.5480532 | 0 | 0 | 0 | 0 | 0 | 0 | 9.720841475 | 46.60579091 | 913.4008246 | 0.876923077 | 1.553846154 | 2.261538462 | 0.4375 | 155.0 | PEPTIDE1859{[Ala(tBu)].[Tza].[dP].[Mono48].[Ser(Bn)].[dF]}$PEPTIDE1859,PEPTIDE1859,1:R1-6:R2$$$ | PEPTIDE1859{<a href="/monomers/Ala(tBu)/">[Ala(tBu)]</a>.<a href="/monomers/Tza/">[Tza]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono48/">[Mono48]</a>.<a href="/monomers/Ser(Bn)/">[Ser(Bn)]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1859,PEPTIDE1859,1:R1-6:R2$$$ | -6.07 | 65 | 856.633 | 1859 | null | null | 9.12e+38 | 13.523073 | 22.70761456 | 14.20935979 | 461.7528815 | null | 16.62384757 | 0.374080901 | 16.62384757 | 0.245737276 | 0.538154542 | 0.245737276 | -6.845470292 | -0.374080901 | 4.2647 | 239.8508 | 914.089 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 9 | 4 | 17 | 0 | 13 | 0 | 2 | 2 | 346 | Compd.25 | null | 3.156785576 | 4.278879403 | 35.77593583 | 41.72390402 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 13.76480862 | 0.0 | 11.33678588 | 87.02228214 | 60.01238816 | 74.14858331 | 66.43507154 | null | -5.21 | null | null | null | null | null | -5.21 | null | null | null | null | 6 | CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](COCc2ccccc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O | 120.5824879 | 46.77986425 | 0.0 | 36.0230514 | 5.414990469 | 101.8145982 | 26.0495643 | 123.4128727 | 0 | 0.0 | null | null | null | null | ['Ala(tBu)', 'Tza', 'dP', 'Mono48', 'Ser(Bn)', 'dF'] | [1.2094999999999996, 0.4724999999999997, 0.2794999999999998, 2.0281, 0.9900999999999996, 1.0159999999999998] | [29.1, 41.99, 20.31, 20.31, 38.33, 29.1] | 21.23925341 | 8.780830095 | 0.0 | 11.33678588 | 106.365903 | 59.18184601 | 17.04943215 | 141.0818619 | 89.39414852 | 5.647368313 | 0.0 | 0 | 2017_Boehm | 1859 | null | 179.14 | null | 545.559569 | -0.538154542 | 97.07944105 | -11.74506684 | -17.64466115 | -31.29430368 | -59.16748075 | -40.94601813 | -46.7199916 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.153786809 | null |
cd602c62d257406fa55b4b3f274cfa1115f992f517a2fabf2c5dd169d5dc0e69 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,860 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Tza', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'Me_dF'] | 56 | 1861 | -5.4 | -5.4 | Circle | 7 | -8.63e-17 | -2.678218492 | 9.2e-17 | -2.866669051 | 0.900396625 | -1.036386173 | 10.34479476 | -0.245720314 | 2.019746573 | 5392.875426 | 121.0 | null | null | 100.0606306 | 92.4354468 | 33.25194338 | 56.17149204 | 47.24955631 | 18.1716257 | 11.44083879 | 12.03166126 | 7.243833008 | 7.721818432 | 4.448741034 | 4.824664385 | null | null | null | 83.0 | 358.1174218 | 42.57568229 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 9.967957042 | 39.75199813 | 924.4356526 | 0.746268657 | 1.402985075 | 2.074626866 | 0.384615385 | 112.0 | PEPTIDE1861{[Me_Tza].[3Pal].[dP].[PhPr_Gly].[Nva(Ph)].[Me_dF]}$PEPTIDE1861,PEPTIDE1861,1:R1-6:R2$$$ | PEPTIDE1861{<a href="/monomers/Me_Tza/">[Me_Tza]</a>.<a href="/monomers/3Pal/">[3Pal]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/PhPr_Gly/">[PhPr_Gly]</a>.<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>}$PEPTIDE1861,PEPTIDE1861,1:R1-6:R2$$$ | -6.74 | 67 | 864.689 | 1861 | null | null | 3.6099999999999994e+41 | 13.27458191 | 23.63065214 | 12.99856923 | 480.7388068 | null | 17.22395328 | 0.342758342 | 17.22395328 | 0.245676691 | 0.541147478 | 0.245676691 | -6.878813903 | -0.342758342 | 4.6785 | 256.3404 | 925.169 | Circle | 6 | 6 | null | 2 | 14 | null | null | 0 | 2 | 2 | 3 | 2 | 5 | 9 | 2 | 15 | 0 | 16 | 0 | 2 | 2 | 350 | Compd.27 | null | 4.900277069 | 7.659932492 | 30.21926563 | 30.08946234 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 33.75120163 | 4.983978521 | 0.0 | 11.33678588 | 96.67869932 | 72.90669898 | 104.8888094 | 56.05861816 | null | -5.4 | null | null | null | null | null | -5.4 | null | null | null | null | 7 | CN1C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H]1Cc1cscn1 | 111.0949035 | 46.77986425 | 0.0 | 40.18722267 | 0.0 | 93.81871136 | 33.44223285 | 153.8573477 | 0 | 0.0 | null | null | null | null | ['Me_Tza', '3Pal', 'dP', 'PhPr_Gly', 'Nva(Ph)', 'Me_dF'] | [0.8146999999999995, 0.4109999999999996, 0.2794999999999998, 1.7498999999999998, 1.7961999999999996, 1.3581999999999996] | [33.2, 41.99, 20.31, 20.31, 29.1, 20.31] | 10.61962671 | 0.0 | 0.0 | 11.33678588 | 128.5423695 | 60.63184761 | 0.0 | 139.3163547 | 125.9096138 | 2.823684157 | 0.0 | 0 | 2017_Boehm | 1861 | null | 165.22 | null | 548.2673226 | -0.541147478 | 98.39782077 | -6.780063251 | -13.93119752 | -26.01404253 | -66.69034842 | -61.87502033 | -30.66665713 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 6 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.162281167 | null |
e3472a499f3a879a51f02f401692d216e92be1544a87df5680059991387c4b6a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,861 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)'] | 78 | 1862 | -5.25 | -5.25 | Circle | 6 | -3.72e-16 | -2.741631859 | -3.95e-16 | -2.890258212 | -2.31e-16 | -1.136047084 | 1.15e-16 | -0.249287767 | 8.516208569 | 6899.875158 | 162.0 | null | null | 161.0635132 | 151.818329 | 40.81832904 | 83.32454392 | 75.13118955 | 19.93408688 | 13.7037587 | 13.7037587 | 8.107632225 | 8.107632225 | 4.665881388 | 4.665881388 | null | null | null | 69.0 | 450.1857519 | 44.02860789 | 52.73990902 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 108.350367 | 1201.841368 | 0.564705882 | 1.082352941 | 1.588235294 | 0.790322581 | 165.0 | PEPTIDE1862{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[Me_Bmt(E)]}$PEPTIDE1862,PEPTIDE1862,1:R1-11:R2$$$ | PEPTIDE1862{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href... | -6.13 | 85 | 1090.747 | 1862 | null | null | 4.96e+74 | 13.26598462 | 34.87150528 | 21.65558178 | 664.6651694 | null | 18.025327 | 0.390126486 | 18.025327 | 0.245643649 | 3.146713736 | 0.245643649 | -8.388333089 | -0.390126486 | 3.269 | 328.4446 | 1202.635 | Circle | 11 | 11 | null | 5 | 23 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 12 | 5 | 23 | 0 | 40 | 0 | 1 | 1 | 486 | Cyclosporine A | null | -6.620415814 | -0.186784244 | 60.64742972 | 60.17892468 | 5.647368313 | 66.41017668 | 0.0 | 0.0 | 52.73990902 | 0.0 | 0.0 | 0.0 | 108.0306331 | 100.0509296 | 173.5698169 | 33.13825605 | null | -5.25 | null | null | null | null | null | -5.25 | null | null | null | null | 1 | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 208.7964925 | 64.97897702 | 1.431199657 | 55.53862153 | 41.2577038 | 220.9786581 | 55.32764799 | 12.10414349 | 0 | 0.0 | [['PAMPA'], ['RRCK'], ['PAMPA'], ['RRCK'], ['PAMPA'], ['PAMPA', 'RRCK'], ['PAMPA', 'Caco2'], ['PAMPA']] | [1, 22, 932, 981, 1822, 2356, 7188, 7353] | [['-6.60'], ['-5.96'], ['-5.01'], ['-5.96'], ['-6.20'], ['-6.15', '-5.87'], ['-5.71', '-5.58'], ['-5.72']] | ['2006_Rezai_1', '2011_White', '2015_Ahlbach', '2015_Bockus_1', '2016_Hickey', '2018_Naylor', '2021_Lee', '2022_Lee'] | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)'] | [0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.7328] | [29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 29.54] | 21.23925341 | 0.0 | 0.0 | 0.0 | 227.4049437 | 52.73990902 | 41.2577038 | 300.0201224 | 12.10414349 | 5.647368313 | 0.0 | 0 | 2017_Price | 1 | null | 278.8 | null | 992.9384945 | 0.0 | 165.6557411 | -9.339386785 | 0.0 | -108.5974979 | -85.82308579 | -51.24993928 | -163.1676591 | 0.0 | 1.0 | 2017 | 119.0 | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11 | 11 | 0 | 0 | 0 | 7 | 4 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.147924715 | null |
f69648d55e4fa41562588b936e9b1c6516fb431cdca0ce1c7000c4bf4e7e9f22 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,862 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV'] | 65 | 1863 | -5.27 | -5.27 | Circle | 4 | -3.34e-16 | -2.736058299 | -3.31e-16 | -2.881208872 | -2.15e-16 | -1.136046948 | 1.8e-16 | -0.249287767 | 7.901845071 | 5643.369611 | 161.0 | null | null | 136.5470054 | 128.5546189 | 34.55461886 | 70.4217906 | 63.64387258 | 16.85501819 | 11.635465 | 11.635465 | 6.786220299 | 6.786220299 | 3.895206958 | 3.895206958 | null | null | null | 61.0 | 382.2301148 | 34.39221447 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 94.6234239 | 1018.715439 | 0.513888889 | 0.986111111 | 1.472222222 | 0.807692308 | 159.0 | PEPTIDE1863{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV]}$PEPTIDE1863,PEPTIDE1863,1:R1-10:R2$$$ | PEPTIDE1863{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href... | -5.3 | 72 | 924.632 | 1863 | null | null | 1.1799999999999999e+60 | 11.14871515 | 28.81275613 | 18.02057337 | 563.018593 | null | 17.36291944 | 0.342808068 | 17.36291944 | 0.245337648 | 2.963289728 | 0.245337648 | -7.99229709 | -0.342808068 | 2.4788 | 277.2848 | 1019.384 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 10 | 4 | 20 | 0 | 32 | 0 | 1 | 1 | 412 | Compound.2 | null | -2.889230581 | -1.242333407 | 50.6387118 | 54.16103222 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 89.07459752 | 80.93215485 | 150.1448873 | 21.5752038 | null | -5.27 | null | null | null | null | null | -5.27 | null | null | null | null | 1 | CC[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O | 176.9610102 | 59.07179729 | 0.0 | 50.6387118 | 35.36374611 | 188.8040385 | 48.35182109 | 0.0 | 0 | 0.0 | null | null | null | null | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV'] | [0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001] | [29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 190.984109 | 47.94537184 | 35.36374611 | 258.0112763 | 0.0 | 5.647368313 | 0.0 | 0 | 2017_Price | 1863 | null | 238.26 | null | 827.4864172 | 0.0 | 148.4309398 | -12.46641685 | 0.0 | -91.67868285 | -67.90590946 | -35.58742353 | -139.1122576 | 0.0 | 1.0 | 2017 | 77.0 | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.236011908 | null |
26aba7d22291830b4c5a84ffcd105ef66a25414cf64707f9019b603c959df8cc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,863 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'meL', 'Me_dL', 'Me_dL', 'meL', 'Me_dL', 'dP', 'meY'] | 63 | 1864 | -7.48 | -7.48 | Circle | 6 | -3.82e-16 | -2.75007422 | -3.33e-16 | -2.868304602 | -2.14e-16 | -1.13671163 | -1.09e-16 | -0.249287771 | 4.533414719 | 5932.414385 | 104.0 | null | null | 138.9088127 | 131.7519434 | 35.75194338 | 72.42710333 | 65.86192874 | 17.95368045 | 12.60428401 | 12.60428401 | 7.68866934 | 7.68866934 | 4.741739126 | 4.741739126 | null | null | < -7 | null | 400.3529172 | 50.71806658 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 80.93519592 | 1036.730027 | 0.486486486 | 0.77027027 | 1.054054054 | 0.754385965 | 104.0 | PEPTIDE1864{[Me_dL].[meL].[Me_dL].[Me_dL].[meL].[Me_dL].[dP].[meY]}$PEPTIDE1864,PEPTIDE1864,1:R1-8:R2$$$ | PEPTIDE1864{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1864,P... | -5.22 | 74 | 940.674 | 1864 | null | null | 1.03e+63 | 11.35997463 | 27.53199016 | 15.90681569 | 579.1607068 | null | 18.04469416 | 0.507966645 | 18.04469416 | 0.29309207 | 2.193374159 | 0.29309207 | -8.370889109 | -0.507966645 | 6.0049 | 289.1818 | 1037.442 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 34 | 0 | 2 | 2 | 418 | cpd.8.1 | -7.48 | -2.809586643 | -0.061257308 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 94.30754282 | 103.9954342 | 175.473533 | 16.44910267 | null | -7.48 | null | null | null | null | null | -7.0 | null | null | null | 54.81 | 3 | CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C | 173.6871685 | 47.25743783 | 1.431199657 | 39.19927785 | 35.36374611 | 187.7221693 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dL', 'meL', 'Me_dL', 'Me_dL', 'meL', 'Me_dL', 'dP', 'meY'] | [1.1616, 1.1616, 1.1616, 1.1616, 1.1616, 1.1616, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 35.36374611 | 268.9916189 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1864 | null | 182.71 | null | 875.8875868 | 0.0 | 116.4737784 | 3.940719965 | -3.37238411 | -87.91593986 | -75.75662322 | -65.66579744 | -131.0080073 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.233636716 | null |
0aa7a6e2f9c729fcb6cbb06766ee0dff4078db968c8d4b7ff41f443c584cd9a0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,864 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'meA', 'Me_dL', 'Me_dL', 'meL', 'Me_dA', 'dP', 'meY'] | 63 | 1865 | -4.72 | -4.72 | Circle | 9 | -2.97e-16 | -2.741010869 | -2.54e-16 | -2.862460875 | -9.28e-17 | -1.136341945 | 3.77e-16 | -0.249287769 | 4.20930104 | 5378.108606 | 105.0 | null | null | 123.9088127 | 116.7519434 | 32.75194338 | 64.92710333 | 58.36192874 | 16.45368045 | 11.60428401 | 11.60428401 | 7.201865942 | 7.201865942 | 4.286199593 | 4.286199593 | null | null | null | null | 362.1153678 | 35.63972246 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 79.56443736 | 952.6361263 | 0.558823529 | 0.926470588 | 1.308823529 | 0.725490196 | 106.0 | PEPTIDE1865{[Me_dL].[meA].[Me_dL].[Me_dL].[meL].[Me_dA].[dP].[meY]}$PEPTIDE1865,PEPTIDE1865,1:R1-8:R2$$$ | PEPTIDE1865{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1865,P... | -5.22 | 68 | 868.608 | 1865 | null | null | 2.75e+54 | 10.82500263 | 24.36677538 | 13.51359883 | 524.1114081 | null | 17.52805944 | 0.507966645 | 17.52805944 | 0.29309207 | 2.053167243 | 0.29309207 | -7.990164241 | -0.507966645 | 3.9525 | 261.6198 | 953.28 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 28 | 0 | 2 | 2 | 382 | cpd.8.2 | -4.72 | -0.554192306 | -0.315874264 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 66.89997435 | 93.16545329 | 159.0244304 | 16.44910267 | null | -4.72 | null | null | null | null | null | -5.56 | null | null | null | 26.95 | 3 | CC(C)C[C@H]1C(=O)N(C)[C@H](C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C | 157.2380658 | 47.25743783 | 1.431199657 | 39.19927785 | 23.57583074 | 161.2725352 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dL', 'meA', 'Me_dL', 'Me_dL', 'meL', 'Me_dA', 'dP', 'meY'] | [1.1616, 0.1353999999999999, 1.1616, 1.1616, 1.1616, 0.1353999999999999, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 23.57583074 | 226.0928822 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1865 | null | 182.71 | null | 754.0085374 | 0.0 | 113.7541814 | 3.946232869 | -3.162958969 | -69.86528153 | -71.04045025 | -48.17495647 | -114.381971 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.363344494 | null |
b45e13110116aec2bca6405726e58b4428eba7be037cd6bb045a6bb94a7aae0d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,865 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'meL', 'Me_dA', 'Me_dL', 'meA', 'Me_dA', 'dP', 'meY'] | 63 | 1866 | -6.0 | -6 | Circle | 4 | -2.09e-16 | -2.722642691 | -1.65e-16 | -2.855000553 | -2.27e-17 | -1.135188781 | 7.82e-16 | -0.249287763 | 3.898700934 | 4717.231632 | 138.0 | null | null | 108.9088127 | 101.7519434 | 29.75194338 | 57.42710333 | 50.86192874 | 14.95368045 | 10.60428401 | 10.60428401 | 6.715062543 | 6.715062543 | 3.830660059 | 3.830660059 | null | null | null | null | 323.8778184 | 19.19061979 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 79.56443736 | 868.5422259 | 0.612903226 | 1.016129032 | 1.435483871 | 0.688888889 | 122.0 | PEPTIDE1866{[Me_dA].[meL].[Me_dA].[Me_dL].[meA].[Me_dA].[dP].[meY]}$PEPTIDE1866,PEPTIDE1866,1:R1-8:R2$$$ | PEPTIDE1866{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1866,P... | -5.22 | 62 | 796.542 | 1866 | null | null | 2.41e+45 | 10.32927267 | 21.23695684 | 11.22992826 | 469.0621095 | null | 16.92907284 | 0.507966645 | 16.92907284 | 0.29309207 | 1.918274264 | 0.29309207 | -7.475777025 | -0.507966645 | 1.9001 | 234.0578 | 869.118 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 22 | 0 | 2 | 2 | 346 | cpd.8.3 | -6.0 | 1.649169718 | -0.532658349 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 39.49240588 | 82.33547235 | 142.5753277 | 16.44910267 | null | -6.0 | null | null | null | null | null | -6.42 | null | null | null | 46.0 | 3 | CC(C)C[C@H]1C(=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)[C@H](C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](C)C(=O)N1C | 140.7889632 | 47.25743783 | 1.431199657 | 39.19927785 | 11.78791537 | 134.8229012 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'meL', 'Me_dA', 'Me_dL', 'meA', 'Me_dA', 'dP', 'meY'] | [0.1353999999999999, 1.1616, 0.1353999999999999, 1.1616, 0.1353999999999999, 0.1353999999999999, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 11.78791537 | 183.1941455 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1866 | null | 182.71 | null | 635.0165022 | 0.0 | 111.0345843 | 3.950832992 | -2.955194176 | -52.83871073 | -66.34153707 | -32.04545612 | -98.23768809 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.446821619 | null |
2d592a8149f2699647dba747805afdce9c30b86cf234bcd42346b18bf34c6fc4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,866 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'meA', 'Me_dA', 'Me_dA', 'meA', 'Me_dA', 'dP', 'meY'] | 63 | 1867 | -7.64 | -7.64 | Circle | 5 | -1.46e-16 | -2.674865859 | -1.28e-16 | -2.845522317 | 5.15e-17 | -1.021341065 | 2.49e-15 | -0.246801658 | 3.613032942 | 4068.603004 | 145.0 | null | null | 93.9088127 | 86.75194338 | 26.75194338 | 49.92710333 | 43.36192874 | 13.45368045 | 9.604284014 | 9.604284014 | 6.228259144 | 6.228259144 | 3.375120526 | 3.375120526 | null | null | null | null | 285.640269 | 13.70758556 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 68.59836891 | 784.4483255 | 0.589285714 | 0.964285714 | 1.321428571 | 0.641025641 | 147.0 | PEPTIDE1867{[Me_dA].[meA].[Me_dA].[Me_dA].[meA].[Me_dA].[dP].[meY]}$PEPTIDE1867,PEPTIDE1867,1:R1-8:R2$$$ | PEPTIDE1867{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1867,P... | -5.22 | 56 | 724.476 | 1867 | null | null | 2.45e+36 | 9.893234438 | 18.15226347 | 9.07426306 | 414.0128108 | null | 16.53767945 | 0.507966645 | 16.53767945 | 0.29309207 | 1.810554558 | 0.29309207 | -6.773121951 | -0.507966645 | -0.1523 | 206.4958 | 784.956 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 16 | 0 | 2 | 2 | 310 | cpd.8.4 | -7.64 | 3.882150191 | -0.117503444 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 12.08483742 | 71.50549141 | 126.126225 | 16.44910267 | null | -7.64 | null | null | null | null | null | -6.18 | null | null | null | 78.87 | 3 | C[C@H]1C(=O)N(C)[C@H](C)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](C)C(=O)N1C | 124.3398605 | 47.25743783 | 1.431199657 | 39.19927785 | 0.0 | 108.3732672 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'meA', 'Me_dA', 'Me_dA', 'meA', 'Me_dA', 'dP', 'meY'] | [0.1353999999999999, 0.1353999999999999, 0.1353999999999999, 0.1353999999999999, 0.1353999999999999, 0.1353999999999999, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 0.0 | 140.2954088 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1867 | null | 182.71 | null | 519.5108138 | 0.0 | 108.3149872 | 3.955900928 | -2.800339672 | -37.01846936 | -61.79272789 | -17.56910242 | -82.51772923 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.426622778 | null |
