ID,Source,Year,Version,Original_Name_in_Source_Literature,Structurally_Unique_ID,Same_Peptides_ID,Same_Peptides_Source,Same_Peptides_Permeability,Same_Peptides_Assay,SMILES,HELM,HELM_URL,Sequence,Sequence_LogP,Sequence_TPSA,Monomer_Length,Monomer_Length_in_Main_Chain,Molecule_Shape,Permeability,PAMPA,Caco2,MDCK,RRCK,Detection_Limit_1,Detection_Limit_2,R_PAMAP,R_Caco2,R_MDCK,R_RRCK,T_PAMPA,EPSA,PSA,_3DPSA,NULL,MaxEStateIndex,MinEStateIndex,MaxAbsEStateIndex,MinAbsEStateIndex,qed,MolWt,HeavyAtomMolWt,ExactMolWt,NumValenceElectrons,NumRadicalElectrons,MaxPartialCharge,MinPartialCharge,MaxAbsPartialCharge,MinAbsPartialCharge,FpDensityMorgan1,FpDensityMorgan2,FpDensityMorgan3,BCUT2D_MWHI,BCUT2D_MWLOW,BCUT2D_CHGHI,BCUT2D_CHGLO,BCUT2D_LOGPHI,BCUT2D_LOGPLOW,BCUT2D_MRHI,BCUT2D_MRLOW,BalabanJ,BertzCT,Chi0,Chi0n,Chi0v,Chi1,Chi1n,Chi1v,Chi2n,Chi2v,Chi3n,Chi3v,Chi4n,Chi4v,HallKierAlpha,Ipc,Kappa1,Kappa2,Kappa3,LabuteASA,PEOE_VSA1,PEOE_VSA10,PEOE_VSA11,PEOE_VSA12,PEOE_VSA13,PEOE_VSA14,PEOE_VSA2,PEOE_VSA3,PEOE_VSA4,PEOE_VSA5,PEOE_VSA6,PEOE_VSA7,PEOE_VSA8,PEOE_VSA9,SMR_VSA1,SMR_VSA10,SMR_VSA2,SMR_VSA3,SMR_VSA4,SMR_VSA5,SMR_VSA6,SMR_VSA7,SMR_VSA8,SMR_VSA9,SlogP_VSA1,SlogP_VSA10,SlogP_VSA11,SlogP_VSA12,SlogP_VSA2,SlogP_VSA3,SlogP_VSA4,SlogP_VSA5,SlogP_VSA6,SlogP_VSA7,SlogP_VSA8,SlogP_VSA9,TPSA,EState_VSA1,EState_VSA10,EState_VSA11,EState_VSA2,EState_VSA3,EState_VSA4,EState_VSA5,EState_VSA6,EState_VSA7,EState_VSA8,EState_VSA9,VSA_EState1,VSA_EState10,VSA_EState2,VSA_EState3,VSA_EState4,VSA_EState5,VSA_EState6,VSA_EState7,VSA_EState8,VSA_EState9,FractionCSP3,HeavyAtomCount,NHOHCount,NOCount,NumAliphaticCarbocycles,NumAliphaticHeterocycles,NumAliphaticRings,NumAromaticCarbocycles,NumAromaticHeterocycles,NumAromaticRings,NumHAcceptors,NumHDonors,NumHeteroatoms,NumRotatableBonds,NumSaturatedCarbocycles,NumSaturatedHeterocycles,NumSaturatedRings,RingCount,MolLogP,MolMR,fr_Al_COO,fr_Al_OH,fr_Al_OH_noTert,fr_ArN,fr_Ar_COO,fr_Ar_N,fr_Ar_NH,fr_Ar_OH,fr_COO,fr_COO2,fr_C_O,fr_C_O_noCOO,fr_C_S,fr_HOCCN,fr_Imine,fr_NH0,fr_NH1,fr_NH2,fr_N_O,fr_Ndealkylation1,fr_Ndealkylation2,fr_Nhpyrrole,fr_SH,fr_aldehyde,fr_alkyl_carbamate,fr_alkyl_halide,fr_allylic_oxid,fr_amide,fr_amidine,fr_aniline,fr_aryl_methyl,fr_azide,fr_azo,fr_barbitur,fr_benzene,fr_benzodiazepine,fr_bicyclic,fr_diazo,fr_dihydropyridine,fr_epoxide,fr_ester,fr_ether,fr_furan,fr_guanido,fr_halogen,fr_hdrzine,fr_hdrzone,fr_imidazole,fr_imide,fr_isocyan,fr_isothiocyan,fr_ketone,fr_ketone_Topliss,fr_lactam,fr_lactone,fr_methoxy,fr_morpholine,fr_nitrile,fr_nitro,fr_nitro_arom,fr_nitro_arom_nonortho,fr_nitroso,fr_oxazole,fr_oxime,fr_para_hydroxylation,fr_phenol,fr_phenol_noOrthoHbond,fr_phos_acid,fr_phos_ester,fr_piperdine,fr_piperzine,fr_priamide,fr_prisulfonamd,fr_pyridine,fr_quatN,fr_sulfide,fr_sulfonamd,fr_sulfone,fr_term_acetylene,fr_tetrazole,fr_thiazole,fr_thiocyan,fr_thiophene,fr_unbrch_alkane,fr_urea,PC1,PC2,CHCl3_3DPSA,H2O_3DPSA 8072,2023_Tanada,2023,1.2,サソAP8784,8072,,,,,CC[C@H](C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)CN(C)C(=O)[C@H](Cc2ccc(Cl)cc2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O,"PEPTIDE8072{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl)].W.[meF].[meV].D.[-pyrro]}$PEPTIDE8072,PEPTIDE8072,1:R1-11:R3$$$","PEPTIDE8072{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl)].W.[meF].[meV].D.[-pyrro]}$PEPTIDE8072,PEPTIDE8072,1:R1-11:R3$$$","['meA', 'I', 'Sar', 'Sar', 'Me_Phe(4-Cl)', 'Sar', 'Phe(3-Cl)', 'W', 'meF', 'meV', 'D', '-pyrro']","[0.1353999999999999, 0.8193999999999999, -0.2531000000000001, -0.2531000000000001, 2.0116, -0.2531000000000001, 1.6693999999999998, 1.4972999999999994, 1.3581999999999996, 0.7715000000000001, -0.6377000000000004, 0.712]","[20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 29.1, 44.89, 20.31, 20.31, 46.17, 3.24]",12,11,Lariat,-7.698970004,,-7.698970004,,,,,,,,,,,,,,18.14968013,-7.777649311,18.14968013,0.984848864,0.117971417,1417.548,1321.788,1415.660021,538,0,0.245641476,-0.360888473,0.360888473,0.245641476,0.6,1.26,1.93,10.15100589,-0.249274133,-5.08e-17,-2.698861763,4.46e-17,-2.875463902,4.94e-16,-1.125788129,2.205071166,8270.859962,155.9448637,142.9686852,49.48054307,85.08759814,72.16615332,25.68601429,17.09037539,17.84630433,10.69715086,11.07511533,6.355015633,6.591243429,-9.36,1.99e+73,19.83130383,35.6076758,20.18830777,728.2195242,65.41553453,48.14313975,7.059210392,70.88615675,0.0,0.0,57.53444621,0.0,0.0,0.0,129.4913976,83.8515568,193.9412903,69.72777775,187.9619267,104.9909615,0.0,65.41553453,11.78791537,133.3859995,81.31508672,141.1930858,0,0.0,21.23925341,0.0,0.0,23.20187978,244.5206643,83.02614581,11.78791537,205.3732362,108.8940132,17.10447702,10.90292493,0,294.67,514.8867037,50.88240067,57.53444621,0,0,0,0,0,0,0.0,102.7469596,870.464211,12.12643729,181.5646348,-17.99459582,-14.2150841,-71.92231721,-98.76677907,-53.12532064,-107.8256307,0.0,0.479452055,100,5,25,0,2,2,4,1,5,12,5,27,24,0,2,2,7,4.1158,379.7245,0,0,0,0,0,1,1,0,0,0,12,12,0,0,0,8,5,0,0,7,1,1,0,0,0,0,0,12,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4.565931044,9.258883735,, 8073,2023_Tanada,2023,1.2,2,8073,[8371],['2024_Kage'],[['-6.96']],[['Caco2']],CC[C@H](C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)CN(C)C(=O)[C@H](Cc2ccc(Cl)cc2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O,"PEPTIDE8073{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl)].F.[meF].[meV].D.[-pyrro]}$PEPTIDE8073,PEPTIDE8073,1:R1-11:R3$$$","PEPTIDE8073{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl)].F.[meF].[meV].D.[-pyrro]}$PEPTIDE8073,PEPTIDE8073,1:R1-11:R3$$$","['meA', 'I', 'Sar', 'Sar', 'Me_Phe(4-Cl)', 'Sar', 'Phe(3-Cl)', 'F', 'meF', 'meV', 'D', '-pyrro']","[0.1353999999999999, 0.8193999999999999, -0.2531000000000001, -0.2531000000000001, 2.0116, -0.2531000000000001, 1.6693999999999998, 1.0159999999999998, 1.3581999999999996, 0.7715000000000001, -0.6377000000000004, 0.712]","[20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 46.17, 