db8c0f701c456033ac74dd8ad4e4b74e73e9ba9ec51daea30da9015c053da954 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,867 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'meA', 'Me_dL', 'Me_dL', 'meL', 'Me_dL', 'dP', 'meY'] | 63 | 1868 | -5.1 | -5.1 | Circle | 5 | -2.92e-16 | -2.744200628 | -3.06e-16 | -2.862536497 | -9.97e-17 | -1.136545835 | 4.91e-16 | -0.24928777 | 4.227761342 | 5378.108606 | 117.0 | null | null | 123.9088127 | 116.7519434 | 32.75194338 | 64.92710333 | 58.36192874 | 16.45368045 | 11.60428401 | 11.60428401 | 7.201865942 | 7.201865942 | 4.286199593 | 4.286199593 | null | null | null | null | 362.1153678 | 35.63972246 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 79.56443736 | 952.6361263 | 0.558823529 | 0.926470588 | 1.323529412 | 0.725490196 | 116.0 | PEPTIDE1868{[Me_dA].[meA].[Me_dL].[Me_dL].[meL].[Me_dL].[dP].[meY]}$PEPTIDE1868,PEPTIDE1868,1:R1-8:R2$$$ | PEPTIDE1868{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1868,P... | -5.22 | 68 | 868.608 | 1868 | null | null | 5.72e+54 | 10.82500263 | 24.36677538 | 13.51359883 | 524.1114081 | null | 17.70093801 | 0.507966645 | 17.70093801 | 0.29309207 | 2.01855813 | 0.29309207 | -8.072959924 | -0.507966645 | 3.9525 | 261.6198 | 953.28 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 28 | 0 | 2 | 2 | 382 | cpd.8.5 | -5.1 | -0.627055637 | -0.311956463 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 66.89997435 | 93.16545329 | 159.0244304 | 16.44910267 | null | -5.1 | null | null | null | null | null | -4.99 | null | null | null | 77.84 | 3 | CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C | 157.2380658 | 47.25743783 | 1.431199657 | 39.19927785 | 23.57583074 | 161.2725352 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'meA', 'Me_dL', 'Me_dL', 'meL', 'Me_dL', 'dP', 'meY'] | [0.1353999999999999, 0.1353999999999999, 1.1616, 1.1616, 1.1616, 1.1616, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 23.57583074 | 226.0928822 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1868 | null | 182.71 | null | 754.472462 | 0.0 | 113.7541814 | 3.945601638 | -3.095401092 | -70.06904906 | -70.84885762 | -48.60435871 | -114.4712452 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.363344494 | null |
5218ae0d658430cf90e5c43e868adbb21a107d374f5afc6a370712dfee021a7d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,869 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'meL', 'Me_dL', 'Me_dL', 'meA', 'Me_dA', 'dP', 'meY'] | 63 | 1870 | -5.22 | -5.22 | Circle | 6 | -3.29e-16 | -2.745112054 | -2.74e-16 | -2.864361132 | -6.69e-17 | -1.136550291 | 5.71e-16 | -0.24928777 | 4.24813508 | 5378.108606 | 114.0 | null | null | 123.9088127 | 116.7519434 | 32.75194338 | 64.92710333 | 58.36192874 | 16.45368045 | 11.60428401 | 11.60428401 | 7.201865942 | 7.201865942 | 4.286199593 | 4.286199593 | null | null | null | null | 362.1153678 | 32.89820535 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 82.30595447 | 952.6361263 | 0.558823529 | 0.926470588 | 1.308823529 | 0.725490196 | 113.0 | PEPTIDE1870{[Me_dL].[meL].[Me_dL].[Me_dL].[meA].[Me_dA].[dP].[meY]}$PEPTIDE1870,PEPTIDE1870,1:R1-8:R2$$$ | PEPTIDE1870{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1870,P... | -5.22 | 68 | 868.608 | 1870 | null | null | 2.7799999999999998e+53 | 10.82500263 | 24.36677538 | 13.51359883 | 524.1114081 | null | 17.789687 | 0.507966645 | 17.789687 | 0.29309207 | 2.073128768 | 0.29309207 | -8.123629916 | -0.507966645 | 3.9525 | 261.6198 | 953.28 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 28 | 0 | 2 | 2 | 382 | cpd.8.7 | -5.22 | -0.719139493 | -0.347800807 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 66.89997435 | 93.16545329 | 159.0244304 | 16.44910267 | null | -5.22 | null | null | null | null | null | -5.14 | null | null | null | 73.46 | 3 | CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C | 157.2380658 | 47.25743783 | 1.431199657 | 39.19927785 | 23.57583074 | 161.2725352 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dL', 'meL', 'Me_dL', 'Me_dL', 'meA', 'Me_dA', 'dP', 'meY'] | [1.1616, 1.1616, 1.1616, 1.1616, 0.1353999999999999, 0.1353999999999999, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 23.57583074 | 226.0928822 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1870 | null | 182.71 | null | 754.9816588 | 0.0 | 113.7541814 | 3.946092094 | -3.197568081 | -70.22145363 | -71.14487646 | -48.53508288 | -114.4996178 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.363344494 | null |
17519d57406ead3ce0039dd442fc5875975a04f347cedec62ba5eaed3118897a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,870 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'meL', 'Me_dL', 'Me_dL', 'meL', 'Me_dA', 'dP', 'meY'] | 63 | 1871 | -4.96 | -4.96 | Circle | 2 | -3.13e-16 | -2.744956929 | -2.62e-16 | -2.863649962 | -7.87e-17 | -1.136552297 | 5.92e-16 | -0.24928777 | 4.223834673 | 5328.108606 | 126.0 | null | null | 123.9088127 | 116.7519434 | 32.75194338 | 64.92710333 | 58.36192874 | 16.45368045 | 11.60428401 | 11.60428401 | 7.201865942 | 7.201865942 | 4.286199593 | 4.286199593 | null | null | null | null | 362.1153678 | 35.63972246 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 79.56443736 | 952.6361263 | 0.558823529 | 0.926470588 | 1.308823529 | 0.725490196 | 125.0 | PEPTIDE1871{[Me_dA].[meL].[Me_dL].[Me_dL].[meL].[Me_dA].[dP].[meY]}$PEPTIDE1871,PEPTIDE1871,1:R1-8:R2$$$ | PEPTIDE1871{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1871,P... | -5.22 | 68 | 868.608 | 1871 | null | null | 2.09e+54 | 10.82500263 | 24.36677538 | 13.51359883 | 524.1114081 | null | 17.6775722 | 0.507966645 | 17.6775722 | 0.29309207 | 2.01855813 | 0.29309207 | -8.082791391 | -0.507966645 | 3.9525 | 261.6198 | 953.28 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 28 | 0 | 2 | 2 | 382 | cpd.8.8 | -4.96 | -0.640620328 | -0.315994448 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 66.89997435 | 93.16545329 | 159.0244304 | 16.44910267 | null | -4.96 | null | null | null | null | null | -5.05 | null | null | null | 76.68 | 3 | CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](C)C(=O)N1C | 157.2380658 | 47.25743783 | 1.431199657 | 39.19927785 | 23.57583074 | 161.2725352 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'meL', 'Me_dL', 'Me_dL', 'meL', 'Me_dA', 'dP', 'meY'] | [0.1353999999999999, 1.1616, 1.1616, 1.1616, 1.1616, 0.1353999999999999, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 23.57583074 | 226.0928822 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1871 | null | 182.71 | null | 754.3340751 | 0.0 | 113.7541814 | 3.945601638 | -3.095401092 | -70.08451993 | -70.84885762 | -48.29162418 | -114.6301219 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.363344494 | null |
df24d3cb3e461e67ea53b26ff031b4d0ad605dfa531e84fac2c998496e90fb2b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,872 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'meA', 'Me_dL', 'Me_dA', 'meL', 'Me_dL', 'dP', 'meY'] | 63 | 1873 | -4.62 | -4.62 | Circle | 6 | -3.39e-16 | -2.733311482 | -2.36e-16 | -2.860420051 | -7.67e-17 | -1.136013207 | 4.45e-16 | -0.249287767 | 4.215886398 | 5378.108606 | 102.0 | null | null | 123.9088127 | 116.7519434 | 32.75194338 | 64.92710333 | 58.36192874 | 16.45368045 | 11.60428401 | 11.60428401 | 7.201865942 | 7.201865942 | 4.286199593 | 4.286199593 | null | null | null | null | 362.1153678 | 34.2689639 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 80.93519592 | 952.6361263 | 0.558823529 | 0.926470588 | 1.308823529 | 0.725490196 | 103.0 | PEPTIDE1873{[Me_dL].[meA].[Me_dL].[Me_dA].[meL].[Me_dL].[dP].[meY]}$PEPTIDE1873,PEPTIDE1873,1:R1-8:R2$$$ | PEPTIDE1873{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1873,P... | -5.22 | 68 | 868.608 | 1873 | null | null | 1.58e+54 | 10.82500263 | 24.36677538 | 13.51359883 | 524.1114081 | null | 17.59375944 | 0.507966645 | 17.59375944 | 0.29309207 | 2.085654453 | 0.29309207 | -7.82486992 | -0.507966645 | 3.9525 | 261.6198 | 953.28 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 28 | 0 | 2 | 2 | 382 | cpd.8.10 | -4.62 | -0.481850906 | -0.313736224 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 66.89997435 | 93.16545329 | 159.0244304 | 16.44910267 | null | -4.62 | null | null | null | null | null | -5.01 | null | null | null | 82.5 | 3 | CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C)C(=O)N1C | 157.2380658 | 47.25743783 | 1.431199657 | 39.19927785 | 23.57583074 | 161.2725352 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dL', 'meA', 'Me_dL', 'Me_dA', 'meL', 'Me_dL', 'dP', 'meY'] | [1.1616, 0.1353999999999999, 1.1616, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 23.57583074 | 226.0928822 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1873 | null | 182.71 | null | 753.8551703 | 0.0 | 113.7541814 | 3.945787901 | -3.217529607 | -69.67415718 | -71.20781404 | -48.28791615 | -114.0843892 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.363344494 | null |
e4ac8b76136529c37bf0edf04e97a4da3f0ed83480a060cf2074a54a57a495fb | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,873 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dAbu', 'meA', 'Me_dA', 'Me_dNle', 'meA', 'Me_dA', 'dP', 'meY'] | 67 | 1874 | -6.62 | -6.62 | Circle | 4 | -1.58e-16 | -2.702012398 | -1.78e-16 | -2.850292703 | 2.28e-17 | -1.130513443 | 1.42e-15 | -0.24923181 | 3.784519799 | 4522.936616 | 108.0 | null | null | 103.9088127 | 96.75194338 | 28.75194338 | 54.92710333 | 48.36192874 | 14.45368045 | 10.10428401 | 10.10428401 | 6.590062543 | 6.590062543 | 3.68430751 | 3.68430751 | null | null | null | null | 311.1319686 | 16.44910267 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 76.82292025 | 840.5109258 | 0.633333333 | 1.116666667 | 1.633333333 | 0.674418605 | 132.0 | PEPTIDE1874{[Me_dAbu].[meA].[Me_dA].[Me_dNle].[meA].[Me_dA].[dP].[meY]}$PEPTIDE1874,PEPTIDE1874,1:R1-8:R2$$$ | PEPTIDE1874{<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dNle/">[Me_dNle]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTI... | -5.22 | 60 | 772.52 | 1874 | null | null | 3.02e+42 | 10.17591946 | 20.84360072 | 10.3766349 | 450.7123432 | null | 16.87130325 | 0.507966645 | 16.87130325 | 0.29309207 | 1.885621417 | 0.29309207 | -7.21876913 | -0.507966645 | 1.4081 | 224.9638 | 841.064 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 20 | 0 | 2 | 2 | 334 | cpd.8.11 | -6.62 | 2.642434149 | -0.297541338 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 38.53447145 | 70.54755698 | 137.0922935 | 16.44910267 | null | -6.62 | null | null | null | null | null | -6.66 | null | null | null | 74.01 | 3 | CCCC[C@@H]1C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CC)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C)C(=O)N1C | 135.3059289 | 47.25743783 | 1.431199657 | 39.19927785 | 0.0 | 133.8649668 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dAbu', 'meA', 'Me_dA', 'Me_dNle', 'meA', 'Me_dA', 'dP', 'meY'] | [0.5255000000000001, 0.1353999999999999, 0.1353999999999999, 1.3057, 0.1353999999999999, 0.1353999999999999, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 0.0 | 176.7531769 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1874 | null | 182.71 | null | 595.4784315 | 0.0 | 110.1336722 | 3.95303892 | -2.913830077 | -39.09332991 | -64.83535101 | -43.03528364 | -84.60401469 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.44312037 | null |
abcce41c20afad629d560430f465ffff640a06950a3e2a4a91a79f7567bbf17f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,874 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dAbu', 'Me_Nle', 'Me_dAbu', 'Me_dNle', 'Me_Nle', 'Me_dA', 'dP', 'meY'] | 75 | 1875 | -5.48 | -5.48 | Circle | 4 | -2.03e-16 | -2.724531013 | -2.27e-16 | -2.85743606 | -6.91e-17 | -1.131365533 | 6.25e-16 | -0.249291935 | 4.134054739 | 5331.371563 | 116.0 | null | null | 121.4088127 | 114.2519434 | 32.25194338 | 63.67710333 | 57.11192874 | 16.20368045 | 10.97928401 | 10.97928401 | 7.195267641 | 7.195267641 | 4.193313412 | 4.193313412 | null | null | null | null | 355.7424429 | 32.89820535 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 79.56443736 | 938.6204762 | 0.567164179 | 0.985074627 | 1.402985075 | 0.72 | 116.0 | PEPTIDE1875{[Me_dAbu].[Me_Nle].[Me_dAbu].[Me_dNle].[Me_Nle].[Me_dA].[dP].[meY]}$PEPTIDE1875,PEPTIDE1875,1:R1-8:R2$$$ | PEPTIDE1875{<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_Nle/">[Me_Nle]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_dNle/">[Me_dNle]</a>.<a href="/monomers/Me_Nle/">[Me_Nle]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">... | -5.22 | 67 | 856.597 | 1875 | null | null | 6.74e+51 | 10.73923643 | 25.78555066 | 13.06526926 | 514.936525 | null | 17.32061424 | 0.507966645 | 17.32061424 | 0.29309207 | 2.019798464 | 0.29309207 | -7.817977422 | -0.507966645 | 4.1388 | 257.2828 | 939.253 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 27 | 0 | 2 | 2 | 376 | cpd.8.12 | -5.48 | 0.365145645 | 0.418856473 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 84.58184741 | 69.11065533 | 156.2829133 | 16.44910267 | null | -5.48 | null | null | null | null | null | -5.4 | null | null | null | 70.72 | 3 | CCCC[C@H]1C(=O)N(C)[C@H](CC)C(=O)N(C)[C@H](CCCC)C(=O)N(C)[C@@H](CCCC)C(=O)N(C)[C@H](C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CC)C(=O)N1C | 154.4965487 | 47.25743783 | 1.431199657 | 39.19927785 | 0.0 | 178.4754411 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dAbu', 'Me_Nle', 'Me_dAbu', 'Me_dNle', 'Me_Nle', 'Me_dA', 'dP', 'meY'] | [0.5255000000000001, 1.3057, 0.5255000000000001, 1.3057, 1.3057, 0.1353999999999999, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 0.0 | 240.554271 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1875 | null | 182.71 | null | 731.7545266 | 0.0 | 113.2239109 | 3.946817985 | -3.10721683 | -42.65136893 | -70.05145026 | -91.72644554 | -87.55544054 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.304153386 | null |
49a04c3d15cf159fb4c951f3c86fbe4b8286066af3c3f38b624f654ef846bf4d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,876 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dAbu', 'Me_Nle', 'Me_dNle', 'Me_dNle', 'Me_Nle', 'Me_dNle', 'dP', 'meY'] | 77 | 1877 | -8.0 | -8 | Circle | 3 | -3.19e-16 | -2.733493431 | -2.4e-16 | -2.859722105 | -1.21e-16 | -1.131875007 | 3.47e-16 | -0.249291935 | 4.368454648 | 5813.716195 | 102.0 | null | null | 133.9088127 | 126.7519434 | 34.75194338 | 69.92710333 | 63.36192874 | 17.45368045 | 11.60428401 | 11.60428401 | 7.56366934 | 7.56366934 | 4.483583178 | 4.483583178 | null | < -8 | < -7 | null | 387.6070674 | 35.63972246 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 90.53050581 | 1008.698727 | 0.5 | 0.847222222 | 1.208333333 | 0.745454545 | 101.0 | PEPTIDE1877{[Me_dAbu].[Me_Nle].[Me_dNle].[Me_dNle].[Me_Nle].[Me_dNle].[dP].[meY]}$PEPTIDE1877,PEPTIDE1877,1:R1-8:R2$$$ | PEPTIDE1877{<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_Nle/">[Me_Nle]</a>.<a href="/monomers/Me_dNle/">[Me_dNle]</a>.<a href="/monomers/Me_dNle/">[Me_dNle]</a>.<a href="/monomers/Me_Nle/">[Me_Nle]</a>.<a href="/monomers/Me_dNle/">[Me_dNle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/me... | -5.22 | 72 | 916.652 | 1877 | null | null | 1.9499999999999998e+60 | 11.17815441 | 29.47165475 | 14.94667684 | 560.8109406 | null | 17.78279042 | 0.507966645 | 17.78279042 | 0.29309207 | 2.118198672 | 0.29309207 | -8.166335373 | -0.507966645 | 6.0893 | 280.3678 | 1009.388 | Circle | 8 | 8 | null | 1 | 17 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 1 | 17 | 0 | 32 | 0 | 2 | 2 | 406 | cpd.8.14 | -8.0 | -1.299374878 | 0.912555399 | 44.30808604 | 53.89265158 | 0.0 | 47.25743783 | 1.431199657 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 116.9254391 | 68.63168812 | 169.9904988 | 16.44910267 | null | -8.0 | null | null | null | null | null | -7.0 | null | null | null | 89.71 | 3 | CCCC[C@H]1C(=O)N(C)[C@H](CCCC)C(=O)N(C)[C@H](CCCC)C(=O)N(C)[C@@H](CCCC)C(=O)N(C)[C@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CC)C(=O)N1C | 168.2041343 | 47.25743783 | 1.431199657 | 39.19927785 | 0.0 | 210.3400656 | 55.32764799 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dAbu', 'Me_Nle', 'Me_dNle', 'Me_dNle', 'Me_Nle', 'Me_dNle', 'dP', 'meY'] | [0.5255000000000001, 1.3057, 1.3057, 1.3057, 1.3057, 1.3057, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 196.4675113 | 44.72922237 | 0.0 | 286.126481 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1877 | null | 182.71 | null | 830.5144748 | 0.0 | 115.2198867 | 3.94237965 | -3.249980001 | -45.02218034 | -73.54205665 | -128.6072699 | -89.17192094 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.182069406 | null |
a1e529ffd01fb1c5cb4a9f41f27223ecc08f681e46efc4c1535c23354da8c410 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,877 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Nva', 'Me_dAbu', 'meA', 'Me_dAbu', 'Me_dA', 'meA', 'Me_dAbu', 'dP', 'meY'] | 79 | 1878 | -7.3 | -7.3 | Circle | 2 | -2.18e-16 | -2.699804079 | -1.8e-16 | -2.847856144 | -3.85e-17 | -1.110948262 | 1.14e-15 | -0.249252511 | 3.967494136 | 5157.217187 | 137.0 | null | null | 117.0635132 | 109.1074053 | 32.10740526 | 61.70381234 | 54.48687328 | 16.07862499 | 11.21845357 | 11.21845357 | 7.393639513 | 7.393639513 | 4.174884137 | 4.174884137 | null | null | null | null | 348.1575944 | 20.56137834 | 43.15083466 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 85.04747158 | 939.5793397 | 0.552238806 | 0.970149254 | 1.432835821 | 0.6875 | 132.0 | PEPTIDE1878{[Me_Nva].[Me_dAbu].[meA].[Me_dAbu].[Me_dA].[meA].[Me_dAbu].[dP].[meY]}$PEPTIDE1878,PEPTIDE1878,1:R1-9:R2$$$ | PEPTIDE1878{<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/dP/">[dP]<... | -5.75 | 67 | 862.581 | 1878 | null | null | 5.58e+50 | 11.30353948 | 23.81063857 | 11.86725533 | 505.1031441 | null | 17.32288011 | 0.507966645 | 17.32288011 | 0.29309207 | 2.013745683 | 0.29309207 | -7.51149396 | -0.507966645 | 1.6451 | 251.8128 | 940.197 | Circle | 9 | 9 | null | 1 | 19 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 10 | 1 | 19 | 0 | 23 | 0 | 2 | 2 | 374 | cpd.9.1 | -7.3 | 1.085603021 | 0.060527022 | 49.20799577 | 59.91054405 | 0.0 | 53.16461756 | 1.431199657 | 0.0 | 43.15083466 | 0.0 | 0.0 | 0.0 | 45.86533079 | 76.44151467 | 155.0341888 | 17.81986123 | null | -7.3 | null | null | null | null | null | -6.89 | null | null | null | 63.23 | 3 | CCC[C@H]1C(=O)N(C)[C@H](CC)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](CC)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N1C | 152.4372931 | 53.16461756 | 1.431199657 | 44.09918758 | 0.0 | 153.1076762 | 62.30347489 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_Nva', 'Me_dAbu', 'meA', 'Me_dAbu', 'Me_dA', 'meA', 'Me_dAbu', 'dP', 'meY'] | [0.9156, 0.5255000000000001, 0.1353999999999999, 0.5255000000000001, 0.1353999999999999, 0.1353999999999999, 0.5255000000000001, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 220.2683201 | 49.52375956 | 0.0 | 202.3148209 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1878 | null | 203.02 | null | 680.4855811 | 0.0 | 124.7947962 | 3.946033456 | -3.107022674 | -45.50044791 | -74.46669672 | -51.47112189 | -98.93112149 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 9 | 9 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.419136734 | null |
24e3b4f43a098e9f8929443caead065a44231c36ecdca908bf6952c9a2c798f2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,878 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Nva', 'Me_dAbu', 'meA', 'Me_dNle', 'Me_dA', 'Me_Nle', 'Me_dA', 'dP', 'meY'] | 80 | 1879 | -6.1 | -6.1 | Circle | 4 | -2.22e-16 | -2.710615704 | -2.12e-16 | -2.8490445 | -5.81e-17 | -1.130650754 | 9.59e-16 | -0.249291935 | 4.100886176 | 5624.589921 | 121.0 | null | null | 127.0635132 | 119.1074053 | 34.10740526 | 66.70381234 | 59.48687328 | 17.07862499 | 11.71845357 | 11.71845357 | 7.643639513 | 7.643639513 | 4.355785836 | 4.355785836 | null | null | null | null | 373.649294 | 28.78592968 | 43.15083466 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 87.7889887 | 995.6419399 | 0.535211268 | 0.971830986 | 1.450704225 | 0.711538462 | 117.0 | PEPTIDE1879{[Me_Nva].[Me_dAbu].[meA].[Me_dNle].[Me_dA].[Me_Nle].[Me_dA].[dP].[meY]}$PEPTIDE1879,PEPTIDE1879,1:R1-9:R2$$$ | PEPTIDE1879{<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dNle/">[Me_dNle]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_Nle/">[Me_Nle]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dP/">[dP... | -5.75 | 71 | 910.625 | 1879 | null | null | 5.43e+55 | 11.62016186 | 26.62741908 | 13.61060079 | 541.8026765 | null | 17.43843885 | 0.507966645 | 17.43843885 | 0.29309207 | 2.060374669 | 0.29309207 | -7.636063603 | -0.507966645 | 3.2055 | 270.2808 | 996.305 | Circle | 9 | 9 | null | 1 | 19 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 10 | 1 | 19 | 0 | 27 | 0 | 2 | 2 | 398 | cpd.9.2 | -6.1 | -0.001037439 | 0.391058172 | 49.20799577 | 59.91054405 | 0.0 | 53.16461756 | 1.431199657 | 0.0 | 43.15083466 | 0.0 | 0.0 | 0.0 | 71.35703039 | 76.44151467 | 166.0002573 | 17.81986123 | null | -6.1 | null | null | null | null | null | -6.21 | null | null | null | 77.88 | 3 | CCCC[C@H]1C(=O)N(C)[C@H](C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](CCC)C(=O)N(C)[C@H](CC)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](CCCC)C(=O)N(C)[C@H](C)C(=O)N1C | 163.4033616 | 53.16461756 | 1.431199657 | 44.09918758 | 0.0 | 178.5993759 | 62.30347489 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_Nva', 'Me_dAbu', 'meA', 'Me_dNle', 'Me_dA', 'Me_Nle', 'Me_dA', 'dP', 'meY'] | [0.9156, 0.5255000000000001, 0.1353999999999999, 1.3057, 0.1353999999999999, 1.3057, 0.1353999999999999, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 220.2683201 | 49.52375956 | 0.0 | 238.7725889 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1879 | null | 203.02 | null | 756.9737178 | 0.0 | 126.294488 | 3.942880009 | -3.166970174 | -47.31179305 | -77.01120318 | -78.08217503 | -100.8889443 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 9 | 9 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.343285819 | null |
268791cf936fec4f26db02aa934d81faf1382a2bc7397acd348958722231a197 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,879 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Nva', 'Me_dAbu', 'Me_Nva', 'Me_dNva', 'Me_dNva', 'Me_Abu', 'Me_dNva', 'dP', 'meY'] | 87 | 1880 | -5.35 | -5.35 | Circle | 1 | -2.78e-16 | -2.719523029 | -2.32e-16 | -2.854154945 | -6.93e-17 | -1.112774749 | 5.77e-16 | -0.249283332 | 4.298283042 | 5940.237602 | 125.0 | null | null | 134.5635132 | 126.6074053 | 35.60740526 | 70.45381234 | 63.23687328 | 17.82862499 | 12.09345357 | 12.09345357 | 7.998844612 | 7.998844612 | 4.739791738 | 4.739791738 | null | null | null | null | 392.7680687 | 39.75199813 | 43.15083466 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 85.04747158 | 1037.68889 | 0.472972973 | 0.797297297 | 1.135135135 | 0.727272727 | 125.0 | PEPTIDE1880{[Me_Nva].[Me_dAbu].[Me_Nva].[Me_dNva].[Me_dNva].[Me_Abu].[Me_dNva].[dP].[meY]}$PEPTIDE1880,PEPTIDE1880,1:R1-9:R2$$$ | PEPTIDE1880{<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/Me_dNva/">[Me_dNva]</a>.<a href="/monomers/Me_dNva/">[Me_dNva]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/Me_dNva/">[Me_dNva]</a>.<a href="/mon... | -5.75 | 74 | 946.658 | 1880 | null | null | 2.62e+60 | 11.87101316 | 28.79214297 | 14.13741483 | 569.3273259 | null | 17.63966882 | 0.507966645 | 17.63966882 | 0.29309207 | 2.125661359 | 0.29309207 | -7.896041738 | -0.507966645 | 4.3758 | 284.1318 | 1038.386 | Circle | 9 | 9 | null | 1 | 19 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 10 | 1 | 19 | 0 | 30 | 0 | 2 | 2 | 416 | cpd.9.3 | -5.35 | -1.118097374 | 0.841845562 | 49.20799577 | 59.91054405 | 0.0 | 53.16461756 | 1.431199657 | 0.0 | 43.15083466 | 0.0 | 0.0 | 0.0 | 91.91270674 | 75.00461302 | 174.2248086 | 17.81986123 | null | -5.35 | null | null | null | null | null | -5.45 | null | null | null | 67.95 | 3 | CCC[C@H]1C(=O)N(C)[C@H](CC)C(=O)N(C)[C@@H](CCC)C(=O)N(C)[C@H](CCC)C(=O)N(C)[C@H](CCC)C(=O)N(C)[C@@H](CC)C(=O)N(C)[C@H](CCC)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N1C | 171.6279129 | 53.16461756 | 1.431199657 | 44.09918758 | 0.0 | 197.7181506 | 62.30347489 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_Nva', 'Me_dAbu', 'Me_Nva', 'Me_dNva', 'Me_dNva', 'Me_Abu', 'Me_dNva', 'dP', 'meY'] | [0.9156, 0.5255000000000001, 0.9156, 0.9156, 0.9156, 0.5255000000000001, 0.9156, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 220.2683201 | 49.52375956 | 0.0 | 266.115915 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1880 | null | 203.02 | null | 818.6485951 | 0.0 | 128.1600975 | 3.940154687 | -3.263313954 | -49.33315337 | -79.98537924 | -101.4348239 | -102.2321768 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 9 | 9 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.278890546 | null |
4045cd6c2d755b8cd56c5946439ce3958a588119e7ceab75fd79877257cabcdb | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,880 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Nva', 'Me_dAbu', 'Me_Nle', 'Me_dNle', 'Me_dNle', 'Me_Nle', 'Me_dNle', 'dP', 'meY'] | 87 | 1881 | -8.0 | -8 | Circle | 2 | -2.96e-16 | -2.73297289 | -2.81e-16 | -2.855448448 | -1.4e-16 | -1.131875098 | 3.42e-16 | -0.249291935 | 4.529955378 | 6588.47855 | 118.0 | null | null | 149.5635132 | 141.6074053 | 38.60740526 | 77.95381234 | 70.73687328 | 19.32862499 | 12.84345357 | 12.84345357 | 8.373844612 | 8.373844612 | 4.955242587 | 4.955242587 | null | < -8 | < -7 | null | 431.0056181 | 56.2011008 | 43.15083466 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 85.04747158 | 1121.78279 | 0.45 | 0.7875 | 1.15 | 0.754098361 | 118.0 | PEPTIDE1881{[Me_Nva].[Me_dAbu].[Me_Nle].[Me_dNle].[Me_dNle].[Me_Nle].[Me_dNle].[dP].[meY]}$PEPTIDE1881,PEPTIDE1881,1:R1-9:R2$$$ | PEPTIDE1881{<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_Nle/">[Me_Nle]</a>.<a href="/monomers/Me_dNle/">[Me_dNle]</a>.<a href="/monomers/Me_dNle/">[Me_dNle]</a>.<a href="/monomers/Me_Nle/">[Me_Nle]</a>.<a href="/monomers/Me_dNle/">[Me_dNle]</a>.<a href="/mon... | -5.75 | 80 | 1018.724 | 1881 | null | null | 4.1e+69 | 12.39919207 | 33.24212132 | 16.91597294 | 624.3766246 | null | 18.00897319 | 0.507966645 | 18.00897319 | 0.29309207 | 2.213277447 | 0.29309207 | -8.362478819 | -0.507966645 | 6.7164 | 311.8338 | 1122.548 | Circle | 9 | 9 | null | 1 | 19 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 10 | 1 | 19 | 0 | 36 | 0 | 2 | 2 | 452 | cpd.9.4 | -8.0 | -2.915465112 | 1.412262529 | 49.20799577 | 59.91054405 | 0.0 | 53.16461756 | 1.431199657 | 0.0 | 43.15083466 | 0.0 | 0.0 | 0.0 | 130.1502562 | 75.00461302 | 190.6739113 | 17.81986123 | null | -8.0 | null | null | null | null | null | -7.0 | null | null | null | 88.1 | 3 | CCCC[C@H]1C(=O)N(C)[C@H](CCCC)C(=O)N(C)[C@H](CCCC)C(=O)N(C)[C@@H](CCCC)C(=O)N(C)[C@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](CCC)C(=O)N(C)[C@H](CC)C(=O)N1C | 188.0770156 | 53.16461756 | 1.431199657 | 44.09918758 | 0.0 | 235.9557 | 62.30347489 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_Nva', 'Me_dAbu', 'Me_Nle', 'Me_dNle', 'Me_dNle', 'Me_Nle', 'Me_dNle', 'dP', 'meY'] | [0.9156, 0.5255000000000001, 1.3057, 1.3057, 1.3057, 1.3057, 1.3057, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 220.2683201 | 49.52375956 | 0.0 | 320.8025671 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1881 | null | 203.02 | null | 936.6935892 | 0.0 | 130.2304226 | 3.935273918 | -3.383672501 | -51.89880715 | -83.65134692 | -145.6259324 | -104.2995267 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 9 | 9 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.146158591 | null |
500d9cdfe8e1e0ca269842ecb0a1a3a76ac8e5743057b72cea22091a379553b3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,881 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'Me_Nva', 'Me_dAbu', 'meA', 'Me_dAbu', 'Me_dAbu', 'meA', 'Me_dAbu', 'dP', 'meY'] | 90 | 1882 | -6.92 | -6.92 | Circle | 5 | -2.2e-16 | -2.702535729 | -2.28e-16 | -2.853574891 | -1.89e-17 | -1.110987971 | 1.18e-15 | -0.249258351 | 4.043846381 | 5801.522322 | 156.0 | null | null | 130.2182138 | 121.4628672 | 35.46286715 | 68.48052135 | 60.61181782 | 17.70356953 | 12.33262313 | 12.33262313 | 8.141314784 | 8.141314784 | 4.587342696 | 4.587342696 | null | null | < -7 | null | 385.1832203 | 24.67365401 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 93.27202292 | 1038.647754 | 0.5 | 0.878378378 | 1.283783784 | 0.698113208 | 152.0 | PEPTIDE1882{[Me_dA].[Me_Nva].[Me_dAbu].[meA].[Me_dAbu].[Me_dAbu].[meA].[Me_dAbu].[dP].[meY]}$PEPTIDE1882,PEPTIDE1882,1:R1-10:R2$$$ | PEPTIDE1882{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dAbu/">... | -6.28 | 74 | 952.642 | 1882 | null | null | 1.7200000000000002e+56 | 12.43197805 | 26.78712665 | 13.14369474 | 559.4939449 | null | 17.23839642 | 0.507966645 | 17.23839642 | 0.29309207 | 2.049347894 | 0.29309207 | -7.562364112 | -0.507966645 | 1.8821 | 278.6618 | 1039.33 | Circle | 10 | 10 | null | 1 | 21 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 11 | 1 | 21 | 0 | 26 | 0 | 2 | 2 | 414 | cpd.10.1 | -6.92 | -0.26927492 | 0.315575964 | 54.1079055 | 65.92843652 | 0.0 | 59.07179729 | 1.431199657 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 52.7172229 | 82.81443957 | 172.9760842 | 19.19061979 | null | -6.92 | null | null | null | null | null | -7.0 | null | null | null | 62.86 | 3 | CCC[C@H]1C(=O)N(C)[C@H](CC)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](CC)C(=O)N(C)[C@H](CC)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](CC)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](C)C(=O)N1C | 169.5686573 | 59.07179729 | 1.431199657 | 48.99909731 | 0.0 | 172.3503857 | 69.27930179 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'Me_Nva', 'Me_dAbu', 'meA', 'Me_dAbu', 'Me_dAbu', 'meA', 'Me_dAbu', 'dP', 'meY'] | [0.1353999999999999, 0.9156, 0.5255000000000001, 0.1353999999999999, 0.5255000000000001, 0.5255000000000001, 0.1353999999999999, 0.5255000000000001, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 244.0691289 | 54.31829674 | 0.0 | 227.8764649 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1882 | null | 223.33 | null | 763.796746 | 0.0 | 139.3122656 | 3.93960881 | -3.136020921 | -51.69174832 | -83.31333205 | -58.85814352 | -113.6327089 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.39611925 | null |
d6fee685573a4bd4de600925464de5f0ea53a26bf614c936e50027947005215c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,882 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'Me_Nva', 'Me_dAbu', 'Me_Nle', 'Me_dAbu', 'Me_dA', 'Me_Nva', 'Me_dAbu', 'dP', 'meY'] | 94 | 1883 | -5.85 | -5.85 | Circle | 5 | -2.67e-16 | -2.71654047 | -2.6e-16 | -2.856189994 | -6.32e-17 | -1.130565099 | 8.85e-16 | -0.249289213 | 4.213199231 | 6275.56836 | 147.0 | null | null | 140.2182138 | 131.4628672 | 37.46286715 | 73.48052135 | 65.61181782 | 18.70356953 | 12.83262313 | 12.83262313 | 8.447216484 | 8.447216484 | 4.846362463 | 4.846362463 | null | null | null | null | 410.6749199 | 35.63972246 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 93.27202292 | 1094.710354 | 0.487179487 | 0.884615385 | 1.320512821 | 0.719298246 | 141.0 | PEPTIDE1883{[Me_dA].[Me_Nva].[Me_dAbu].[Me_Nle].[Me_dAbu].[Me_dA].[Me_Nva].[Me_dAbu].[dP].[meY]}$PEPTIDE1883,PEPTIDE1883,1:R1-10:R2$$$ | PEPTIDE1883{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_Nle/">[Me_Nle]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/Me... | -6.28 | 78 | 1000.686 | 1883 | null | null | 1.42e+64 | 12.75131803 | 29.62540658 | 14.68804665 | 596.1934774 | null | 17.39981376 | 0.507966645 | 17.39981376 | 0.29309207 | 2.106676483 | 0.29309207 | -7.916191362 | -0.507966645 | 3.4425 | 297.1298 | 1095.438 | Circle | 10 | 10 | null | 1 | 21 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 11 | 1 | 21 | 0 | 30 | 0 | 2 | 2 | 438 | cpd.10.2 | -5.85 | -1.477119234 | 0.65221462 | 54.1079055 | 65.92843652 | 0.0 | 59.07179729 | 1.431199657 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 78.68788972 | 82.33547235 | 183.9421526 | 19.19061979 | null | -5.85 | null | null | null | null | null | -6.24 | null | null | null | 80.93 | 3 | CCCC[C@H]1C(=O)N(C)[C@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CCC)C(=O)N(C)[C@H](CC)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CCC)C(=O)N(C)[C@H](CC)C(=O)N1C | 180.5347258 | 59.07179729 | 1.431199657 | 48.99909731 | 0.0 | 197.8420853 | 69.27930179 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'Me_Nva', 'Me_dAbu', 'Me_Nle', 'Me_dAbu', 'Me_dA', 'Me_Nva', 'Me_dAbu', 'dP', 'meY'] | [0.1353999999999999, 0.9156, 0.5255000000000001, 1.3057, 0.5255000000000001, 0.1353999999999999, 0.9156, 0.5255000000000001, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 244.0691289 | 54.31829674 | 0.0 | 264.334233 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1883 | null | 223.33 | null | 842.3191579 | 0.0 | 141.092293 | 3.936372987 | -3.214467492 | -53.77530631 | -86.26767082 | -87.05440138 | -115.6193112 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.319427154 | null |
4c73e8326d93f55ec6c2642301c5ba459e27390a35374325f921ccc4c2ecd8cd | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,883 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'Me_Nva', 'Me_dAbu', 'Me_Nle', 'Me_dAbu', 'Me_dNle', 'Me_Nle', 'Me_dAbu', 'dP', 'meY'] | 96 | 1884 | -6.1 | -6.1 | Circle | 2 | -2.59e-16 | -2.72610565 | -2.74e-16 | -2.858372071 | -9.83e-17 | -1.131368724 | 3.81e-16 | -0.249291935 | 4.385502137 | 6753.920368 | 150.0 | null | null | 150.2182138 | 141.4628672 | 39.46286715 | 78.48052135 | 70.61181782 | 19.70356953 | 13.33262313 | 13.33262313 | 8.753118183 | 8.753118183 | 5.07743138 | 5.07743138 | null | null | below LOD (permeability was set to -10 by CycPeptMPDB) | null | 436.1666195 | 41.12275669 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 98.75505715 | 1150.772954 | 0.463414634 | 0.841463415 | 1.243902439 | 0.737704918 | 148.0 | PEPTIDE1884{[Me_dA].[Me_Nva].[Me_dAbu].[Me_Nle].[Me_dAbu].[Me_dNle].[Me_Nle].[Me_dAbu].[dP].[meY]}$PEPTIDE1884,PEPTIDE1884,1:R1-10:R2$$$ | PEPTIDE1884{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_Nle/">[Me_Nle]</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_dNle/">[Me_dNle]</a>.<a href="/monomers/Me_Nle/">[Me_Nle]</a>.<a href="/monomer... | -6.28 | 82 | 1048.73 | 1884 | null | null | 4.48e+68 | 13.08854926 | 32.53461428 | 16.28546462 | 632.8930098 | null | 17.80004141 | 0.507966645 | 17.80004141 | 0.29309207 | 2.157902822 | 0.29309207 | -8.19459603 | -0.507966645 | 5.0029 | 315.5978 | 1151.546 | Circle | 10 | 10 | null | 1 | 21 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 11 | 1 | 21 | 0 | 34 | 0 | 2 | 2 | 462 | cpd.10.3 | -6.1 | -2.736539272 | 1.057440765 | 54.1079055 | 65.92843652 | 0.0 | 59.07179729 | 1.431199657 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 104.6585565 | 81.85650514 | 194.9082211 | 19.19061979 | null | -6.1 | null | null | null | null | null | -10.0 | null | null | null | null | 3 | CCCC[C@H]1C(=O)N(C)[C@H](CC)C(=O)N(C)[C@H](CCCC)C(=O)N(C)[C@@H](CCCC)C(=O)N(C)[C@H](CC)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CCC)C(=O)N(C)[C@H](CC)C(=O)N1C | 191.5007942 | 59.07179729 | 1.431199657 | 48.99909731 | 0.0 | 223.3337849 | 69.27930179 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'Me_Nva', 'Me_dAbu', 'Me_Nle', 'Me_dAbu', 'Me_dNle', 'Me_Nle', 'Me_dAbu', 'dP', 'meY'] | [0.1353999999999999, 0.9156, 0.5255000000000001, 1.3057, 0.5255000000000001, 1.3057, 1.3057, 0.5255000000000001, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 244.0691289 | 54.31829674 | 0.0 | 300.792001 | 24.16967483 | 0.0 | 0.0 | 0 | 2017_Pye | 1884 | null | 223.33 | null | 921.7058719 | 0.0 | 142.7815512 | 3.93326745 | -3.283048494 | -55.76672921 | -89.06806547 | -116.5461926 | -117.3399881 | 0.0 | 1.0 | 2017 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.231956916 | null |
538ed4ae890358401da30e9ff58fd240974e57de7bc9a9308d8bd1fd3bfbbd25 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,884 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['K', 'A', 'S', 'Y', 'F'] | 25 | 1885 | -6.08 | -6.08 | Circle | 7 | 7.58e-17 | -2.672566805 | 1.63e-16 | -2.875104296 | 3.86e-16 | -1.086980515 | 10.22879127 | -0.244930993 | 3.138477313 | 2945.505136 | 218.0 | null | -6.08 | 66.19326975 | 60.54101961 | 20.54101961 | 36.71981431 | 30.08553554 | 10.63854379 | 6.870803422 | 6.870803422 | 4.064468088 | 4.064468088 | 2.353554011 | 2.353554011 | null | null | null | null | 214.9246895 | 16.44286715 | 14.38361155 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 48.38501632 | 596.2958476 | 0.813953488 | 1.395348837 | 2.0 | 0.433333333 | 210.0 | PEPTIDE1885{K.A.S.Y.F}$PEPTIDE1885,PEPTIDE1885,1:R1-5:R2$$$ | PEPTIDE1885{<a href="/monomers/K/">K</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1885,PEPTIDE1885,1:R1-5:R2$$$ | -4.49 | 43 | 556.365 | 1885 | null | null | 1.48e+16 | 8.359263084 | 16.22662783 | 10.07721382 | 306.3154608 | null | 15.49204974 | 0.507966645 | 15.49204974 | 0.29309207 | 1.371203483 | 0.29309207 | -6.067047344 | -0.507966645 | -1.2438 | 157.2755 | 596.685 | Circle | 5 | 5 | null | 9 | 13 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 8 | 8 | 13 | 0 | 13 | 0 | 1 | 1 | 232 | LB59 | null | 5.413641343 | 2.230479781 | 42.48640012 | 38.66265833 | 7.059210392 | 30.9670983 | 1.431199657 | 0.0 | 23.97268592 | 0.0 | 0.0 | 0.0 | 42.29693095 | 55.6792669 | 33.30722815 | 28.49112214 | 212.0 | -6.08 | null | null | null | null | null | null | null | null | null | null | 3 | C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O | 86.56671209 | 29.53589865 | 2.862399314 | 26.54906677 | 5.719716976 | 68.80597897 | 13.05584493 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['K', 'A', 'S', 'Y', 'F'] | [0.1629999999999996, -0.2068000000000003, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998] | [41.13, 29.1, 49.33, 49.33, 29.1] | 32.26878374 | 0.0 | 5.749511833 | 0.0 | 85.76122161 | 36.71853572 | 0.0 | 79.59108505 | 54.38176837 | 9.882894548 | 0.0 | 0 | 2018_Buckton | 1885 | null | 211.98 | null | 338.8407053 | 0.0 | 75.51479566 | -2.409711756 | -5.917927853 | -20.0066563 | -45.43223863 | -27.02786225 | -14.9777708 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 5 | 5 | 0 | 0 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.163602261 | null |