3.24]",12,11,Lariat,-6.958607315,,-6.958607315,,,,,,,,,,,,,,17.98186424,-7.755761696,17.98186424,1.779389881,0.15835924,1378.511,1283.759,1376.649122,524,0,0.245641476,-0.342440307,0.342440307,0.245641476,0.567010309,1.164948454,1.773195876,10.10754767,-0.249274132,-1.17e-16,-2.698902607,-3.75e-17,-2.875593141,2.94e-16,-1.125788114,2.461251856,7834.781915,153.2128129,140.5214716,48.03332947,83.17691454,70.77172613,24.73880069,16.26816179,17.02409074,9.999937262,10.37790173,5.838703737,6.074931533,-8.9,1.5300000000000001e+72,19.09258107,35.90598972,21.29685797,710.8656721,60.43853126,48.14313975,5.647368313,70.88615675,0.0,0.0,57.53444621,0.0,0.0,0.0,141.5762351,77.80913809,176.8654702,69.72777775,186.5500846,94.08803653,0.0,60.43853126,11.78791537,133.3859995,81.31508672,141.0626093,0,0.0,21.23925341,0.0,0.0,23.20187978,239.5436611,83.02614581,11.78791537,205.3732362,108.7635367,15.69263494,0.0,0,278.88,498.876299,49.51164211,57.53444621,0,0,0,0,0,0,0.0,102.705876,856.4952327,12.0781962,181.4314488,-15.61407338,-12.24111298,-71.78288224,-102.5452887,-50.26110032,-107.5881978,0.0,0.492957746,97,4,24,0,2,2,4,0,4,12,4,26,24,0,2,2,6,3.6345,367.8678,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,0,0,12,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4.476160554,6.754494392,, 8074,2023_Tanada,2023,1.2,3,8074,,,,,CC[C@H](C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)CN(C)C(=O)[C@H](Cc2ccc(Cl)cc2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O,"PEPTIDE8074{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl)].A.[meF].[meV].D.[-pyrro]}$PEPTIDE8074,PEPTIDE8074,1:R1-11:R3$$$","PEPTIDE8074{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl)].A.[meF].[meV].D.[-pyrro]}$PEPTIDE8074,PEPTIDE8074,1:R1-11:R3$$$","['meA', 'I', 'Sar', 'Sar', 'Me_Phe(4-Cl)', 'Sar', 'Phe(3-Cl)', 'A', 'meF', 'meV', 'D', '-pyrro']","[0.1353999999999999, 0.8193999999999999, -0.2531000000000001, -0.2531000000000001, 2.0116, -0.2531000000000001, 1.6693999999999998, -0.2068000000000003, 1.3581999999999996, 0.7715000000000001, -0.6377000000000004, 0.712]","[20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 46.17, 3.24]",12,11,Lariat,-7.0,,-7.0,,,,,,,,,,,,,,17.56040312,-7.642543902,17.56040312,1.74823144,0.227953773,1302.413,1211.693,1300.617822,496,0,0.245641472,-0.342788037,0.342788037,0.245641472,0.615384615,1.263736264,1.89010989,10.06663975,-0.249274217,-1.36e-16,-2.698793238,-6.11e-17,-2.872163392,2.62e-16,-1.125788125,2.729473522,7179.649567,145.7487113,133.5214716,45.03332947,78.50148806,67.02172613,22.98880069,15.14316179,15.89909074,9.256535562,9.634500035,5.32638482,5.562612616,-8.12,1.73e+67,17.76020405,33.80233104,20.18597966,670.1886959,60.43853126,48.14313975,5.647368313,70.88615675,0.0,0.0,57.53444621,0.0,0.0,0.0,111.3641415,79.09757871,171.8633038,62.87398497,181.0670504,94.08803653,0.0,60.43853126,11.78791537,133.8649668,81.31508672,105.2870643,0,0.0,21.23925341,0.0,0.0,23.20187978,239.5436611,76.65322091,11.78791537,201.1786426,78.5514432,15.69263494,0.0,0,278.88,463.5797212,38.54557366,57.53444621,0,0,0,0,0,0,0.0,108.1889103,809.073413,11.96755405,178.2340535,-15.30709651,-8.899327035,-70.79032595,-88.37228531,-43.19381772,-112.7399458,0.0,0.538461538,91,4,24,0,2,2,3,0,3,12,4,26,23,0,2,2,5,2.4117,343.3958,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,0,0,12,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-3.625687997,5.283719145,, 8075,2023_Tanada,2023,1.2,4,8075,,,,,CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)C(=O)N(C)CC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C,"PEPTIDE8075{[meA].A.