8bf640f4d7931bff7058ee85c4f87430bdd3b1562568c576031436b83fa9741a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,885 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(iPr)', 'A', 'S', 'Y', 'F'] | 32 | 1886 | -5.8 | -5.8 | Circle | 4 | -8.08e-19 | -2.706153203 | 5.43e-17 | -2.87511365 | 3.02e-17 | -1.108673176 | 3.96e-15 | -0.247849552 | 3.138958749 | 3251.314698 | 195.0 | null | -5.8 | 73.69326975 | 68.04101961 | 22.04101961 | 40.43113918 | 33.86192874 | 11.36215059 | 7.331213619 | 7.331213619 | 4.232173186 | 4.232173186 | 2.437406561 | 2.437406561 | null | null | null | null | 234.2364625 | 14.38984708 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 53.82696703 | 638.3427978 | 0.847826087 | 1.434782609 | 2.043478261 | 0.484848485 | 192.0 | PEPTIDE1886{[Lys(iPr)].A.S.Y.F}$PEPTIDE1886,PEPTIDE1886,1:R1-5:R2$$$ | PEPTIDE1886{<a href="/monomers/Lys(iPr)/">[Lys(iPr)]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1886,PEPTIDE1886,1:R1-5:R2$$$ | -4.49 | 46 | 592.398 | 1886 | null | null | 1.61e+22 | 8.502254594 | 17.85650263 | 11.4583085 | 333.992025 | null | 15.72445332 | 0.507966645 | 15.72445332 | 0.29309207 | 1.521720834 | 0.29309207 | -6.326888259 | -0.507966645 | -0.2045 | 171.3598 | 638.766 | Circle | 5 | 5 | null | 8 | 13 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 8 | 8 | 13 | 0 | 16 | 0 | 1 | 1 | 250 | compd.1 | null | 4.494113471 | 1.422395528 | 42.0764965 | 37.25081625 | 7.059210392 | 30.9670983 | 1.431199657 | 0.0 | 23.97268592 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.6792669 | 48.92043051 | 28.49112214 | 198.0 | -5.8 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O | 94.75017991 | 29.53589865 | 2.862399314 | 31.85888012 | 0.0 | 88.52765567 | 13.05584493 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Lys(iPr)', 'A', 'S', 'Y', 'F'] | [0.9415999999999992, -0.2068000000000003, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998] | [41.13, 29.1, 49.33, 49.33, 29.1] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 91.77911408 | 36.71853572 | 0.0 | 102.8901792 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2018_Buckton | 1886 | null | 197.99 | null | 391.163742 | 0.0 | 76.45014067 | -4.61619864 | -4.69981953 | -20.63387892 | -51.66797001 | -28.5193747 | -25.14330752 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 5 | 5 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.154797968 | null |
901132ea028c62552db6065a19eee2b69574336c7fa68655ea5524b0846323db | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,886 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(iPr)', 'A', 'Ser(Me)', 'Y', 'F'] | 38 | 1887 | -6.24 | -6.24 | Circle | 7 | -9.82e-17 | -2.706160618 | 6.65e-17 | -2.875551137 | 2.8e-17 | -1.108682722 | 3.4e-15 | -0.248066251 | 3.180164911 | 3355.68089 | 187.0 | null | -6.24 | 76.19326975 | 70.54101961 | 22.54101961 | 41.57758579 | 35.1578046 | 11.56627473 | 7.433275691 | 7.433275691 | 4.283204223 | 4.283204223 | 2.485743852 | 2.485743852 | null | null | null | null | 241.274415 | 15.80168916 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 55.09620096 | 652.3584479 | 0.872340426 | 1.468085106 | 2.085106383 | 0.5 | 184.0 | PEPTIDE1887{[Lys(iPr)].A.[Ser(Me)].Y.F}$PEPTIDE1887,PEPTIDE1887,1:R1-5:R2$$$ | PEPTIDE1887{<a href="/monomers/Lys(iPr)/">[Lys(iPr)]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Ser(Me)/">[Ser(Me)]</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1887,PEPTIDE1887,1:R1-5:R2$$$ | -4.49 | 47 | 604.409 | 1887 | null | null | 1.9e+24 | 8.558924784 | 18.60471039 | 12.32454749 | 343.3995493 | null | 15.78599795 | 0.507966645 | 15.78599795 | 0.29309207 | 1.554850765 | 0.29309207 | -6.382363466 | -0.507966645 | 0.4496 | 176.15 | 652.793 | Circle | 5 | 5 | null | 7 | 13 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 8 | 7 | 13 | 0 | 17 | 0 | 1 | 1 | 256 | compd.2 | null | 4.629093104 | 0.452709472 | 41.70455126 | 37.25081625 | 7.059210392 | 29.53589865 | 1.431199657 | 0.0 | 23.97268592 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.6792669 | 55.95838297 | 32.60339781 | 187.0 | -6.24 | null | null | null | null | null | null | null | null | null | null | 3 | COC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 98.49051034 | 29.53589865 | 1.431199657 | 31.85888012 | 0.0 | 88.52765567 | 20.09379739 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Lys(iPr)', 'A', 'Ser(Me)', 'Y', 'F'] | [0.9415999999999992, -0.2068000000000003, -0.5803000000000003, 0.7215999999999996, 1.0159999999999998] | [41.13, 29.1, 38.33, 49.33, 29.1] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 92.27705869 | 41.45539868 | 0.0 | 107.0024548 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2018_Buckton | 1887 | null | 186.99 | null | 412.3580618 | 0.0 | 77.10196463 | -8.566758899 | -4.786653165 | -21.05172104 | -52.5152018 | -28.76967136 | -25.58442123 | -4.602265588 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 5 | 5 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.161106512 | null |
f605dddac98016c46e69b50abea36b94338f5d051c2006fbaecf5b093e37f071 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,887 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(iPr)', 'A', 'Ser(tBu)', 'Y', 'F'] | 39 | 1888 | -6.96 | -6.96 | Circle | 7 | -1.22e-16 | -2.706225031 | -2.76e-17 | -2.878713101 | 2.31e-17 | -1.112899971 | 1.45e-15 | -0.249206006 | 3.289537679 | 3642.891324 | 193.0 | null | -6.96 | 83.69326975 | 78.04101961 | 24.04101961 | 45.32758579 | 38.9078046 | 12.31627473 | 8.114461909 | 8.114461909 | 4.436297332 | 4.436297332 | 2.562290406 | 2.562290406 | null | null | null | null | 260.3931897 | 15.20159468 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 59.12630958 | 694.4053981 | 0.86 | 1.44 | 2.04 | 0.540540541 | 187.0 | PEPTIDE1888{[Lys(iPr)].A.[Ser(tBu)].Y.F}$PEPTIDE1888,PEPTIDE1888,1:R1-5:R2$$$ | PEPTIDE1888{<a href="/monomers/Lys(iPr)/">[Lys(iPr)]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1888,PEPTIDE1888,1:R1-5:R2$$$ | -4.49 | 50 | 640.442 | 1888 | null | null | 2.14e+29 | 8.749925766 | 19.0485475 | 13.78993924 | 370.9241987 | null | 15.99927129 | 0.507966645 | 15.99927129 | 0.29309207 | 1.641343942 | 0.29309207 | -6.523763259 | -0.507966645 | 1.6183 | 189.979 | 694.874 | Circle | 5 | 5 | null | 7 | 13 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 8 | 7 | 13 | 0 | 16 | 0 | 1 | 1 | 274 | compd.3 | null | 3.924196184 | 0.795184902 | 41.70455126 | 37.25081625 | 7.059210392 | 29.53589865 | 1.431199657 | 0.0 | 23.97268592 | 0.0 | 0.0 | 0.0 | 56.00071519 | 76.23494326 | 61.25725751 | 34.09217295 | 187.0 | -6.96 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](C)NC1=O | 106.7150617 | 29.53589865 | 1.431199657 | 31.85888012 | 0.0 | 114.6843828 | 13.05584493 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Lys(iPr)', 'A', 'Ser(tBu)', 'Y', 'F'] | [0.9415999999999992, -0.2068000000000003, 0.5883999999999996, 0.7215999999999996, 1.0159999999999998] | [41.13, 29.1, 38.33, 49.33, 29.1] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 90.84015704 | 41.45539868 | 0.0 | 135.7826825 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2018_Buckton | 1888 | null | 186.99 | null | 466.7120282 | 0.0 | 78.64845025 | -9.373034725 | -10.54834581 | -22.07305207 | -54.60811406 | -29.40966862 | -42.01492983 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 5 | 5 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.163417838 | null |
0f439fc8f6fb10fa9b77476d08fd82da15aebfbd26b24297f1509e985eaa060d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,888 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(Cbz)', 'A', 'Ser(Me)', 'Y', 'F'] | 38 | 1889 | -10.0 | -10 | Circle | 6 | -5.28e-17 | -2.671721271 | 3.71e-16 | -2.875539497 | 0.236757112 | -1.07654454 | 10.46649956 | -0.246287478 | 2.502028461 | 3880.131593 | 205.0 | null | -10.0 | 80.94182842 | 73.85751619 | 25.85751619 | 45.13682242 | 37.02017703 | 13.42864717 | 8.554700558 | 8.554700558 | 5.003091239 | 5.003091239 | 2.894024651 | 2.894024651 | null | was insoluble and could not be tested for permeability (permeability was set to -10 by CycPeptMPDB) | null | null | 269.9805086 | 20.59622634 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 55.09620096 | 744.3482771 | 0.777777778 | 1.333333333 | 1.944444444 | 0.384615385 | 204.0 | PEPTIDE1889{[Lys(Cbz)].A.[Ser(Me)].Y.F}$PEPTIDE1889,PEPTIDE1889,1:R1-5:R2$$$ | PEPTIDE1889{<a href="/monomers/Lys(Cbz)/">[Lys(Cbz)]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Ser(Me)/">[Ser(Me)]</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1889,PEPTIDE1889,1:R1-5:R2$$$ | -5.96 | 54 | 696.462 | 1889 | null | null | 4.1700000000000005e+28 | 10.83718186 | 20.91878121 | 13.22391324 | 381.3667688 | null | 15.8739964 | 0.507966645 | 15.8739964 | 0.406964596 | 1.232382676 | 0.406964596 | -6.389396263 | -0.507966645 | 1.378 | 197.641 | 744.846 | Circle | 5 | 5 | null | 7 | 15 | null | null | 0 | 1 | 1 | 3 | 0 | 3 | 9 | 7 | 15 | 0 | 16 | 0 | 1 | 1 | 288 | compd.4 | null | 3.927981683 | 0.455337017 | 46.44141422 | 42.39795942 | 8.47105247 | 29.53589865 | 1.431199657 | 6.093240071 | 23.97268592 | 4.794537184 | 0.0 | 0.0 | 72.50902449 | 54.74585871 | 46.84204029 | 42.1987077 | 213.0 | -10.0 | null | null | null | null | null | null | null | null | null | null | 4 | COC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 108.0219105 | 35.62913872 | 1.431199657 | 31.85888012 | 0.0 | 75.36496421 | 20.09379739 | 101.2842164 | 0 | 5.749511833 | null | null | null | null | ['Lys(Cbz)', 'A', 'Ser(Me)', 'Y', 'F'] | [1.869999999999999, -0.2068000000000003, -0.5803000000000003, 0.7215999999999996, 1.0159999999999998] | [67.43, 29.1, 38.33, 49.33, 29.1] | 31.85888012 | 4.794537184 | 5.749511833 | 0.0 | 92.35240629 | 52.75124687 | 0.0 | 98.8621221 | 84.59386191 | 8.47105247 | 0.0 | 0 | 2018_Buckton | 1889 | null | 213.29 | null | 419.9246507 | 0.0 | 91.06892235 | -8.49484812 | -6.469871617 | -21.09506301 | -54.79050499 | -31.78568423 | -20.49209122 | -4.615509832 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.125866418 | null |
1bc1c88c966ce624743ce1c51b595643bfdbf51f10e5f179a13290761c9c30bd | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,889 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(Me2)', 'A', 'Ser(tBu)', 'Y', 'F'] | 39 | 1890 | -6.18 | -6.18 | Circle | 3 | -1.64e-16 | -2.699279003 | -5.43e-17 | -2.878713105 | -2.44e-17 | -1.112669139 | 2.06e-15 | -0.248221132 | 3.298328898 | 3529.70529 | 175.0 | null | -6.18 | 81.19326975 | 75.54101961 | 23.54101961 | 44.03891065 | 37.6841978 | 12.03988153 | 7.989461909 | 7.989461909 | 4.380395632 | 4.380395632 | 2.534339557 | 2.534339557 | null | null | null | null | 254.2132632 | 13.78975261 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 57.75555103 | 680.389748 | 0.795918367 | 1.367346939 | 1.959183673 | 0.527777778 | 176.0 | PEPTIDE1890{[Lys(Me2)].A.[Ser(tBu)].Y.F}$PEPTIDE1890,PEPTIDE1890,1:R1-5:R2$$$ | PEPTIDE1890{<a href="/monomers/Lys(Me2)/">[Lys(Me2)]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1890,PEPTIDE1890,1:R1-5:R2$$$ | -4.49 | 49 | 628.431 | 1890 | null | null | 2.21e+28 | 8.683106399 | 18.32129191 | 13.5040931 | 361.9012304 | null | 15.96047425 | 0.507966645 | 15.96047425 | 0.29309207 | 1.564173359 | 0.29309207 | -6.462423619 | -0.507966645 | 1.1819 | 185.3943 | 680.847 | Circle | 5 | 5 | null | 6 | 13 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 8 | 6 | 13 | 0 | 15 | 0 | 1 | 1 | 268 | compd.5 | null | 4.154870863 | 0.735167689 | 41.29464764 | 35.83897418 | 7.059210392 | 29.53589865 | 1.431199657 | 0.0 | 23.97268592 | 0.0 | 0.0 | 0.0 | 42.29693095 | 90.18659706 | 53.86860649 | 34.09217295 | 178.0 | -6.18 | null | null | null | null | null | null | null | null | null | null | 3 | C[C@@H]1NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](COC(C)(C)C)NC1=O | 103.932461 | 29.53589865 | 1.431199657 | 31.4489765 | 0.0 | 94.96270613 | 27.00749873 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Lys(Me2)', 'A', 'Ser(tBu)', 'Y', 'F'] | [0.5051999999999996, -0.2068000000000003, 0.5883999999999996, 0.7215999999999996, 1.0159999999999998] | [32.34, 29.1, 38.33, 49.33, 29.1] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 103.6738281 | 41.45539868 | 0.0 | 120.7081397 | 54.38176837 | 7.059210392 | 0.0 | 0 | 2018_Buckton | 1890 | null | 178.2 | null | 449.1132465 | 0.0 | 76.8445988 | -7.454677688 | -10.48708819 | -21.90900532 | -49.2568323 | -29.08125773 | -41.68565073 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 5 | 5 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.191757615 | null |
835d1c1be48ac59e406ac867d98ab96c3a8bbf35e25268a60a109b57828b1923 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,890 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['K', 'N', 'S', 'Y', 'F'] | 25 | 1891 | -5.49 | -5.49 | Circle | 6 | 4.12e-17 | -2.672530922 | 1.71e-16 | -2.879500941 | 4.21e-16 | -1.086949095 | 10.40529954 | -0.18972768 | 3.207556987 | 3118.332352 | 264.0 | null | -5.49 | 69.34797029 | 62.89648149 | 21.89648149 | 38.57387359 | 31.15769368 | 11.31627473 | 7.300955986 | 7.300955986 | 4.289802523 | 4.289802523 | 2.53625937 | 2.53625937 | null | null | null | null | 226.072619 | 19.18438426 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 47.09642481 | 639.3016613 | 0.782608696 | 1.326086957 | 1.934782609 | 0.419354839 | 259.0 | PEPTIDE1891{K.N.S.Y.F}$PEPTIDE1891,PEPTIDE1891,1:R1-5:R2$$$ | PEPTIDE1891{<a href="/monomers/K/">K</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1891,PEPTIDE1891,1:R1-5:R2$$$ | -5.02 | 46 | 598.382 | 1891 | null | null | 1.93e+18 | 9.287648976 | 17.46292235 | 10.85245693 | 323.7028995 | null | 15.61625986 | 0.507966645 | 15.61625986 | 0.29309207 | 1.413880455 | 0.29309207 | -6.224295312 | -0.507966645 | -2.3883 | 165.4129 | 639.71 | Circle | 5 | 5 | null | 11 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 9 | 15 | 0 | 14 | 0 | 1 | 1 | 248 | LB51 | -5.53 | 4.739009334 | 3.730096843 | 48.2061171 | 38.66265833 | 9.882894548 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 42.29693095 | 48.82737479 | 31.93646959 | 34.86404704 | 255.0 | -5.49 | null | null | null | null | null | null | null | null | null | null | 3 | NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O | 92.81417488 | 35.44307838 | 2.862399314 | 26.54906677 | 11.43943395 | 68.32701175 | 13.05584493 | 65.50867135 | 0 | 5.749511833 | [['PAMPA']] | [2289] | [['-5.52']] | ['2018_Lee'] | ['K', 'N', 'S', 'Y', 'F'] | [0.1629999999999996, -1.3512999999999995, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998] | [41.13, 72.19, 49.33, 49.33, 29.1] | 37.98850072 | 0.0 | 5.749511833 | 0.0 | 91.66840134 | 41.51307291 | 0.0 | 77.74135927 | 54.38176837 | 12.7065787 | 0.0 | 0 | 2018_Buckton | 1891 | null | 255.07 | null | 348.3336981 | 0.0 | 89.92073059 | -2.90550853 | -7.611179849 | -23.84446074 | -46.6213501 | -33.00359957 | -10.01832994 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.118756993 | null |
8896083d7b558ef45aec45eb5141392ca14b9833e0b18e31745c5b4444fecfbc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,891 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(Me2)', 'N', 'S', 'Y', 'F'] | 32 | 1892 | -5.98 | -5.98 | Circle | 7 | -3.14e-18 | -2.699133061 | 7.97e-17 | -2.879436562 | 1.72e-16 | -1.099940353 | 10.20174502 | -0.244322203 | 3.229011948 | 3314.404035 | 217.0 | null | -5.98 | 74.34797029 | 67.89648149 | 22.89648149 | 40.99652332 | 33.71048008 | 11.76348833 | 7.636366183 | 7.636366183 | 4.401605922 | 4.401605922 | 2.59216107 | 2.59216107 | null | null | null | null | 239.2044655 | 15.80168916 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 51.08544991 | 667.3329614 | 0.833333333 | 1.375 | 1.979166667 | 0.454545455 | 218.0 | PEPTIDE1892{[Lys(Me2)].N.S.Y.F}$PEPTIDE1892,PEPTIDE1892,1:R1-5:R2$$$ | PEPTIDE1892{<a href="/monomers/Lys(Me2)/">[Lys(Me2)]</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1892,PEPTIDE1892,1:R1-5:R2$$$ | -5.02 | 48 | 622.404 | 1892 | null | null | 8.08e+22 | 9.355334105 | 18.35199146 | 11.96820115 | 342.3564954 | null | 15.79043341 | 0.507966645 | 15.79043341 | 0.29309207 | 1.538880455 | 0.29309207 | -6.422796588 | -0.507966645 | -1.7854 | 174.9125 | 667.764 | Circle | 5 | 5 | null | 9 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 8 | 15 | 0 | 16 | 0 | 1 | 1 | 260 | compd.6 | null | 4.105063455 | 2.484834926 | 47.38630986 | 35.83897418 | 9.882894548 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 42.29693095 | 62.77902859 | 40.16102093 | 34.86404704 | 232.0 | -5.98 | null | null | null | null | null | null | null | null | null | null | 3 | CN(C)CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O | 98.21504206 | 35.44307838 | 2.862399314 | 31.4489765 | 5.719716976 | 68.32701175 | 27.00749873 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Lys(Me2)', 'N', 'S', 'Y', 'F'] | [0.5051999999999996, -1.3512999999999995, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998] | [32.34, 72.19, 49.33, 49.33, 29.1] | 32.26878374 | 0.0 | 5.749511833 | 0.0 | 110.5199649 | 41.51307291 | 0.0 | 85.96591061 | 54.38176837 | 9.882894548 | 0.0 | 0 | 2018_Buckton | 1892 | null | 232.29 | null | 383.3153134 | 0.0 | 89.18312024 | -3.260674718 | -6.35580896 | -24.37389647 | -47.59531794 | -34.26096766 | -19.90176786 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.119380394 | null |
af789008aa94df53118c00024e4e0ee16228d3a23bba453ca8c0f7fa8d7e0499 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,892 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(Me2)', 'N', 'S', 'Tyr(Me)', 'F'] | 38 | 1893 | -6.24 | -6.24 | Circle | 4 | -6.37e-17 | -2.699133547 | 3.79e-17 | -2.879438098 | 2.52e-16 | -1.09994623 | 10.14689461 | -0.246165975 | 3.23633748 | 3419.116601 | 206.0 | null | -6.24 | 76.84797029 | 70.39648149 | 23.39648149 | 42.14296993 | 35.00635593 | 11.96761248 | 7.738428256 | 7.738428256 | 4.503667995 | 4.503667995 | 2.643192106 | 2.643192106 | null | null | null | null | 246.242418 | 15.80168916 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 53.76652592 | 681.3486115 | 0.857142857 | 1.408163265 | 2.020408163 | 0.470588235 | 202.0 | PEPTIDE1893{[Lys(Me2)].N.S.[Tyr(Me)].F}$PEPTIDE1893,PEPTIDE1893,1:R1-5:R2$$$ | PEPTIDE1893{<a href="/monomers/Lys(Me2)/">[Lys(Me2)]</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1893,PEPTIDE1893,1:R1-5:R2$$$ | -5.02 | 49 | 634.415 | 1893 | null | null | 4.78e+23 | 9.397427062 | 19.09615658 | 12.50292831 | 351.7640197 | null | 15.843235 | 0.496768219 | 15.843235 | 0.245136648 | 1.550992643 | 0.245136648 | -6.453663935 | -0.496768219 | -1.4824 | 179.7997 | 681.791 | Circle | 5 | 5 | null | 8 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 7 | 15 | 0 | 17 | 0 | 1 | 1 | 266 | compd.7 | null | 3.905077757 | 2.266145318 | 47.01436462 | 35.83897418 | 9.882894548 | 36.87427803 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 42.29693095 | 62.77902859 | 40.16102093 | 46.01427517 | 221.0 | -6.24 | null | null | null | null | null | null | null | null | null | null | 3 | COc1ccc(C[C@@H]2NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 101.9553725 | 35.44307838 | 1.431199657 | 31.4489765 | 5.719716976 | 68.32701175 | 34.04545119 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Lys(Me2)', 'N', 'S', 'Tyr(Me)', 'F'] | [0.5051999999999996, -1.3512999999999995, -1.2344000000000002, 1.0245999999999995, 1.0159999999999998] | [32.34, 72.19, 49.33, 38.33, 29.1] | 37.0056467 | 0.0 | 5.749511833 | 0.0 | 111.0179095 | 41.51307291 | 0.0 | 90.07818628 | 54.38176837 | 9.882894548 | 0.0 | 0 | 2018_Buckton | 1893 | null | 221.29 | null | 404.0471906 | 0.0 | 89.49625812 | -7.404655393 | -6.499356984 | -24.7853886 | -48.53378874 | -34.50132731 | -19.99415401 | -3.824777648 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 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 | 0.122395312 | null |