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl)].F.[meF].[meV].D.[-pyrro]}$PEPTIDE8075,PEPTIDE8075,1:R1-11:R3$$$","PEPTIDE8075{[meA].A.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl)].F.[meF].[meV].D.[-pyrro]}$PEPTIDE8075,PEPTIDE8075,1:R1-11:R3$$$","['meA', 'A', 'Sar', 'Sar', 'Me_Phe(4-Cl)', 'Sar', 'Phe(3-Cl)', 'F', 'meF', 'meV', 'D', '-pyrro']","[0.1353999999999999, -0.2068000000000003, -0.2531000000000001, -0.2531000000000001, 2.0116, -0.2531000000000001, 1.6693999999999998, 1.0159999999999998, 1.3581999999999996, 0.7715000000000001, -0.6377000000000004, 0.712]","[20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 46.17, 3.24]",12,11,Lariat,-7.0,,-7.0,,,,,,,,,,,,,,17.87955057,-7.654477129,17.87955057,1.727486286,0.1784724,1336.43,1247.726,1334.602172,506,0,0.245641476,-0.342801815,0.342801815,0.245641476,0.553191489,1.138297872,1.744680851,10.23198483,-0.248724513,-8.31e-17,-2.694261895,4.28e-17,-2.874744734,4.05e-16,-1.107371177,2.397812,7469.274915,145.7128129,133.0214716,46.53332947,79.42691454,67.02172613,23.98880069,15.76816179,16.52409074,9.638133863,10.01609834,5.616668453,5.852896248,-8.9,5.39e+66,18.97552117,34.31179593,20.3024324,683.3410228,60.43853126,48.14313975,5.647368313,70.88615675,0.0,0.0,57.53444621,0.0,0.0,0.0,121.4995259,78.76707252,168.6409188,69.72777775,178.3255332,94.08803653,0.0,60.43853126,5.893957685,120.1611825,81.31508672,141.0626093,0,0.0,21.23925341,0.0,0.0,23.20187978,239.5436611,83.02614581,5.893957685,183.9238679,108.7635367,15.69263494,0.0,0,278.88,479.7575243,39.8752487,57.53444621,0,0,0,0,0,0,0.0,104.1177181,797.67462,12.0589385,179.2174496,-15.01298827,-12.04699747,-62.94557817,-100.1224973,-43.3159674,-99.2847572,0.0,0.470588235,94,4,24,0,2,2,4,0,4,12,4,26,21,0,2,2,6,2.6083,354.0868,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,0,0,12,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-3.628261995,6.664428825,, 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3.24]",12,11,Lariat,-6.853871964,,-6.853871964,,,,,,,,,,,,,,18.01005881,-7.783040342,18.01005881,1.80822094,0.156621427,1392.538,1295.77,1390.664772,530,0,0.245641476,-0.342440307,0.342440307,0.245641476,0.56122449,1.163265306,1.765306122,10.07698932,-0.249274211,-1.51e-16,-2.703358162,7.9e-18,-2.876131974,4.54e-16,-1.125792883,2.490076016,7956.045619,155.7128129,143.0214716,48.53332947,84.42691454,72.02172613,24.98880069,16.50496519,17.26089414,10.2186734,10.59663787,5.94537806,6.181605855,-8.9,1.22e+74,19.13662238,36.08244581,20.82119953,720.0405552,60.43853126,54.16103222,5.647368313,70.88615675,0.0,0.0,57.53444621,0.0,0.0,0.0,141.5762351,84.66103021,180.9777458,61.86015951,189.2916017,94.08803653,0.0,60.43853126,11.78791537,146.2557841,74.81