38305eee119e4c0be311098ec3d675bd514a3f95a33673eaac79fb3d54aed0de | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,893 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(Me)', 'N', 'S', 'Tyr(Me)', 'F'] | 37 | 1894 | -5.72 | -5.72 | Circle | 2 | 2.39e-17 | -2.682067646 | 7.79e-17 | -2.879480421 | 3.38e-16 | -1.089261266 | 10.2018204 | -0.245963081 | 3.218959268 | 3328.404035 | 225.0 | null | -5.72 | 74.34797029 | 67.89648149 | 22.89648149 | 40.93164506 | 33.72996273 | 11.74400568 | 7.514821458 | 7.514821458 | 4.447766295 | 4.447766295 | 2.615241256 | 2.615241256 | null | null | null | null | 239.6764947 | 15.80168916 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 51.06609233 | 667.3329614 | 0.895833333 | 1.458333333 | 2.083333333 | 0.454545455 | 223.0 | PEPTIDE1894{[Lys(Me)].N.S.[Tyr(Me)].F}$PEPTIDE1894,PEPTIDE1894,1:R1-5:R2$$$ | PEPTIDE1894{<a href="/monomers/Lys(Me)/">[Lys(Me)]</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1894,PEPTIDE1894,1:R1-5:R2$$$ | -5.02 | 48 | 622.404 | 1894 | null | null | 2.56e+23 | 9.355334105 | 18.95882869 | 11.6510928 | 342.4372218 | null | 15.75614823 | 0.496768219 | 15.75614823 | 0.245136648 | 1.488492643 | 0.245136648 | -6.354413297 | -0.496768219 | -1.8246 | 175.1724 | 667.764 | Circle | 5 | 5 | null | 9 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 8 | 15 | 0 | 16 | 0 | 1 | 1 | 260 | compd.8 | null | 4.208186875 | 2.263685438 | 47.42426824 | 37.25081625 | 9.882894548 | 36.87427803 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 42.29693095 | 55.80320169 | 36.04874526 | 46.01427517 | 230.0 | -5.72 | null | null | null | null | null | null | null | null | null | null | 3 | CNCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O | 99.2549389 | 35.44307838 | 1.431199657 | 31.85888012 | 5.719716976 | 68.32701175 | 27.06962429 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Lys(Me)', 'N', 'S', 'Tyr(Me)', 'F'] | [0.1629999999999996, -1.3512999999999995, -1.2344000000000002, 1.0245999999999995, 1.0159999999999998] | [41.13, 72.19, 49.33, 38.33, 29.1] | 42.31546005 | 0.0 | 5.749511833 | 0.0 | 99.14217285 | 41.51307291 | 0.0 | 85.96591061 | 54.38176837 | 11.29473663 | 0.0 | 0 | 2018_Buckton | 1894 | null | 230.08 | null | 386.2385164 | 0.0 | 90.64661571 | -8.71642713 | -6.420102202 | -24.52067073 | -48.04680482 | -33.87264327 | -14.74984151 | -3.808642444 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 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 | 0.112275657 | null |
b2bb2e94a8d0f97a4ca1d11c90c1a65be88f3e3a2b9be54bcd96b2e088cb80fd | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,894 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(Me2)', 'N', 'Ser(Me)', 'Tyr(Me)', 'F'] | 44 | 1895 | -5.26 | -5.26 | Circle | 9 | -8.35e-17 | -2.699147452 | 2.61e-17 | -2.879910476 | 9.51e-17 | -1.099957533 | 10.09758634 | -0.246416291 | 3.282812609 | 3524.266089 | 207.0 | null | -5.26 | 79.34797029 | 72.89648149 | 23.89648149 | 43.28941654 | 36.30223179 | 12.17173662 | 7.840490328 | 7.840490328 | 4.554699031 | 4.554699031 | 2.691529397 | 2.691529397 | null | null | null | null | 253.2803704 | 18.54320627 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 9.473725908 | 53.70608482 | 695.3642615 | 0.8 | 1.36 | 1.98 | 0.485714286 | 206.0 | PEPTIDE1895{[Lys(Me2)].N.[Ser(Me)].[Tyr(Me)].F}$PEPTIDE1895,PEPTIDE1895,1:R1-5:R2$$$ | PEPTIDE1895{<a href="/monomers/Lys(Me2)/">[Lys(Me2)]</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/Ser(Me)/">[Ser(Me)]</a>.<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1895,PEPTIDE1895,1:R1-5:R2$$$ | -5.02 | 50 | 646.426 | 1895 | null | null | 2.25e+26 | 9.444270336 | 19.84721507 | 12.78190149 | 361.1715441 | null | 15.90477963 | 0.496768219 | 15.90477963 | 0.245146755 | 1.569482226 | 0.245146755 | -6.509139141 | -0.496768219 | -0.8283 | 184.5899 | 695.818 | Circle | 5 | 5 | null | 7 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 6 | 15 | 0 | 18 | 0 | 1 | 1 | 272 | compd.9 | -5.27 | 3.929095971 | 1.367301634 | 46.64241938 | 35.83897418 | 9.882894548 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 42.29693095 | 62.77902859 | 47.19897338 | 50.12655084 | 210.0 | -5.26 | null | null | null | null | null | null | null | null | null | null | 3 | COC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O | 105.6957029 | 35.44307838 | 0.0 | 31.4489765 | 5.719716976 | 68.32701175 | 41.08340365 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Lys(Me2)', 'N', 'Ser(Me)', 'Tyr(Me)', 'F'] | [0.5051999999999996, -1.3512999999999995, -0.5803000000000003, 1.0245999999999995, 1.0159999999999998] | [32.34, 72.19, 38.33, 38.33, 29.1] | 37.0056467 | 0.0 | 5.749511833 | 0.0 | 111.5158541 | 46.24993586 | 0.0 | 94.19046195 | 54.38176837 | 9.882894548 | 0.0 | 0 | 2018_Buckton | 1895 | null | 210.29 | null | 425.3509312 | 0.0 | 90.21667927 | -11.33351191 | -6.623070784 | -25.25693443 | -49.35674164 | -34.83191911 | -20.36003749 | -8.555395148 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 2 | 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 | 0.136156098 | null |
00b49bbdbd3c448049137ec1618ceb95dd727ebba4249e43433edf8f8090b0d0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,895 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(Me2)', 'N', 'S', 'Tyr(Me)', 'N'] | 38 | 1896 | -5.36 | -5.36 | Circle | 2 | -1.57e-17 | -2.69877197 | 1.32e-17 | -2.879527545 | 1.21e-16 | -1.099945219 | 10.16179207 | -0.246165248 | 4.042027782 | 3008.411862 | 267.0 | null | -5.36 | 72.53856922 | 65.75194338 | 21.75194338 | 39.32160272 | 32.32851407 | 10.89534342 | 7.04358082 | 7.04358082 | 3.98560073 | 3.98560073 | 2.313578548 | 2.313578548 | null | null | null | null | 222.0937696 | 21.91966585 | 14.38361155 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 58.00205216 | 648.323125 | 0.891304348 | 1.413043478 | 1.97826087 | 0.551724138 | 263.0 | PEPTIDE1896{[Lys(Me2)].N.S.[Tyr(Me)].N}$PEPTIDE1896,PEPTIDE1896,1:R1-5:R2$$$ | PEPTIDE1896{<a href="/monomers/Lys(Me2)/">[Lys(Me2)]</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/N/">N</a>}$PEPTIDE1896,PEPTIDE1896,1:R1-5:R2$$$ | -4.77 | 46 | 604.366 | 1896 | null | null | 4.13e+20 | 8.974218261 | 18.25967606 | 12.3161838 | 328.4744822 | null | 15.3484042 | 0.496768219 | 15.3484042 | 0.245136648 | 1.55204437 | 0.245136648 | -6.421052734 | -0.496768219 | -3.8497 | 163.4651 | 648.718 | Circle | 5 | 5 | null | 10 | 17 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 10 | 8 | 17 | 0 | 17 | 0 | 1 | 1 | 254 | compd.10 | null | 3.511325673 | 1.482619891 | 52.73408159 | 35.83897418 | 12.7065787 | 42.78145776 | 0.0 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 12.08483742 | 57.2155771 | 33.78809602 | 45.53340729 | 264.0 | -5.36 | null | null | null | null | null | null | null | null | null | null | 2 | COc1ccc(C[C@@H]2NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)cc1 | 102.719801 | 41.35025811 | 1.431199657 | 31.4489765 | 11.43943395 | 68.32701175 | 34.04545119 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Lys(Me2)', 'N', 'S', 'Tyr(Me)', 'N'] | [0.5051999999999996, -1.3512999999999995, -1.2344000000000002, 1.0245999999999995, -1.3512999999999995] | [32.34, 72.19, 49.33, 38.33, 72.19] | 42.72536367 | 0.0 | 5.749511833 | 0.0 | 116.9250892 | 39.93468519 | 0.0 | 84.03386691 | 24.16967483 | 12.7065787 | 0.0 | 0 | 2018_Buckton | 1896 | null | 264.38 | null | 370.7310128 | 0.0 | 101.3171722 | -7.608079703 | -5.681808357 | -28.09995667 | -38.77033859 | -34.51206902 | -19.90318067 | -3.806085251 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 1 | 5 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.096538576 | null |
bac1b026755a6640f636eec30c59c23241f5a35ceb14489801752571c5db46d7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,896 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(Me2)', 'N', 'N', 'Tyr(Me)', 'N'] | 38 | 1897 | -5.59 | -5.59 | Circle | 3 | 4.47e-17 | -2.698775435 | 4.37e-17 | -2.872476734 | 1.46e-16 | -1.099946314 | 10.23700896 | -0.246166399 | 4.121907368 | 3154.098266 | 277.0 | null | -5.59 | 74.98616297 | 67.69915697 | 22.69915697 | 40.61500183 | 33.28829977 | 11.36895022 | 7.371671312 | 7.371671312 | 4.114260583 | 4.114260583 | 2.429807026 | 2.429807026 | null | null | null | null | 233.534606 | 18.49588722 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 58.0237781 | 675.334024 | 0.770833333 | 1.208333333 | 1.666666667 | 0.533333333 | 270.0 | PEPTIDE1897{[Lys(Me2)].N.N.[Tyr(Me)].N}$PEPTIDE1897,PEPTIDE1897,1:R1-5:R2$$$ | PEPTIDE1897{<a href="/monomers/Lys(Me2)/">[Lys(Me2)]</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/N/">N</a>}$PEPTIDE1897,PEPTIDE1897,1:R1-5:R2$$$ | -5.26 | 48 | 630.384 | 1897 | null | null | 1.46e+23 | 9.455849657 | 18.77780907 | 13.22856891 | 340.9810169 | null | 15.45408707 | 0.496768219 | 15.45408707 | 0.243278379 | 1.575017017 | 0.243278379 | -6.487902461 | -0.496768219 | -3.9666 | 170.1907 | 675.744 | Circle | 5 | 5 | null | 11 | 18 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 10 | 8 | 18 | 0 | 17 | 0 | 1 | 1 | 264 | compd.11 | null | 3.335966431 | 1.532420683 | 53.34499038 | 35.83897418 | 15.53026286 | 47.25743783 | 0.0 | 0.0 | 38.35629747 | 0.0 | 0.0 | 0.0 | 12.08483742 | 57.2155771 | 36.52961314 | 42.60582984 | 287.0 | -5.59 | null | null | null | null | null | null | null | null | null | null | 2 | COc1ccc(C[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)cc1 | 105.2292142 | 47.25743783 | 0.0 | 31.4489765 | 17.15915093 | 74.69993665 | 27.48646594 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Lys(Me2)', 'N', 'N', 'Tyr(Me)', 'N'] | [0.5051999999999996, -1.3512999999999995, -1.3512999999999995, 1.0245999999999995, -1.3512999999999995] | [32.34, 72.19, 72.19, 38.33, 72.19] | 48.44508065 | 0.0 | 5.749511833 | 0.0 | 109.7332759 | 44.72922237 | 0.0 | 90.40679181 | 24.16967483 | 15.53026286 | 0.0 | 0 | 2018_Buckton | 1897 | null | 287.24 | null | 379.964704 | 0.0 | 115.6109618 | -11.58184246 | -7.447611722 | -32.02300783 | -39.62306282 | -40.55377776 | -14.67042888 | -3.84260107 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 1 | 5 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.088532612 | null |
146503090c37ae34994c170e8d92185953af2029c80520fa8a7182bd6d89789d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,897 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Lys(Me2)', 'N', 'Ser(Me)', 'Tyr(Me)', 'N'] | 44 | 1898 | -5.63 | -5.63 | Circle | 1 | -1.05e-16 | -2.698786953 | 8.44e-18 | -2.87999972 | 1.19e-16 | -1.099956547 | 10.1147535 | -0.246415771 | 4.10848871 | 3111.68572 | 249.0 | null | -5.63 | 75.03856922 | 68.25194338 | 22.25194338 | 40.46804933 | 33.62438992 | 11.09946756 | 7.145642893 | 7.145642893 | 4.036631767 | 4.036631767 | 2.361915839 | 2.361915839 | null | null | null | null | 229.1317221 | 13.70135004 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 9.473725908 | 59.31236961 | 662.3387751 | 0.829787234 | 1.361702128 | 1.936170213 | 0.566666667 | 251.0 | PEPTIDE1898{[Lys(Me2)].N.[Ser(Me)].[Tyr(Me)].N}$PEPTIDE1898,PEPTIDE1898,1:R1-5:R2$$$ | PEPTIDE1898{<a href="/monomers/Lys(Me2)/">[Lys(Me2)]</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/Ser(Me)/">[Ser(Me)]</a>.<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/N/">N</a>}$PEPTIDE1898,PEPTIDE1898,1:R1-5:R2$$$ | -4.77 | 47 | 616.377 | 1898 | null | null | 2.62e+23 | 9.016250412 | 19.02085061 | 13.23918613 | 337.8820066 | null | 15.4547005 | 0.496768219 | 15.4547005 | 0.245146755 | 1.570533953 | 0.245146755 | -6.476527941 | -0.496768219 | -3.1956 | 168.2553 | 662.745 | Circle | 5 | 5 | null | 9 | 17 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 10 | 7 | 17 | 0 | 18 | 0 | 1 | 1 | 260 | compd.12 | null | 3.612595585 | 0.521920903 | 52.36213636 | 35.83897418 | 12.7065787 | 41.35025811 | 0.0 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 12.08483742 | 57.2155771 | 40.82604848 | 49.64568296 | 253.0 | -5.63 | null | null | null | null | null | null | null | null | null | null | 2 | COC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O | 106.4601315 | 41.35025811 | 0.0 | 31.4489765 | 11.43943395 | 68.32701175 | 41.08340365 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Lys(Me2)', 'N', 'Ser(Me)', 'Tyr(Me)', 'N'] | [0.5051999999999996, -1.3512999999999995, -0.5803000000000003, 1.0245999999999995, -1.3512999999999995] | [32.34, 72.19, 38.33, 38.33, 72.19] | 42.72536367 | 0.0 | 5.749511833 | 0.0 | 117.4230338 | 44.67154814 | 0.0 | 88.14614258 | 24.16967483 | 12.7065787 | 0.0 | 0 | 2018_Buckton | 1898 | null | 253.38 | null | 391.8060155 | 0.0 | 102.0903949 | -11.48850716 | -5.796121245 | -28.60463244 | -39.46260996 | -34.84266082 | -20.26906415 | -8.516148 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 1 | 5 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.098266857 | null |
b32a1e18ac488d589824bf2c7c3b2bbd3828ae04455ead96072345f0bbcb3a72 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,898 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['K', 'dN', 'S', 'Y', 'F'] | 26 | 1899 | -5.41 | -5.41 | Circle | 6 | 4.12e-17 | -2.672530922 | 1.71e-16 | -2.879500941 | 4.21e-16 | -1.086949095 | 10.40529954 | -0.18972768 | 3.207556987 | 3118.332352 | 252.0 | null | -5.41 | 69.34797029 | 62.89648149 | 21.89648149 | 38.57387359 | 31.15769368 | 11.31627473 | 7.300955986 | 7.300955986 | 4.289802523 | 4.289802523 | 2.53625937 | 2.53625937 | null | null | null | null | 226.072619 | 19.18438426 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 47.09642481 | 639.3016613 | 0.782608696 | 1.326086957 | 1.934782609 | 0.419354839 | 249.0 | PEPTIDE1899{K.[dN].S.Y.F}$PEPTIDE1899,PEPTIDE1899,1:R1-5:R2$$$ | PEPTIDE1899{<a href="/monomers/K/">K</a>.<a href="/monomers/dN/">[dN]</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1899,PEPTIDE1899,1:R1-5:R2$$$ | -5.02 | 46 | 598.382 | 1899 | null | null | 1.93e+18 | 9.287648976 | 17.46292235 | 10.85245693 | 323.7028995 | null | 15.61625986 | 0.507966645 | 15.61625986 | 0.29309207 | 1.413880455 | 0.29309207 | -6.224295312 | -0.507966645 | -2.3883 | 165.4129 | 639.71 | Circle | 5 | 5 | null | 11 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 9 | 15 | 0 | 14 | 0 | 1 | 1 | 248 | compd.13 | null | 4.739009334 | 3.730096843 | 48.2061171 | 38.66265833 | 9.882894548 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 42.29693095 | 48.82737479 | 31.93646959 | 34.86404704 | 255.0 | -5.41 | null | null | null | null | null | null | null | null | null | null | 3 | NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(N)=O)NC1=O | 92.81417488 | 35.44307838 | 2.862399314 | 26.54906677 | 11.43943395 | 68.32701175 | 13.05584493 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['K', 'dN', 'S', 'Y', 'F'] | [0.1629999999999996, -1.3512999999999995, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998] | [41.13, 72.19, 49.33, 49.33, 29.1] | 37.98850072 | 0.0 | 5.749511833 | 0.0 | 91.66840134 | 41.51307291 | 0.0 | 77.74135927 | 54.38176837 | 12.7065787 | 0.0 | 0 | 2018_Buckton | 1899 | null | 255.07 | null | 348.3336981 | 0.0 | 89.92073059 | -2.90550853 | -7.611179849 | -23.84446074 | -46.6213501 | -33.00359957 | -10.01832994 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.118756993 | null |
f467b38f46a618d57cf375a2f04a0180386f2bc95d4ec18570ed50c7202b692a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,899 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dK', 'N', 'S', 'Y', 'F'] | 26 | 1900 | -5.34 | -5.34 | Circle | 3 | 4.12e-17 | -2.672530922 | 1.71e-16 | -2.879500941 | 4.21e-16 | -1.086949095 | 10.40529954 | -0.18972768 | 3.207556987 | 3118.332352 | 246.0 | null | -5.34 | 69.34797029 | 62.89648149 | 21.89648149 | 38.57387359 | 31.15769368 | 11.31627473 | 7.300955986 | 7.300955986 | 4.289802523 | 4.289802523 | 2.53625937 | 2.53625937 | null | null | null | null | 226.072619 | 19.18438426 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 47.09642481 | 639.3016613 | 0.782608696 | 1.326086957 | 1.934782609 | 0.419354839 | 242.0 | PEPTIDE1900{[dK].N.S.Y.F}$PEPTIDE1900,PEPTIDE1900,1:R1-5:R2$$$ | PEPTIDE1900{<a href="/monomers/dK/">[dK]</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1900,PEPTIDE1900,1:R1-5:R2$$$ | -5.02 | 46 | 598.382 | 1900 | null | null | 1.93e+18 | 9.287648976 | 17.46292235 | 10.85245693 | 323.7028995 | null | 15.61625986 | 0.507966645 | 15.61625986 | 0.29309207 | 1.413880455 | 0.29309207 | -6.224295312 | -0.507966645 | -2.3883 | 165.4129 | 639.71 | Circle | 5 | 5 | null | 11 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 9 | 15 | 0 | 14 | 0 | 1 | 1 | 248 | compd.14 | null | 4.739009334 | 3.730096843 | 48.2061171 | 38.66265833 | 9.882894548 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 42.29693095 | 48.82737479 | 31.93646959 | 34.86404704 | 255.0 | -5.34 | null | null | null | null | null | null | null | null | null | null | 3 | NCCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O | 92.81417488 | 35.44307838 | 2.862399314 | 26.54906677 | 11.43943395 | 68.32701175 | 13.05584493 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['dK', 'N', 'S', 'Y', 'F'] | [0.1629999999999996, -1.3512999999999995, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998] | [41.13, 72.19, 49.33, 49.33, 29.1] | 37.98850072 | 0.0 | 5.749511833 | 0.0 | 91.66840134 | 41.51307291 | 0.0 | 77.74135927 | 54.38176837 | 12.7065787 | 0.0 | 0 | 2018_Buckton | 1900 | null | 255.07 | null | 348.3336981 | 0.0 | 89.92073059 | -2.90550853 | -7.611179849 | -23.84446074 | -46.6213501 | -33.00359957 | -10.01832994 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.118756993 | null |