822704,141.0626093,0,0.0,21.23925341,0.0,0.0,23.20187978,239.0646939,83.02614581,11.78791537,214.9666454,108.7635367,15.69263494,0.0,0,278.88,505.2492239,48.14088355,57.53444621,0,0,0,0,0,0,0.0,106.8181517,876.9508412,12.08919815,182.4472717,-15.80248947,-12.33412418,-72.72871112,-110.4629447,-50.58685091,-108.3499684,0.0,0.5,98,4,24,0,2,2,4,0,4,12,4,26,25,0,2,2,6,4.023,372.4628,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,0,0,12,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4.782606193,6.623495258,, 8077,2023_Tanada,2023,1.2,6,8077,,,,,CC[C@H](C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)CN(C)C(=O)[C@H](Cc2ccc(Cl)cc2)N(C)C(=O)[C@H](C)N(C)C(=O)CN(C)C1=O,"PEPTIDE8077{[meA].I.[Sar].[meA].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl)].F.[meF].[meV].D.[-pyrro]}$PEPTIDE8077,PEPTIDE8077,1:R1-11:R3$$$","PEPTIDE8077{[meA].I.[Sar].[meA].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl)].F.[meF].[meV].D.[-pyrro]}$PEPTIDE8077,PEPTIDE8077,1:R1-11:R3$$$","['meA', 'I', 'Sar', 'meA', 'Me_Phe(4-Cl)', 'Sar', 'Phe(3-Cl)', 'F', 'meF', 'meV', 'D', '-pyrro']","[0.1353999999999999, 0.8193999999999999, -0.2531000000000001, 0.1353999999999999, 2.0116, -0.2531000000000001, 1.6693999999999998, 1.0159999999999998, 1.3581999999999996, 0.7715000000000001, -0.6377000000000004, 0.712]","[20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 46.17, 3.24]",12,11,Lariat,-7.301029996,,-7.301029996,,,,,,,,,,,,,,18.00725205,-7.775351057,18.00725205,1.824534509,0.156621427,1392.538,1295.77,1390.664772,530,0,0.245641476,-0.342440307,0.342440307,0.245641476,0.56122449,1.142857143,1.744897959,10.08433992,-0.24927421,-1.23e-16,-2.69954138,-2.34e-17,-2.875909978,3.3e-16,-1.12578848,2.490726126,7956.045619,155.7128129,143.0214716,48.53332947,84.42691454,72.02172613,24.98880069,16.50496519,17.26089414,10.2186734,10.59663787,5.94537806,6.181605855,-8.9,3.6e+73,19.13662238,36.08244581,20.82119953,720.0405552,60.43853126,54.16103222,5.647368313,70.88615675,0.0,0.0,57.53444621,0.0,0.0,0.0,141.5762351,84.66103021,180.9777458,61.86015951,189.2916017,94.08803653,0.0,60.43853126,11.78791537,146.2557841,74.81822704,141.0626093,0,0.0,21.23925341,0.0,0.0,23.20187978,239.0646939,83.02614581,11.78791537,214.9666454,108.7635367,15.69263494,0.0,0,278.88,505.2492239,48.14088355,57.53444621,0,0,0,0,0,0,0.0,106.8181517,876.9578402,12.09609063,182.4185914,-15.80242016,-12.38422926,-72.65758979,-110.5029578,-50.5957368,-108.3073663,0.0,0.5,98,4,24,0,2,2,4,0,4,12,4,26,25,0,2,2,6,4.023,372.4628,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,0,0,12,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4.777049722,6.622354533,, 