a6623931001a663f4f10ab73ee885fa78e2f8a595e311009853599d9a5cea629 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,900 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['K', 'N', 'S', 'Y', 'dF'] | 26 | 1901 | -5.42 | -5.42 | Circle | 4 | 4.12e-17 | -2.672530922 | 1.71e-16 | -2.879500941 | 4.21e-16 | -1.086949095 | 10.40529954 | -0.18972768 | 3.207556987 | 3118.332352 | 255.0 | null | -5.42 | 69.34797029 | 62.89648149 | 21.89648149 | 38.57387359 | 31.15769368 | 11.31627473 | 7.300955986 | 7.300955986 | 4.289802523 | 4.289802523 | 2.53625937 | 2.53625937 | null | null | null | null | 226.072619 | 19.18438426 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 47.09642481 | 639.3016613 | 0.782608696 | 1.326086957 | 1.934782609 | 0.419354839 | 249.0 | PEPTIDE1901{K.N.S.Y.[dF]}$PEPTIDE1901,PEPTIDE1901,1:R1-5:R2$$$ | PEPTIDE1901{<a href="/monomers/K/">K</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1901,PEPTIDE1901,1:R1-5:R2$$$ | -5.02 | 46 | 598.382 | 1901 | null | null | 1.93e+18 | 9.287648976 | 17.46292235 | 10.85245693 | 323.7028995 | null | 15.61625986 | 0.507966645 | 15.61625986 | 0.29309207 | 1.413880455 | 0.29309207 | -6.224295312 | -0.507966645 | -2.3883 | 165.4129 | 639.71 | Circle | 5 | 5 | null | 11 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 9 | 15 | 0 | 14 | 0 | 1 | 1 | 248 | compd.15 | null | 4.739009334 | 3.730096843 | 48.2061171 | 38.66265833 | 9.882894548 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 42.29693095 | 48.82737479 | 31.93646959 | 34.86404704 | 255.0 | -5.42 | null | null | null | null | null | null | null | null | null | null | 3 | NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O | 92.81417488 | 35.44307838 | 2.862399314 | 26.54906677 | 11.43943395 | 68.32701175 | 13.05584493 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['K', 'N', 'S', 'Y', 'dF'] | [0.1629999999999996, -1.3512999999999995, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998] | [41.13, 72.19, 49.33, 49.33, 29.1] | 37.98850072 | 0.0 | 5.749511833 | 0.0 | 91.66840134 | 41.51307291 | 0.0 | 77.74135927 | 54.38176837 | 12.7065787 | 0.0 | 0 | 2018_Buckton | 1901 | null | 255.07 | null | 348.3336981 | 0.0 | 89.92073059 | -2.90550853 | -7.611179849 | -23.84446074 | -46.6213501 | -33.00359957 | -10.01832994 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.118756993 | null |
46b0d660fedc456d595b61d8ca8253d9b5ad8dab3de6809dd3d36abf9533c472 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,901 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['K', 'N', 'S', 'dY', 'F'] | 26 | 1902 | -5.4 | -5.4 | Circle | 4 | 4.12e-17 | -2.672530922 | 1.71e-16 | -2.879500941 | 4.21e-16 | -1.086949095 | 10.40529954 | -0.18972768 | 3.207556987 | 3118.332352 | 254.0 | null | -5.4 | 69.34797029 | 62.89648149 | 21.89648149 | 38.57387359 | 31.15769368 | 11.31627473 | 7.300955986 | 7.300955986 | 4.289802523 | 4.289802523 | 2.53625937 | 2.53625937 | null | null | null | null | 226.072619 | 19.18438426 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 47.09642481 | 639.3016613 | 0.782608696 | 1.326086957 | 1.934782609 | 0.419354839 | 251.0 | PEPTIDE1902{K.N.S.[dY].F}$PEPTIDE1902,PEPTIDE1902,1:R1-5:R2$$$ | PEPTIDE1902{<a href="/monomers/K/">K</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/dY/">[dY]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1902,PEPTIDE1902,1:R1-5:R2$$$ | -5.02 | 46 | 598.382 | 1902 | null | null | 1.93e+18 | 9.287648976 | 17.46292235 | 10.85245693 | 323.7028995 | null | 15.61625986 | 0.507966645 | 15.61625986 | 0.29309207 | 1.413880455 | 0.29309207 | -6.224295312 | -0.507966645 | -2.3883 | 165.4129 | 639.71 | Circle | 5 | 5 | null | 11 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 9 | 15 | 0 | 14 | 0 | 1 | 1 | 248 | compd.16 | null | 4.739009334 | 3.730096843 | 48.2061171 | 38.66265833 | 9.882894548 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 42.29693095 | 48.82737479 | 31.93646959 | 34.86404704 | 255.0 | -5.4 | null | null | null | null | null | null | null | null | null | null | 3 | NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O | 92.81417488 | 35.44307838 | 2.862399314 | 26.54906677 | 11.43943395 | 68.32701175 | 13.05584493 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['K', 'N', 'S', 'dY', 'F'] | [0.1629999999999996, -1.3512999999999995, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998] | [41.13, 72.19, 49.33, 49.33, 29.1] | 37.98850072 | 0.0 | 5.749511833 | 0.0 | 91.66840134 | 41.51307291 | 0.0 | 77.74135927 | 54.38176837 | 12.7065787 | 0.0 | 0 | 2018_Buckton | 1902 | null | 255.07 | null | 348.3336981 | 0.0 | 89.92073059 | -2.90550853 | -7.611179849 | -23.84446074 | -46.6213501 | -33.00359957 | -10.01832994 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.118756993 | null |
e420b6f4aadbea98300bd0ecca6e09fa4c3090218e11e24e0a8821ee05bc080e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,902 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['K', 'N', 'dS', 'Y', 'F'] | 26 | 1903 | -5.58 | -5.58 | Circle | 9 | 4.12e-17 | -2.672530922 | 1.71e-16 | -2.879500941 | 4.21e-16 | -1.086949095 | 10.40529954 | -0.18972768 | 3.207556987 | 3118.332352 | 259.0 | null | -5.58 | 69.34797029 | 62.89648149 | 21.89648149 | 38.57387359 | 31.15769368 | 11.31627473 | 7.300955986 | 7.300955986 | 4.289802523 | 4.289802523 | 2.53625937 | 2.53625937 | null | null | null | null | 226.072619 | 19.18438426 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 47.09642481 | 639.3016613 | 0.782608696 | 1.326086957 | 1.934782609 | 0.419354839 | 257.0 | PEPTIDE1903{K.N.[dS].Y.F}$PEPTIDE1903,PEPTIDE1903,1:R1-5:R2$$$ | PEPTIDE1903{<a href="/monomers/K/">K</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/dS/">[dS]</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1903,PEPTIDE1903,1:R1-5:R2$$$ | -5.02 | 46 | 598.382 | 1903 | null | null | 1.93e+18 | 9.287648976 | 17.46292235 | 10.85245693 | 323.7028995 | null | 15.61625986 | 0.507966645 | 15.61625986 | 0.29309207 | 1.413880455 | 0.29309207 | -6.224295312 | -0.507966645 | -2.3883 | 165.4129 | 639.71 | Circle | 5 | 5 | null | 11 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 9 | 15 | 0 | 14 | 0 | 1 | 1 | 248 | compd.17 | null | 4.739009334 | 3.730096843 | 48.2061171 | 38.66265833 | 9.882894548 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 42.29693095 | 48.82737479 | 31.93646959 | 34.86404704 | 255.0 | -5.58 | null | null | null | null | null | null | null | null | null | null | 3 | NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O | 92.81417488 | 35.44307838 | 2.862399314 | 26.54906677 | 11.43943395 | 68.32701175 | 13.05584493 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['K', 'N', 'dS', 'Y', 'F'] | [0.1629999999999996, -1.3512999999999995, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998] | [41.13, 72.19, 49.33, 49.33, 29.1] | 37.98850072 | 0.0 | 5.749511833 | 0.0 | 91.66840134 | 41.51307291 | 0.0 | 77.74135927 | 54.38176837 | 12.7065787 | 0.0 | 0 | 2018_Buckton | 1903 | null | 255.07 | null | 348.3336981 | 0.0 | 89.92073059 | -2.90550853 | -7.611179849 | -23.84446074 | -46.6213501 | -33.00359957 | -10.01832994 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.118756993 | null |
c23c62c2bac43a772c0a5ed63e661010b0e9ad24cf52c43cfb09e1cb03c96bf0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,903 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'Ser(EtNMe2)', 'meL', 'T', 'Pr_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 101 | 1904 | -6.82 | -6.82 | Circle | 4 | -3.86e-16 | -2.757837427 | -3.41e-16 | -2.894543282 | -9.94e-17 | -1.135206275 | 1.07e-15 | -0.249287763 | 3.756957627 | 8742.851008 | 220.0 | null | -6.82 | 186.9832803 | 175.4375011 | 50.4375011 | 98.70563585 | 87.46705786 | 25.32274159 | 17.09483504 | 17.09483504 | 10.01234236 | 10.01234236 | 5.915840866 | 5.915840866 | null | null | null | null | 551.0443798 | 68.74334542 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 102.8673328 | 1471.94181 | 0.638095238 | 1.2 | 1.752380952 | 0.688311688 | 213.0 | PEPTIDE1904{[dV].[meF].[Ser(EtNMe2)].[meL].T.[Pr_Gly].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE1904,PEPTIDE1904,1:R1-11:R2$$$ | PEPTIDE1904{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(EtNMe2)/">[Ser(EtNMe2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a h... | -8.08 | 105 | 1346.923 | 1904 | null | null | 2.06e+90 | 17.62688601 | 42.30957025 | 27.33977305 | 798.9839081 | null | 18.3217096 | 0.390716754 | 18.3217096 | 0.247806844 | 2.105051857 | 0.247806844 | -8.271440229 | -0.390716754 | 2.8639 | 399.9993 | 1472.923 | Circle | 11 | 11 | null | 6 | 28 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 6 | 28 | 0 | 39 | 0 | 2 | 2 | 588 | pd50 | null | -8.662502896 | 3.706608185 | 80.33087871 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.0912161 | 114.2995054 | 196.9806931 | 83.97980728 | null | -6.82 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](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](COCCN(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 242.2964589 | 70.88615675 | 1.431199657 | 65.74834461 | 23.57583074 | 218.2909152 | 100.9920425 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'Ser(EtNMe2)', 'meL', 'T', 'Pr_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, -0.6484999999999992, 1.1616, -0.1918000000000002, 0.5271000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 41.57, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 289.4774784 | 79.75402192 | 23.57583074 | 307.932243 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 1904 | null | 329.6 | null | 1151.119335 | 0.0 | 188.3374045 | -14.02706763 | -13.86528891 | -95.30622658 | -109.55927 | -69.03423966 | -185.9146464 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 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 | 0.097915359 | null |
8111716ebc14ea459b55ce429a3dba3a46405bf4f333c31ced675f3c55b06741 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,904 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'L', 'meL', 'T', 'Bu_Gly', 'meL', 'Ser(EtNMe2)', 'meF', 'meV', 'Asp_piperidide'] | 94 | 1905 | -7.15 | -7.15 | Circle | 2 | -3.64e-16 | -2.757861181 | -3.33e-16 | -2.890847063 | -8.86e-17 | -1.135766371 | 5.68e-16 | -0.249291371 | 3.792462955 | 8869.872749 | 208.0 | null | -7.15 | 188.7761735 | 177.5292528 | 50.52925281 | 99.49852907 | 88.55880957 | 25.4144933 | 16.95952468 | 16.95952468 | 10.02404363 | 10.02404363 | 5.989234389 | 5.989234389 | null | null | null | null | 557.045184 | 81.08017242 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1469.962546 | 0.60952381 | 1.133333333 | 1.685714286 | 0.692307692 | 209.0 | PEPTIDE1905{[dL].[meF].L.[meL].T.[Bu_Gly].[meL].[Ser(EtNMe2)].[meF].[meV].[Asp_piperidide]}$PEPTIDE1905,PEPTIDE1905,1:R1-11:R2$$$ | PEPTIDE1905{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(EtNMe2)/">[Ser(EtNMe2)]</a>.<a href="/monomers/m... | -8.04 | 105 | 1342.935 | 1905 | null | null | 9.81e+91 | 17.33302805 | 43.54916868 | 27.67570645 | 803.045246 | null | 18.36303003 | 0.390716754 | 18.36303003 | 0.247807006 | 2.133908281 | 0.247807006 | -8.316523911 | -0.390716754 | 3.8751 | 402.9833 | 1470.951 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 43 | 0 | 2 | 2 | 588 | pd51 | null | -8.80297038 | 3.615726173 | 75.59401576 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 142.1679253 | 112.3836365 | 202.4637273 | 69.07825412 | null | -7.15 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCN(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 240.301113 | 70.88615675 | 1.431199657 | 65.74834461 | 29.46978843 | 224.9567469 | 94.43305721 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'meF', 'L', 'meL', 'T', 'Bu_Gly', 'meL', 'Ser(EtNMe2)', 'meF', 'meV', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.9172, 1.1616, -0.6484999999999992, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 41.57, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 277.3174424 | 75.01715897 | 29.46978843 | 322.9406427 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 1905 | null | 320.37 | null | 1168.785551 | 0.0 | 188.8539199 | -14.21346671 | -7.201621052 | -102.5674564 | -110.2909986 | -91.26361211 | -172.6023161 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 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 | 0.086069652 | null |
1cac141de96aa40ca50991dd1fbdfbad64a4af7b0b6d8522265908af14c993da | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,905 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meL', 'T', 'Pr_Gly', 'meL', 'Ser(EtNMe2)', 'meF', 'meV', 'Asp_piperidide'] | 94 | 1906 | -6.92 | -6.92 | Circle | 1 | -3.6e-16 | -2.757840701 | -3.27e-16 | -2.891762699 | -1.39e-16 | -1.13576347 | 4.94e-16 | -0.249287767 | 3.735332461 | 8621.535519 | 207.0 | null | -6.92 | 183.7761735 | 172.5292528 | 49.52925281 | 96.99852907 | 86.05880957 | 24.9144933 | 16.70952468 | 16.70952468 | 9.954945331 | 9.954945331 | 5.924299057 | 5.924299057 | null | null | null | null | 544.2993342 | 66.00182831 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 102.8673328 | 1441.931246 | 0.611650485 | 1.165048544 | 1.737864078 | 0.684210526 | 210.0 | PEPTIDE1906{[dV].[meF].L.[meL].T.[Pr_Gly].[meL].[Ser(EtNMe2)].[meF].[meV].[Asp_piperidide]}$PEPTIDE1906,PEPTIDE1906,1:R1-11:R2$$$ | PEPTIDE1906{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(EtNMe2)/">[Ser(EtNMe2)]</a>.<a href="/monomers/m... | -8.04 | 103 | 1318.913 | 1906 | null | null | 4.58e+88 | 17.1711507 | 42.04899568 | 26.25682051 | 784.6954797 | null | 18.29273869 | 0.390716754 | 18.29273869 | 0.247806844 | 2.110667325 | 0.247806844 | -8.231157865 | -0.390716754 | 3.0949 | 393.7493 | 1442.897 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 41 | 0 | 2 | 2 | 576 | pd52 | null | -8.273735206 | 3.390552224 | 75.59401576 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 135.7950004 | 106.0107116 | 196.9806931 | 69.07825412 | null | -6.92 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCN(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](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 234.8180788 | 70.88615675 | 1.431199657 | 65.74834461 | 29.46978843 | 212.2108971 | 94.43305721 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'L', 'meL', 'T', 'Pr_Gly', 'meL', 'Ser(EtNMe2)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.5271000000000001, 1.1616, -0.6484999999999992, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 41.57, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 277.3174424 | 75.01715897 | 29.46978843 | 304.7117587 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 1906 | null | 320.37 | null | 1129.216363 | 0.0 | 187.9070639 | -13.91475596 | -7.107550065 | -101.822603 | -109.0357846 | -76.36196307 | -171.88077 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 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 | 0.097894197 | null |
043107bfa74980fd19f080b16c9af99232e72f4e9d6b3ca988071124eace0b6e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,906 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'Ser(EtNMe2)', 'meL', 'T', 'Bu_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 101 | 1907 | -6.85 | -6.85 | Circle | 4 | -3.17e-16 | -2.757837653 | -3.45e-16 | -2.894646498 | -1.04e-16 | -1.13520915 | 6.56e-16 | -0.249291118 | 3.785891634 | 8867.172934 | 232.0 | null | -6.85 | 189.4832803 | 177.9375011 | 50.9375011 | 99.95563585 | 88.71705786 | 25.57274159 | 17.21983504 | 17.21983504 | 10.07484236 | 10.07484236 | 5.943791715 | 5.943791715 | null | null | null | null | 557.4173047 | 76.96789676 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 97.38429859 | 1485.95746 | 0.641509434 | 1.20754717 | 1.764150943 | 0.692307692 | 227.0 | PEPTIDE1907{[dV].[meF].[Ser(EtNMe2)].[meL].T.[Bu_Gly].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE1907,PEPTIDE1907,1:R1-11:R2$$$ | PEPTIDE1907{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(EtNMe2)/">[Ser(EtNMe2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a h... | -8.08 | 106 | 1358.934 | 1907 | null | null | 4.22e+91 | 17.70652526 | 43.05161472 | 27.61027726 | 808.1587912 | null | 18.3532039 | 0.390716754 | 18.3532039 | 0.247807006 | 2.11840853 | 0.247807006 | -8.322531871 | -0.390716754 | 3.254 | 404.6163 | 1486.95 | Circle | 11 | 11 | null | 6 | 28 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 6 | 28 | 0 | 40 | 0 | 2 | 2 | 594 | pd53 | null | -8.892018629 | 3.848207598 | 80.33087871 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.464141 | 114.2995054 | 199.7222102 | 83.97980728 | null | -6.85 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](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](COCCN(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 245.037976 | 70.88615675 | 1.431199657 | 65.74834461 | 23.57583074 | 224.6638401 | 100.9920425 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'Ser(EtNMe2)', 'meL', 'T', 'Bu_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, -0.6484999999999992, 1.1616, -0.1918000000000002, 0.9172, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 41.57, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 289.4774784 | 79.75402192 | 23.57583074 | 317.046685 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 1907 | null | 329.6 | null | 1170.932905 | 0.0 | 188.7941771 | -14.15273064 | -13.92658273 | -95.86460412 | -110.1023212 | -75.96559277 | -186.7152502 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 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 | 0.092189998 | null |
d4cc98a2848c09be7f7a92047847d23cd55f85c26a0c4c5aa0a531c63e1966ee | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,907 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'L', 'meF', 'meF', 'Ser(EtNMe2)', 'meL', 'T', 'meL', 'meL', 'Asp_piperidide'] | 94 | 1908 | -7.14 | -7.14 | Circle | 2 | -3.94e-16 | -2.758611781 | -3.41e-16 | -2.893242521 | -1.39e-16 | -1.136011055 | 5.17e-16 | -0.249287767 | 3.747073158 | 8988.829607 | 184.0 | null | -7.14 | 191.2761735 | 180.0292528 | 51.02925281 | 100.7098539 | 89.83520277 | 25.6381001 | 17.19632807 | 17.19632807 | 10.14347637 | 10.14347637 | 5.986992542 | 5.986992542 | null | null | null | null | 563.6111073 | 86.52212313 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 90.53050581 | 1483.978196 | 0.537735849 | 1.0 | 1.537735849 | 0.696202532 | 187.0 | PEPTIDE1908{[Mono6].[meL].L.[meF].[meF].[Ser(EtNMe2)].[meL].T.[meL].[meL].[Asp_piperidide]}$PEPTIDE1908,PEPTIDE1908,1:R1-11:R2$$$ | PEPTIDE1908{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(EtNMe2)/">[Ser(EtNMe2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/m... | -8.04 | 106 | 1354.946 | 1908 | null | null | 1.6700000000000002e+93 | 17.41523704 | 43.68617352 | 27.63257974 | 812.3720439 | null | 18.49464342 | 0.390716755 | 18.49464342 | 0.247762917 | 2.142331724 | 0.247762917 | -8.461341838 | -0.390716755 | 4.2173 | 407.6106 | 1484.978 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 5 | 27 | 0 | 42 | 0 | 2 | 2 | 594 | pd54 | null | -9.049895789 | 3.590848254 | 75.18411214 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 118.7565614 | 229.6420988 | 59.83987732 | null | -7.14 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COCCN(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 243.0015466 | 70.88615675 | 1.431199657 | 65.33844099 | 29.46978843 | 224.4777797 | 101.8878513 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'L', 'meF', 'meF', 'Ser(EtNMe2)', 'meL', 'T', 'meL', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.8193999999999995, 1.3581999999999996, 1.3581999999999996, -0.6484999999999992, 1.1616, -0.1918000000000002, 1.1616, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 41.57, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 289.6721462 | 75.01715897 | 29.46978843 | 326.5739512 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 1908 | null | 311.58 | null | 1187.081135 | 0.0 | 184.8069793 | -10.63125593 | -7.169823861 | -101.4908127 | -110.2546667 | -100.0825434 | -171.5090122 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 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 | 0.109364259 | null |
f82796b0b7fcd02e92f6c74ecbd0c4249f3a574b9411fda19c945205c36dd434 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,908 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'Ser(EtNMe2)', 'meF', 'meF', 'L', 'meL', 'T', 'meL', 'meL', 'Asp_piperidide'] | 94 | 1909 | -7.0 | -7 | Circle | 3 | -4.16e-16 | -2.75861275 | -3.21e-16 | -2.89034085 | -1.18e-16 | -1.136013193 | 5.71e-16 | -0.249287767 | 3.738706041 | 8988.829607 | 221.0 | null | -7.0 | 191.2761735 | 180.0292528 | 51.02925281 | 100.7098539 | 89.83520277 | 25.6381001 | 17.19632807 | 17.19632807 | 10.14347637 | 10.14347637 | 5.986992542 | 5.986992542 | null | null | null | null | 563.6111073 | 86.52212313 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 90.53050581 | 1483.978196 | 0.537735849 | 1.0 | 1.537735849 | 0.696202532 | 221.0 | PEPTIDE1909{[Mono6].[meL].[Ser(EtNMe2)].[meF].[meF].L.[meL].T.[meL].[meL].[Asp_piperidide]}$PEPTIDE1909,PEPTIDE1909,1:R1-11:R2$$$ | PEPTIDE1909{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(EtNMe2)/">[Ser(EtNMe2)]</a>.<a href="/monomers/meF/">[meF]</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/m... | -8.04 | 106 | 1354.946 | 1909 | null | null | 7.099999999999999e+92 | 17.41523704 | 43.68617352 | 27.63257974 | 812.3720439 | null | 18.49865635 | 0.390716755 | 18.49865635 | 0.247762917 | 2.09191407 | 0.247762917 | -8.446521121 | -0.390716755 | 4.2173 | 407.6106 | 1484.978 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 5 | 27 | 0 | 42 | 0 | 2 | 2 | 594 | pd55 | null | -9.001473005 | 3.618475404 | 75.18411214 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 118.7565614 | 229.6420988 | 59.83987732 | null | -7.0 | 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](Cc2ccccc2)N(C)C(=O)[C@H](COCCN(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 | 243.0015466 | 70.88615675 | 1.431199657 | 65.33844099 | 29.46978843 | 224.4777797 | 101.8878513 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'Ser(EtNMe2)', 'meF', 'meF', 'L', 'meL', 'T', 'meL', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, -0.6484999999999992, 1.3581999999999996, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, 1.1616, 1.1616, 0.1758999999999995] | [20.31, 20.31, 41.57, 20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 289.6721462 | 75.01715897 | 29.46978843 | 326.5739512 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 1909 | null | 311.58 | null | 1186.981581 | 0.0 | 184.8415404 | -10.62575842 | -7.169823861 | -101.585434 | -110.2217448 | -100.2397546 | -171.2306053 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 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 | 0.109364259 | null |
c92d61ffc7c8f60a017bdb4b5e2fc839c06ce13f92064befb68dbb18e26b4e5c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,909 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Ser(EtNMe2)', 'meL', 'meF', 'L', 'meF', 'meL', 'T', 'Bu_Gly', 'meV', 'Asp_piperidide'] | 95 | 1910 | -6.92 | -6.92 | Circle | 3 | -3.62e-16 | -2.757821732 | -3.21e-16 | -2.887380341 | -1e-16 | -1.135209338 | 9.6e-16 | -0.249291272 | 3.735738817 | 8633.535519 | 240.0 | null | -6.92 | 183.7761735 | 172.5292528 | 49.52925281 | 96.95985393 | 86.08520277 | 24.8881001 | 16.68313147 | 16.68313147 | 9.993990576 | 9.993990576 | 5.865188094 | 5.865188094 | null | null | null | null | 544.4923326 | 70.07302045 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 98.75505715 | 1441.931246 | 0.631067961 | 1.194174757 | 1.776699029 | 0.684210526 | 236.0 | PEPTIDE1910{[meA].[Ser(EtNMe2)].[meL].[meF].L.[meF].[meL].T.[Bu_Gly].[meV].[Asp_piperidide]}$PEPTIDE1910,PEPTIDE1910,1:R1-11:R2$$$ | PEPTIDE1910{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Ser(EtNMe2)/">[Ser(EtNMe2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gl... | -8.04 | 103 | 1318.913 | 1910 | null | null | 6.570000000000001e+88 | 17.1711507 | 42.04899568 | 25.95753171 | 784.8473946 | null | 18.36578104 | 0.390716754 | 18.36578104 | 0.247807006 | 2.088328012 | 0.247807006 | -8.36445654 | -0.390716754 | 3.1911 | 393.8296 | 1442.897 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 5 | 27 | 0 | 41 | 0 | 2 | 2 | 576 | pd56 | null | -7.986526899 | 3.582944609 | 75.18411214 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.464141 | 106.9686461 | 205.3272786 | 69.07825412 | null | -6.92 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](COCCN(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 234.7769953 | 70.88615675 | 1.431199657 | 65.33844099 | 23.57583074 | 211.7319299 | 101.4088841 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'Ser(EtNMe2)', 'meL', 'meF', 'L', 'meF', 'meL', 'T', 'Bu_Gly', 'meV', 'Asp_piperidide'] | [0.1353999999999999, -0.6484999999999992, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, 0.9172, 0.7715000000000001, 0.1758999999999995] | [20.31, 41.57, 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 | 289.193179 | 75.01715897 | 23.57583074 | 305.60355 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 1910 | null | 311.58 | null | 1129.110411 | 0.0 | 184.3713449 | -10.34702598 | -7.204491605 | -94.47166112 | -109.2322825 | -83.05605456 | -172.1702403 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 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 | 0.112172608 | null |
6b4ffeceda3a0066ccc898b74703d361b3185f1137efa4abeb28230c6aa7e187 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,910 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'Ser(EtNMe2)', 'meF', 'meL', 'T', 'Pr_Gly', 'meV', 'Asp_piperidide'] | 95 | 1911 | -6.92 | -6.92 | Circle | 9 | -3.25e-16 | -2.757857177 | -2.78e-16 | -2.888650494 | -8.78e-17 | -1.13577806 | 1.04e-15 | -0.249287767 | 3.716170042 | 8509.66946 | 202.0 | null | -6.92 | 181.2761735 | 170.0292528 | 49.02925281 | 95.70985393 | 84.83520277 | 24.6381001 | 16.55813147 | 16.55813147 | 9.931490576 | 9.931490576 | 5.837237245 | 5.837237245 | null | null | null | null | 538.1194077 | 70.07302045 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 96.01354003 | 1427.915596 | 0.62745098 | 1.18627451 | 1.764705882 | 0.68 | 206.0 | PEPTIDE1911{[meA].L.[meL].[meF].[Ser(EtNMe2)].[meF].[meL].T.[Pr_Gly].[meV].[Asp_piperidide]}$PEPTIDE1911,PEPTIDE1911,1:R1-11:R2$$$ | PEPTIDE1911{<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(EtNMe2)/">[Ser(EtNMe2)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Pr_Gl... | -8.04 | 102 | 1306.902 | 1911 | null | null | 2.3600000000000001e+86 | 17.09155747 | 41.30357743 | 25.14207213 | 775.6725115 | null | 18.3494588 | 0.390716754 | 18.3494588 | 0.247806844 | 2.100526144 | 0.247806844 | -8.349939701 | -0.390716754 | 2.801 | 389.2126 | 1428.87 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 5 | 27 | 0 | 40 | 0 | 2 | 2 | 570 | pd57 | null | -7.799191347 | 3.488237901 | 75.18411214 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.0912161 | 106.9686461 | 202.5857614 | 69.07825412 | null | -6.92 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COCCN(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 232.0354782 | 70.88615675 | 1.431199657 | 65.33844099 | 23.57583074 | 205.359005 | 101.4088841 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'Ser(EtNMe2)', 'meF', 'meL', 'T', 'Pr_Gly', 'meV', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, -0.6484999999999992, 1.3581999999999996, 1.1616, -0.1918000000000002, 0.5271000000000001, 0.7715000000000001, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 41.57, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 289.193179 | 75.01715897 | 23.57583074 | 296.489108 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 1911 | null | 311.58 | null | 1109.563932 | 0.0 | 183.8797925 | -10.23236834 | -7.189306367 | -93.80306216 | -108.7938187 | -76.06968782 | -171.6054815 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 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 | 0.119132997 | null |
dc35dd4e4a05b2c1e2875e9b6cd78106c6114f0b2691ebd50c5f5e64406b84fa | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,911 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Bu_Gly', 'meF', 'Ser(EtNMe2)', 'meL', 'T', 'Sar', 'meF', 'Me_Abu', 'Ser(isoamyl)', 'meL', 'Asp_piperidide'] | 109 | 1912 | -7.68 | -7.68 | Circle | 3 | -3.61e-16 | -2.758261674 | -2.78e-16 | -2.887834789 | -8.3e-17 | -1.146375757 | 7.43e-16 | -0.24929182 | 3.67192809 | 8677.297018 | 246.0 | null | -7.68 | 184.4832803 | 172.9375011 | 49.9375011 | 97.41696071 | 86.24345106 | 25.04634839 | 16.50251429 | 16.50251429 | 9.788218735 | 9.788218735 | 5.666203032 | 5.666203032 | null | null | null | null | 544.8644533 | 68.7022619 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 100.1258157 | 1457.92616 | 0.615384615 | 1.153846154 | 1.692307692 | 0.684210526 | 236.0 | PEPTIDE1912{[Bu_Gly].[meF].[Ser(EtNMe2)].[meL].T.[Sar].[meF].[Me_Abu].[Ser(isoamyl)].[meL].[Asp_piperidide]}$PEPTIDE1912,PEPTIDE1912,1:R1-11:R2$$$ | PEPTIDE1912{<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(EtNMe2)/">[Ser(EtNMe2)]</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/Me_Abu/">[Me_Abu]</a>.<a hre... | -8.08 | 104 | 1334.912 | 1912 | null | null | 2.05e+89 | 17.54816631 | 44.01689467 | 27.43618238 | 789.9609398 | null | 17.96618672 | 0.390716756 | 17.96618672 | 0.247548563 | 2.073641725 | 0.247548563 | -8.355633895 | -0.390716756 | 2.5732 | 395.5066 | 1458.896 | Circle | 11 | 11 | null | 5 | 28 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 5 | 28 | 0 | 42 | 0 | 2 | 2 | 582 | pd58 | null | -8.172858653 | 3.667148834 | 79.92097509 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 121.6122489 | 100.5957212 | 205.032471 | 88.98789182 | null | -7.68 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COCCN(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC)C(=O)N[C@@H](COCCC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC1=O | 239.5138582 | 70.88615675 | 1.431199657 | 65.33844099 | 17.68187306 | 198.3831781 | 121.0237143 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Bu_Gly', 'meF', 'Ser(EtNMe2)', 'meL', 'T', 'Sar', 'meF', 'Me_Abu', 'Ser(isoamyl)', 'meL', 'Asp_piperidide'] | [0.9172, 1.3581999999999996, -0.6484999999999992, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 0.5255000000000001, 0.8359999999999994, 1.1616, 0.1758999999999995] | [20.31, 20.31, 41.57, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 302.7901167 | 79.75402192 | 17.68187306 | 298.2726907 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 1912 | null | 320.81 | null | 1125.032067 | 0.0 | 183.4287134 | -10.32009127 | -6.897304303 | -85.12434419 | -99.33499967 | -88.74458468 | -177.5394566 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 7 | 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 | 0.094357992 | null |
d37327499bd243466ca270ee71f42cc008569859a3e196e0d4733c0eef8c7057 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,912 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'Me_Phe(3-Cl)', 'Gln(Mes)', 'meL', 'T', 'Bu_Gly', 'meL', 'L', 'meF', 'meV', 'Asp_piperidide'] | 100 | 1913 | -8.06 | -8.06 | Circle | 9 | -2.5e-16 | -2.757893058 | -2.07e-16 | -2.888402076 | -4.45e-17 | -1.135686406 | 1.48e-15 | -0.24929137 | 3.790307207 | 9054.752969 | 286.0 | null | -8.06 | 187.146417 | 173.6319622 | 53.20438768 | 98.74078102 | 86.51369933 | 27.74019726 | 17.5166131 | 19.02728443 | 10.25327608 | 10.8484393 | 6.17736643 | 6.583051661 | null | < -8.06 | null | null | 557.1343693 | 84.01493518 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 103.5432878 | 1551.854174 | 0.648148148 | 1.203703704 | 1.796296296 | 0.675324675 | 282.0 | PEPTIDE1913{[dL].[Me_Phe(3-Cl)].[Gln(Mes)].[meL].T.[Bu_Gly].[meL].L.[meF].[meV].[Asp_piperidide]}$PEPTIDE1913,PEPTIDE1913,1:R1-11:R2$$$ | PEPTIDE1913{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/Gln(Mes)/">[Gln(Mes)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href=... | -8.25 | 108 | 1430.442 | 1913 | null | null | 5.78e+89 | 19.25695928 | 43.22307469 | 28.31919574 | 815.6155555 | null | 18.30527805 | 0.390716754 | 18.30527805 | 0.247807006 | 2.31582118 | 0.247807006 | -8.370379951 | -0.390716754 | 3.8063 | 410.8408 | 1553.418 | Circle | 11 | 11 | null | 7 | 29 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 7 | 31 | 0 | 41 | 0 | 2 | 2 | 604 | pd59 | null | -10.38375939 | 3.685725445 | 65.95724307 | 60.17892468 | 8.47105247 | 88.24782729 | 0.0 | 0.0 | 67.04410301 | 8.417796984 | 0.0 | 0.0 | 135.641609 | 116.8897451 | 205.9916673 | 55.29041495 | null | -8.06 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](CCC(=O)NS(C)(=O)=O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 241.963875 | 98.41756753 | 1.431199657 | 65.5635545 | 29.46978843 | 237.7025967 | 67.05049734 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['dL', 'Me_Phe(3-Cl)', 'Gln(Mes)', 'meL', 'T', 'Bu_Gly', 'meL', 'L', 'meF', 'meV', 'Asp_piperidide'] | [0.8193999999999995, 2.0116, -1.3706999999999994, 1.1616, -0.1918000000000002, 0.9172, 1.1616, 0.8193999999999995, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 92.34, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 31.26418638 | 0.0 | 0.0 | 11.60093989 | 259.3599495 | 85.09812435 | 29.46978843 | 327.4619412 | 54.38176837 | 13.49368578 | 0.0 | 0 | 2018_CHUGAI | 1913 | null | 371.14 | null | 1144.59779 | 6.101243908 | 205.8901351 | -16.88563103 | -7.175506315 | -107.497789 | -107.5769032 | -112.0212478 | -141.3240664 | -7.913580537 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.088120737 | null |
172f298f717db06d7a604d72a2dab0fb0bf3df5160046dbea829ea2499d712a0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,913 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'Me_Phe(3-Cl)', 'L', 'meL', 'T', 'Bu_Gly', 'meL', 'Gln(Mes)', 'Me_Phe(3-Cl)', 'meV', 'Asp_piperidide'] | 109 | 1914 | -8.0 | -8 | Circle | 9 | -2.35e-16 | -2.757865983 | -1.96e-16 | -2.888770378 | 7.25e-17 | -1.135766366 | 1.65e-15 | -0.24929137 | 3.791020127 | 9061.120473 | 279.0 | null | -8.0 | 187.146417 | 173.0099266 | 54.3382811 | 98.74078102 | 86.20268156 | 28.30714397 | 17.70559533 | 19.59423114 | 10.34776719 | 11.13191265 | 6.248234769 | 6.795656677 | null | null | null | null | 556.1145839 | 85.38569374 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 112.4027106 | 1585.815201 | 0.642201835 | 1.165137615 | 1.71559633 | 0.675324675 | 255.0 | PEPTIDE1914{[dL].[Me_Phe(3-Cl)].L.[meL].T.[Bu_Gly].[meL].[Gln(Mes)].[Me_Phe(3-Cl)].[meV].[Asp_piperidide]}$PEPTIDE1914,PEPTIDE1914,1:R1-11:R2$$$ | PEPTIDE1914{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Gln(Mes)/">[Gln(Mes)]</a>.<a href=... | -7.96 | 109 | 1465.895 | 1914 | null | null | 6.04e+90 | 19.96738838 | 43.58939442 | 29.01660746 | 824.5138512 | null | 18.32826688 | 0.390716754 | 18.32826688 | 0.247807006 | 2.286328845 | 0.247807006 | -8.370747119 | -0.390716754 | 4.4597 | 415.8508 | 1587.863 | Circle | 11 | 11 | null | 7 | 29 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 7 | 32 | 0 | 41 | 0 | 2 | 2 | 610 | pd60 | null | -11.55931225 | 4.305593592 | 65.95724307 | 60.17892468 | 8.47105247 | 88.24782729 | 0.0 | 0.0 | 67.04410301 | 8.417796984 | 0.0 | 0.0 | 129.1152928 | 128.9745825 | 211.0143006 | 53.91965639 | null | -8.0 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)NS(C)(=O)=O)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 240.5931164 | 110.0185074 | 1.431199657 | 65.5635545 | 29.46978843 | 237.7025967 | 67.05049734 | 69.51151927 | 0 | 0.0 | null | null | null | null | ['dL', 'Me_Phe(3-Cl)', 'L', 'meL', 'T', 'Bu_Gly', 'meL', 'Gln(Mes)', 'Me_Phe(3-Cl)', 'meV', 'Asp_piperidide'] | [0.8193999999999995, 2.0116, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.9172, 1.1616, -1.3706999999999994, 2.0116, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 92.34, 20.31, 20.31, 49.41] | 31.26418638 | 0.0 | 0.0 | 23.20187978 | 259.3599495 | 85.09812435 | 29.46978843 | 326.0911826 | 48.33934966 | 18.5163191 | 0.0 | 0 | 2018_CHUGAI | 1914 | null | 371.14 | null | 1136.5073 | 12.22729864 | 205.9873964 | -19.33949267 | -7.117935138 | -107.3935627 | -104.4522001 | -111.9370961 | -141.2508963 | -7.925256933 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.085545815 | null |
ed7a6c6963931829c990443257e0541bb00239d84b9f425ccd016fe0f89e2d68 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,914 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'Me_Phe(3-Cl)', 'L', 'Me_Abu', 'T', 'Bu_Gly', 'meL', 'Gln(Mes)', 'Me_Phe(3-Cl)', 'meV', 'Asp_piperidide'] | 112 | 1915 | -7.03 | -7.03 | Circle | 8 | -2.11e-16 | -2.757862788 | -1.7e-16 | -2.887054089 | 7.93e-17 | -1.135090365 | 2.1e-15 | -0.249291273 | 3.724602953 | 8829.496066 | 256.0 | null | -7.03 | 182.146417 | 168.0099266 | 53.3382811 | 96.24078102 | 83.70268156 | 27.80714397 | 17.33059533 | 19.21923114 | 10.22276719 | 11.00691265 | 6.12983307 | 6.677254978 | null | < -7.03 | null | null | 543.3687341 | 79.90265952 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 112.4027106 | 1557.783901 | 0.663551402 | 1.224299065 | 1.794392523 | 0.666666667 | 238.0 | PEPTIDE1915{[dL].[Me_Phe(3-Cl)].L.[Me_Abu].T.[Bu_Gly].[meL].[Gln(Mes)].[Me_Phe(3-Cl)].[meV].[Asp_piperidide]}$PEPTIDE1915,PEPTIDE1915,1:R1-11:R2$$$ | PEPTIDE1915{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Gln(Mes)/">[Gln(Mes)]</a>.<a... | -7.96 | 107 | 1441.873 | 1915 | null | null | 3.25e+87 | 19.84131149 | 42.70059142 | 27.8977769 | 806.164085 | null | 18.28646669 | 0.390716754 | 18.28646669 | 0.247807006 | 2.241537178 | 0.247807006 | -8.322189323 | -0.390716754 | 3.8236 | 406.6868 | 1559.809 | Circle | 11 | 11 | null | 7 | 29 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 7 | 32 | 0 | 39 | 0 | 2 | 2 | 598 | pd61 | null | -10.89060548 | 4.293040335 | 65.95724307 | 60.17892468 | 8.47105247 | 88.24782729 | 0.0 | 0.0 | 67.04410301 | 8.417796984 | 0.0 | 0.0 | 122.2634007 | 123.0806248 | 205.5312664 | 53.91965639 | null | -7.03 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)NS(C)(=O)=O)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C1=O | 235.1100822 | 110.0185074 | 1.431199657 | 65.5635545 | 23.57583074 | 230.8507046 | 67.05049734 | 69.51151927 | 0 | 0.0 | null | null | null | null | ['dL', 'Me_Phe(3-Cl)', 'L', 'Me_Abu', 'T', 'Bu_Gly', 'meL', 'Gln(Mes)', 'Me_Phe(3-Cl)', 'meV', 'Asp_piperidide'] | [0.8193999999999995, 2.0116, 0.8193999999999995, 0.5255000000000001, -0.1918000000000002, 0.9172, 1.1616, -1.3706999999999994, 2.0116, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 92.34, 20.31, 20.31, 49.41] | 31.26418638 | 0.0 | 0.0 | 23.20187978 | 259.3599495 | 85.09812435 | 23.57583074 | 313.7562563 | 48.33934966 | 18.5163191 | 0.0 | 0 | 2018_CHUGAI | 1915 | null | 371.14 | null | 1095.522351 | 12.21031114 | 204.6622013 | -18.90144162 | -7.027359765 | -98.99460023 | -102.9174814 | -110.3734078 | -133.483373 | -7.891643901 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.093382775 | null |