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3.24]",12,11,Lariat,-7.15490196,,-7.15490196,,,,,,,,,,,,,,17.86689641,-7.719045014,17.86689641,1.893347916,0.226191543,1267.968,1176.24,1266.656794,490,0,0.245641476,-0.342440307,0.342440307,0.245641476,0.611111111,1.222222222,1.833333333,4.82e-15,-0.249274209,-1.41e-16,-2.698882788,-9.96e-17,-2.875349732,1.42e-16,-1.125788105,2.765390662,7173.707033,145.7487113,134.1435071,43.89943605,78.50148806,67.33274389,22.42185398,14.95417955,15.33214403,9.162044444,9.351026681,5.251188412,5.392925089,-8.41,4.93e+67,16.99288161,33.42192811,19.54526144,661.2904002,60.43853126,48.14313975,5.647368313,70.88615675,0.0,0.0,57.53444621,0.0,0.0,0.0,117.8904578,67.0127413,166.8406705,64.24474353,182.4378089,82.48709664,0.0,60.43853126,11.78791537,133.8649668,81.31508672,106.3068497,0,0.0,21.23925341,0.0,0.0,11.60093989,239.5436611,76.65322091,11.78791537,202.5494012,84.59386191,10.67000163,0.0,0,278.88,464.5995066,37.17481511,57.53444621,0,0,0,0,0,0,0.0,99.32948749,818.0232128,6.075717508,178.2279265,-13.65252099,-9.180142052,-70.89745868,-91.87021099,-43.68435077,-112.1810621,0.0,0.538461538,90,4,24,0,2,2,3,0,3,12,4,25,23,0,2,2,5,1.7583,338.3858,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,0,0,12,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2.954795038,4.262975982,, 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3.24]",12,11,Lariat,-7.096910013,,-7.096910013,,,,,,,,,,,,,,17.21991465,-7.565902527,17.21991465,1.755559678,0.227953773,1302.413,1211.693,1300.617822,496,0,0.245417451,-0.342440307,0.342440307,0.245417451,0.604395604,1.252747253,1.89010989,10.08246176,-0.24927421,-1.13e-16,-2.698427032,-4.94e-17,-2.872075753,2.62e-16,-1.125788123,2.724235288,7179.649567,145.7487113,133.5214716,45.03332947,78.50148806,67.02172613,22.98880069,15.14316179,15.89909074,9.256535562,9.634500035,5.298433971,5.534661766,-8.12,3.33e+66,17.76020405,33.80233104,20.18597966,670.1886959,60.43853126,48.14313975,5.647368313,70.88615675,0.0,0.0,57.53444621,0.0,0.0,0.0,111.3641415,79.09757871,171.8633038,62.87398497,181.0670504,94.08803653,0.0,60.43853126,11.78791537,133.8649668,81.31508672,105.2870643,0,0.0,21.23925341,0.0,0.0,23.20187978,239.5436611,76.65322091,11.78791537,201.1786426,78.5514432,15.69263494,0.0,0,278.88,463.5797212,38.54557366,57.53444621,0,0,0,0,0,0,0.0,108.1889103,808.3645752,12.00446901,178.1941204,-15.33935091,-8.803267097,-70.70628032,-88.01027399,-42.96732592,-112.7644442,0.0,0.538461538,91,4,24,0,2,2,3,0,3,12,4,26,23,0,2,2,5,2.4117,343.3958,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,0,0,12,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-3.515618849,5.277195371,, 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3.24]",12,11,Lariat,-6.920818754,,-6.920818754,,,,,,,,,,,,,,18.02087329,-8.030875198,18.02087329,1.855822212,0.187585237,1392.073,1293.289,1390.706779,538,0,0.41591949,-0.34249225,0.41591949,0.34249225,0.612244898,1.224489796,1.836734694,5.31e-15,-0.249287762,-1.72e-16,-2.71245244,-2.27e-17,-2.873849103,2.37e-16,-1.134956276,2.884427592,7808.852869,158.2487113,144.7774005,47.53332947,84.71281292,72.6496906,24.23880069,16.32693862,16.7049031,9.820517799,10.00950004,5.699855708,5.794346827,-8.62,9.47e+73,19.06141972,36.28078755,22.45955835,715.4465105,60.43853126,48.14313975,5.647368313,70.88615675,0.0,6.176298517,57.53444621,0.0,13.17124514,0.0,119.5094046,84.84307538,177.806739,68.43743646,205.2043639,82.48709664,0.0,60.43853126