bb369408ece56ba70125f3deb14ce92666bf82ad6141217b9060f6c6db829536 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,915 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'Gln(Mes)', 'meL', 'meF', 'L', 'meF', 'meL', 'T', 'Bu_Gly', 'meV', 'Asp_piperidide'] | 92 | 1916 | -6.89 | -6.89 | Circle | 2 | -2.79e-16 | -2.75838937 | -2.46e-16 | -2.886807728 | -1e-16 | -1.135220762 | 1.17e-15 | -0.24929137 | 3.845513896 | 9165.674151 | 276.0 | null | -6.89 | 189.646417 | 176.7539977 | 52.57049426 | 99.95210589 | 88.10111029 | 27.39685735 | 17.55123766 | 18.68394452 | 10.3721336 | 10.77831459 | 6.210221564 | 6.474170118 | null | < -6.89 | null | null | 564.720078 | 88.08612733 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 91.94234789 | 1531.908796 | 0.601851852 | 1.111111111 | 1.666666667 | 0.679487179 | 279.0 | PEPTIDE1916{[meL].[Gln(Mes)].[meL].[meF].L.[meF].[meL].T.[Bu_Gly].[meV].[Asp_piperidide]}$PEPTIDE1916,PEPTIDE1916,1:R1-11:R2$$$ | PEPTIDE1916{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Gln(Mes)/">[Gln(Mes)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[B... | -8.54 | 108 | 1407.0 | 1916 | null | null | 7.149999999999999e+90 | 18.63622942 | 43.00947946 | 27.53969392 | 816.0440577 | null | 18.48312168 | 0.390716754 | 18.48312168 | 0.247807006 | 2.432450424 | 0.247807006 | -8.587404294 | -0.390716754 | 3.4951 | 410.4581 | 1533.0 | Circle | 11 | 11 | null | 6 | 29 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 6 | 30 | 0 | 42 | 0 | 2 | 2 | 604 | pd62 | null | -9.556234781 | 3.252088241 | 65.54733945 | 60.17892468 | 7.059210392 | 88.24782729 | 0.0 | 0.0 | 67.04410301 | 8.417796984 | 0.0 | 0.0 | 142.1679253 | 104.8049076 | 212.0571366 | 56.66117351 | null | -6.89 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)NS(C)(=O)=O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 246.0350671 | 86.81662763 | 1.431199657 | 65.15365087 | 29.46978843 | 237.7025967 | 74.02632424 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meL', 'Gln(Mes)', 'meL', 'meF', 'L', 'meF', 'meL', 'T', 'Bu_Gly', 'meV', 'Asp_piperidide'] | [1.1616, -1.3706999999999994, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, 0.9172, 0.7715000000000001, 0.1758999999999995] | [20.31, 92.34, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 25.95437303 | 0.0 | 0.0 | 0.0 | 271.2356861 | 85.09812435 | 29.46978843 | 332.9449754 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 1916 | null | 362.35 | null | 1174.932157 | 0.0 | 203.3887194 | -10.97604286 | -7.332907396 | -108.8252128 | -112.0370272 | -113.2635158 | -149.5611865 | -7.991650568 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.098241794 | null |
3d302afa2b0632cafd72c1fcc87f3eb014d13327059bb9c3f560aee600e1e75d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,916 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Abu', 'Gln(Mes)', 'meL', 'Me_Phe(3-Cl)', 'L', 'meF', 'meL', 'T', 'Bu_Gly', 'meV', 'Asp_piperidide'] | 104 | 1917 | -7.0 | -7 | Circle | 7 | -2.51e-16 | -2.757980806 | -2.55e-16 | -2.886457948 | 2.5e-17 | -1.135210677 | 1.8e-15 | -0.249291273 | 3.775359857 | 8942.11242 | 273.0 | null | -7.0 | 184.646417 | 171.1319622 | 52.70438768 | 97.45210589 | 85.29009253 | 27.46380406 | 17.36521989 | 18.87589123 | 10.34162472 | 10.93678794 | 6.162688203 | 6.568373435 | null | < -7 | null | null | 550.9544428 | 83.97385166 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 100.8017707 | 1537.838523 | 0.654205607 | 1.242990654 | 1.869158879 | 0.671052632 | 276.0 | PEPTIDE1917{[Me_Abu].[Gln(Mes)].[meL].[Me_Phe(3-Cl)].L.[meF].[meL].T.[Bu_Gly].[meV].[Asp_piperidide]}$PEPTIDE1917,PEPTIDE1917,1:R1-11:R2$$$ | PEPTIDE1917{<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/Gln(Mes)/">[Gln(Mes)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a hre... | -8.25 | 107 | 1418.431 | 1917 | null | null | 1.8299999999999998e+89 | 19.18860396 | 42.48762875 | 27.12973129 | 806.5925872 | null | 18.37125697 | 0.390716754 | 18.37125697 | 0.247807006 | 2.323215452 | 0.247807006 | -8.465479944 | -0.390716754 | 3.5124 | 406.3041 | 1539.391 | Circle | 11 | 11 | null | 6 | 29 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 6 | 31 | 0 | 40 | 0 | 2 | 2 | 598 | pd63 | null | -9.883359407 | 3.820798066 | 65.54733945 | 60.17892468 | 7.059210392 | 88.24782729 | 0.0 | 0.0 | 67.04410301 | 8.417796984 | 0.0 | 0.0 | 128.7897169 | 110.9957874 | 211.5967356 | 55.29041495 | null | -7.0 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](CC)C(=O)N[C@@H](CCC(=O)NS(C)(=O)=O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 239.1812744 | 98.41756753 | 1.431199657 | 65.15365087 | 23.57583074 | 230.8507046 | 74.02632424 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['Me_Abu', 'Gln(Mes)', 'meL', 'Me_Phe(3-Cl)', 'L', 'meF', 'meL', 'T', 'Bu_Gly', 'meV', 'Asp_piperidide'] | [0.5255000000000001, -1.3706999999999994, 1.1616, 2.0116, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, 0.9172, 0.7715000000000001, 0.1758999999999995] | [20.31, 92.34, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 25.95437303 | 0.0 | 0.0 | 11.60093989 | 271.2356861 | 85.09812435 | 23.57583074 | 319.2392905 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 1917 | null | 362.35 | null | 1125.707888 | 6.130783213 | 202.0816017 | -13.17586396 | -7.203709515 | -100.1727815 | -107.3819016 | -111.4213623 | -141.724522 | -7.895687747 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.104129577 | null |
4f4f9b3daa3aa75d8084cb74f9819c4f6e5138f7f1dc6dc36eb2605300b2eb60 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,917 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'L', 'Me_Abu', 'meF', 'Gln(Mes)', 'Me_Phe(3-Cl)', 'meL', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide'] | 104 | 1918 | -6.82 | -6.82 | Circle | 2 | -2.49e-16 | -2.758625315 | -1.88e-16 | -2.884868598 | 7.07e-18 | -1.135696842 | 1.38e-15 | -0.249291367 | 3.798696469 | 9066.752969 | 245.0 | null | -6.82 | 187.146417 | 173.6319622 | 53.20438768 | 98.70210589 | 86.54009253 | 27.71380406 | 17.49021989 | 19.00089123 | 10.34822302 | 10.94338624 | 6.171721836 | 6.577407067 | null | null | null | null | 557.3273677 | 85.34461022 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 102.1725292 | 1551.854174 | 0.62962963 | 1.157407407 | 1.75 | 0.675324675 | 257.0 | PEPTIDE1918{[meL].L.[Me_Abu].[meF].[Gln(Mes)].[Me_Phe(3-Cl)].[meL].T.[Bu_Gly].[meL].[Asp_piperidide]}$PEPTIDE1918,PEPTIDE1918,1:R1-11:R2$$$ | PEPTIDE1918{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Gln(Mes)/">[Gln(Mes)]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a hre... | -8.25 | 108 | 1430.442 | 1918 | null | null | 7.37e+90 | 19.25695928 | 43.22307469 | 27.69936891 | 815.7674703 | null | 18.38032245 | 0.390716754 | 18.38032245 | 0.247807006 | 2.335854677 | 0.247807006 | -8.334328834 | -0.390716754 | 3.9025 | 410.9211 | 1553.418 | Circle | 11 | 11 | null | 6 | 29 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 6 | 31 | 0 | 41 | 0 | 2 | 2 | 604 | pd64 | null | -10.16336582 | 3.889051414 | 65.54733945 | 60.17892468 | 7.059210392 | 88.24782729 | 0.0 | 0.0 | 67.04410301 | 8.417796984 | 0.0 | 0.0 | 128.7897169 | 117.3687123 | 214.3382528 | 55.29041495 | null | -6.82 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)NS(C)(=O)=O)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 241.9227915 | 98.41756753 | 1.431199657 | 65.15365087 | 23.57583074 | 237.2236295 | 74.02632424 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['meL', 'L', 'Me_Abu', 'meF', 'Gln(Mes)', 'Me_Phe(3-Cl)', 'meL', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide'] | [1.1616, 0.8193999999999995, 0.5255000000000001, 1.3581999999999996, -1.3706999999999994, 2.0116, 1.1616, -0.1918000000000002, 0.9172, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 92.34, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 25.95437303 | 0.0 | 0.0 | 11.60093989 | 271.2356861 | 85.09812435 | 23.57583074 | 328.3537325 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 1918 | null | 362.35 | null | 1144.982359 | 6.128354816 | 202.7781137 | -13.36221726 | -7.199315728 | -100.1825547 | -107.7397214 | -119.6417814 | -141.6565637 | -7.912228901 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.097331725 | null |
e6f113359dbaad3d55d55a01b5664698380103f899af608580734562ae5c645e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,918 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Bu_Gly', 'meF', 'Gln(Mes)', 'meL', 'T', 'Bu_Gly', 'meF', 'meL', 'L', 'meL', 'Asp_piperidide'] | 95 | 1919 | -7.22 | -7.22 | Circle | 7 | -2.9e-16 | -2.758560085 | -2.41e-16 | -2.884929355 | -3e-17 | -1.135988919 | 9.42e-16 | -0.249291709 | 3.813825697 | 9184.693701 | 267.0 | null | -7.22 | 189.646417 | 176.7539977 | 52.57049426 | 99.95210589 | 88.10111029 | 27.39685735 | 17.30123766 | 18.43394452 | 10.14679917 | 10.55298015 | 6.047387129 | 6.311335683 | null | null | null | null | 564.720078 | 100.4229543 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 79.60552088 | 1531.908796 | 0.583333333 | 1.046296296 | 1.555555556 | 0.679487179 | 253.0 | PEPTIDE1919{[Bu_Gly].[meF].[Gln(Mes)].[meL].T.[Bu_Gly].[meF].[meL].L.[meL].[Asp_piperidide]}$PEPTIDE1919,PEPTIDE1919,1:R1-11:R2$$$ | PEPTIDE1919{<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Gln(Mes)/">[Gln(Mes)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/mo... | -8.54 | 108 | 1407.0 | 1919 | null | null | 6.82e+91 | 18.63622942 | 44.20032667 | 28.79519128 | 816.0440577 | null | 18.27177427 | 0.390716754 | 18.27177427 | 0.247807006 | 2.402950645 | 0.247807006 | -8.469930506 | -0.390716754 | 3.6408 | 410.5501 | 1533.0 | Circle | 11 | 11 | null | 6 | 29 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 6 | 30 | 0 | 42 | 0 | 2 | 2 | 604 | pd65 | null | -9.307259533 | 3.593531535 | 65.54733945 | 54.16103222 | 7.059210392 | 88.24782729 | 0.0 | 0.0 | 67.04410301 | 8.417796984 | 0.0 | 0.0 | 141.6889581 | 105.2838749 | 210.2074108 | 64.52879175 | null | -7.22 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)NS(C)(=O)=O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(CCCC)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC1=O | 246.0350671 | 86.81662763 | 1.431199657 | 65.15365087 | 23.57583074 | 237.578662 | 80.04421671 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Bu_Gly', 'meF', 'Gln(Mes)', 'meL', 'T', 'Bu_Gly', 'meF', 'meL', 'L', 'meL', 'Asp_piperidide'] | [0.9172, 1.3581999999999996, -1.3706999999999994, 1.1616, -0.1918000000000002, 0.9172, 1.3581999999999996, 1.1616, 0.8193999999999995, 1.1616, 0.1758999999999995] | [20.31, 20.31, 92.34, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41] | 25.95437303 | 0.0 | 0.0 | 0.0 | 271.2356861 | 85.09812435 | 23.57583074 | 338.8389331 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 1919 | null | 362.35 | null | 1171.31831 | 0.0 | 202.6710588 | -10.98569522 | -7.192198543 | -100.7540637 | -102.8826398 | -126.0833419 | -149.8452263 | -7.912869669 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.087362361 | null |
c2d48fd2668b7275c23658f3f0dbd2d19d16cef687f9d8ef77847e2543602d78 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,920 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'Gln(Mes)', 'meL', 'L', 'Bu_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 98 | 1921 | -7.22 | -7.22 | Circle | 9 | -2.8e-16 | -2.757839583 | -2.94e-16 | -2.888583233 | -1.79e-17 | -1.135720312 | 1.19e-15 | -0.249291289 | 3.842686516 | 9247.126964 | 269.0 | null | -7.22 | 192.146417 | 179.2539977 | 53.07049426 | 101.1372276 | 89.37059294 | 27.6273747 | 17.75881708 | 18.89152394 | 10.2379091 | 10.64409009 | 6.112980238 | 6.376928792 | null | null | null | null | 571.5650321 | 85.38569374 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 97.36494101 | 1545.924446 | 0.623853211 | 1.155963303 | 1.71559633 | 0.683544304 | 269.0 | PEPTIDE1921{[dV].[meF].[Gln(Mes)].[meL].L.[Bu_Gly].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE1921,PEPTIDE1921,1:R1-11:R2$$$ | PEPTIDE1921{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Gln(Mes)/">[Gln(Mes)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/... | -8.54 | 109 | 1419.011 | 1921 | null | null | 9.370000000000002e+93 | 18.71108486 | 43.16364996 | 29.33363895 | 825.2996672 | null | 18.37946977 | 0.373172999 | 18.37946977 | 0.247492366 | 2.422892154 | 0.247492366 | -8.531962838 | -0.373172999 | 4.1971 | 415.238 | 1547.027 | Circle | 11 | 11 | null | 6 | 29 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 6 | 30 | 0 | 39 | 0 | 2 | 2 | 610 | pd67 | null | -9.370777421 | 2.774334474 | 65.58529784 | 60.17892468 | 8.47105247 | 86.81662763 | 0.0 | 0.0 | 67.04410301 | 8.417796984 | 0.0 | 0.0 | 142.1679253 | 112.135767 | 206.4520682 | 64.11195009 | null | -7.22 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](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](CCC(=O)NS(C)(=O)=O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C1=O | 249.8164811 | 86.81662763 | 0.0 | 65.5635545 | 29.46978843 | 244.5544889 | 73.60948258 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'Gln(Mes)', 'meL', 'L', 'Bu_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, -1.3706999999999994, 1.1616, 0.8193999999999995, 0.9172, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 92.34, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.26418638 | 0.0 | 0.0 | 0.0 | 258.8999597 | 89.8349873 | 29.46978843 | 343.0173518 | 60.42418708 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 1921 | null | 360.14 | null | 1195.569626 | 0.0 | 206.6907497 | -18.26442821 | -14.066132 | -109.2041113 | -111.7376133 | -98.05387295 | -163.3946026 | -7.956281779 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.096201175 | null |
6db3efb3feb3468ebf83a02ed5d400cfbc85acf2f4b4a86195c8f703bbc8f864 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,921 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'L', 'meF', 'meF', 'Gln(Mes)', 'meL', 'L', 'meL', 'meL', 'Asp_piperidide'] | 91 | 1922 | -7.0 | -7 | Circle | 5 | -3.3e-16 | -2.758735831 | -2.56e-16 | -2.88052251 | -5.75e-17 | -1.136337417 | 9.41e-16 | -0.24928777 | 3.8029479 | 9369.428132 | 275.0 | null | -7.0 | 193.9393102 | 181.3457494 | 53.16224597 | 101.8914457 | 90.48873786 | 27.69273321 | 17.73531011 | 18.86801698 | 10.30654311 | 10.71272409 | 6.156181064 | 6.420129618 | null | null | null | null | 577.7588346 | 100.4229543 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 85.028114 | 1543.945181 | 0.495412844 | 0.889908257 | 1.366972477 | 0.6875 | 272.0 | PEPTIDE1922{[Mono6].[meL].L.[meF].[meF].[Gln(Mes)].[meL].L.[meL].[meL].[Asp_piperidide]}$PEPTIDE1922,PEPTIDE1922,1:R1-11:R2$$$ | PEPTIDE1922{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Gln(Mes)/">[Gln(Mes)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[... | -8.5 | 109 | 1415.023 | 1922 | null | null | 1.2e+95 | 18.40629206 | 43.77666111 | 29.35644121 | 829.51292 | null | 18.50433688 | 0.345668151 | 18.50433688 | 0.245642974 | 2.420193157 | 0.245642974 | -8.635609367 | -0.345668151 | 5.1604 | 418.2323 | 1545.055 | Circle | 11 | 11 | null | 5 | 28 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 5 | 29 | 0 | 41 | 0 | 2 | 2 | 610 | pd68 | null | -9.480503831 | 2.726656164 | 60.43853126 | 60.17892468 | 7.059210392 | 86.81662763 | 0.0 | 0.0 | 67.04410301 | 8.417796984 | 0.0 | 0.0 | 142.6468925 | 116.592823 | 236.3719568 | 39.97202013 | null | -7.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)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](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCC(=O)NS(C)(=O)=O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 247.7800517 | 86.81662763 | 0.0 | 65.15365087 | 35.36374611 | 244.3684285 | 74.50529146 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'L', 'meF', 'meF', 'Gln(Mes)', 'meL', 'L', 'meL', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.8193999999999995, 1.3581999999999996, 1.3581999999999996, -1.3706999999999994, 1.1616, 0.8193999999999995, 1.1616, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 92.34, 20.31, 29.1, 20.31, 20.31, 49.41] | 25.95437303 | 0.0 | 0.0 | 0.0 | 259.0946275 | 85.09812435 | 35.36374611 | 352.544618 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 1922 | null | 342.12 | null | 1211.776214 | 0.0 | 202.8207195 | -14.70601904 | -7.27716897 | -115.0082583 | -112.057641 | -122.4351035 | -147.7710398 | -8.00836975 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.107768614 | null |
12d47ad2a6986b86cfd509ce60a50d43de8f1fdaa434f4fe45d8f62dab67e655 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,922 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Abu', 'L', 'meL', 'meF', 'Gln(Mes)', 'meF', 'meL', 'L', 'Bu_Gly', 'meV', 'Asp_piperidide'] | 95 | 1923 | -6.85 | -6.85 | Circle | 3 | -3.25e-16 | -2.758068462 | -2.52e-16 | -2.880356827 | -9.85e-17 | -1.135780761 | 1.33e-15 | -0.249291373 | 3.835287163 | 9136.848005 | 263.0 | null | -6.85 | 188.9393102 | 176.3457494 | 52.16224597 | 99.39144572 | 87.98873786 | 27.19273321 | 17.34711351 | 18.47982038 | 10.27545902 | 10.68164 | 6.143744684 | 6.407693238 | null | < -6.85 | null | null | 565.0129848 | 89.45688589 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 90.51114823 | 1515.913881 | 0.570093458 | 1.065420561 | 1.61682243 | 0.679487179 | 259.0 | PEPTIDE1923{[Me_Abu].L.[meL].[meF].[Gln(Mes)].[meF].[meL].L.[Bu_Gly].[meV].[Asp_piperidide]}$PEPTIDE1923,PEPTIDE1923,1:R1-11:R2$$$ | PEPTIDE1923{<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Gln(Mes)/">[Gln(Mes)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Bu_Gl... | -8.5 | 107 | 1391.001 | 1923 | null | null | 7.04e+91 | 18.2519407 | 42.88774932 | 27.59830774 | 811.1631537 | null | 18.50978153 | 0.342496606 | 18.50978153 | 0.245632015 | 2.453604268 | 0.245632015 | -8.49533665 | -0.342496606 | 4.5243 | 409.0683 | 1517.001 | Circle | 11 | 11 | null | 5 | 28 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 5 | 29 | 0 | 41 | 0 | 2 | 2 | 598 | pd69 | null | -8.741576936 | 2.840732299 | 60.43853126 | 60.17892468 | 7.059210392 | 86.81662763 | 0.0 | 0.0 | 67.04410301 | 8.417796984 | 0.0 | 0.0 | 149.0198174 | 104.3259404 | 214.7986537 | 49.21039692 | null | -6.85 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](CC)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)NS(C)(=O)=O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C1=O | 242.2970175 | 86.81662763 | 0.0 | 65.15365087 | 29.46978843 | 237.9955036 | 74.02632424 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Me_Abu', 'L', 'meL', 'meF', 'Gln(Mes)', 'meF', 'meL', 'L', 'Bu_Gly', 'meV', 'Asp_piperidide'] | [0.5255000000000001, 0.8193999999999995, 1.1616, 1.3581999999999996, -1.3706999999999994, 1.3581999999999996, 1.1616, 0.8193999999999995, 0.9172, 0.7715000000000001, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 92.34, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 25.95437303 | 0.0 | 0.0 | 0.0 | 258.6156602 | 85.09812435 | 29.46978843 | 340.6886588 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 1923 | null | 342.12 | null | 1174.495077 | 0.0 | 203.1091022 | -14.59104199 | -7.40064384 | -108.5101795 | -112.0364081 | -112.9308469 | -149.3308992 | -7.970826474 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.108177626 | null |
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