,17.68187306,159.6390072,81.31508672,105.8278825,0,0.0,21.23925341,13.17124514,0.0,11.60093989,239.5436611,82.82951943,17.68187306,237.3059045,78.5514432,10.67000163,0.0,0,278.88,495.7885375,53.62391778,70.70569135,0,0,0,0,0,0,0.0,92.4756947,933.5274292,5.908009403,180.3282967,-14.6151641,-13.65693241,-80.66372748,-96.48683984,-66.90196043,-121.3279999,0.0,0.571428571,98,4,24,0,2,2,3,0,3,12,4,28,27,0,2,2,5,4.1934,361.7858,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,3,0,12,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-6.246992309,4.001829546,, 8086,2023_Tanada,2023,1.2,16,8086,,,,,CC[C@H](C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cc(F)cc(Cl)c2)NC(=O)CN(C)C(=O)[C@H](Cc2ccc(Cl)cc2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O,"PEPTIDE8086{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl,5-F)].L.[meF].[meL].D.[-pyrro]}$PEPTIDE8086,PEPTIDE8086,1:R1-11:R3$$$","PEPTIDE8086{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3-Cl,5-F)].L.[meF].[meL].D.[-pyrro]}$PEPTIDE8086,PEPTIDE8086,1:R1-11:R3$$$","['meA', 'I', 'Sar', 'Sar', 'Me_Phe(4-Cl)', 'Sar', 'Phe(3-Cl,5-F)', 'L', 'meF', 'meL', 'D', '-pyrro']","[0.1353999999999999, 0.8193999999999999, -0.2531000000000001, -0.2531000000000001, 2.0116, -0.2531000000000001, 1.8085, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.6377000000000004, 0.712]","[20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 46.17, 3.24]",12,11,Lariat,-7.15490196,,-7.15490196,,,,,,,,,,,,,,18.00430299,-7.977823019,18.00430299,1.817460898,0.18935057,1376.511,1278.735,1374.671,526,0,0.245632015,-0.34249225,0.34249225,0.245632015,0.604166667,1.229166667,1.854166667,3.55e-15,-0.249287762,-1.71e-16,-2.712440329,-3.94e-17,-2.873837478,3.2e-16,-1.134956239,2.860281909,7657.407542,155.7487113,142.8994361,47.41129394,83.50148806,71.71070836,24.17778293,15.95714403,16.71307297,9.601026681,9.978991154,5.623962851,5.895904932,-8.19,3.36e+73,18.56237342,36.23965101,22.18134433,709.6487933,60.43853126,53.96036059,5.647368313,70.88615675,0.0,0.0,57.53444621,4.390415048,0.0,0.0,112.9830883,96.92791279,182.8293723,61.50322641,195.0527753,94.08803653,0.0,60.43853126,17.68187306,153.4627087,81.31508672,105.0618664,0,0.0,21.23925341,4.390415048,0.0,23.20187978,239.5436611,76.65322091,23.4990939,230.3716944,72.50902449,15.69263494,0.0,0,278.88,488.8462229,53.62391778,61.92486126,0,0,0,0,0,0,0.0,102.705876,895.2212881,11.88841838,180.4939047,-16.56804755,-9.60512265,-82.76282348,-91.13286667,-59.20155949,-120.3609691,0.0,0.565217391,96,4,24,0,2,2,3,0,3,12,4,27,27,0,2,2,5,3.9671,361.7518,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,0,0,12,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-5.825558438,4.535018418,, 8087,2023_Tanada,2023,1.2,17,8087,,,,,CC[C@H](C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cc(Cl)cc(Cl)c2)NC(=O)CN(C)C(=O)[C@H](Cc2ccc(Cl)cc2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O,"PEPTIDE8087{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3,5-diCl)].L.[meF].[meL].D.[-pyrro]}$PEPTIDE8087,PEPTIDE8087,1:R1-11:R3$$$","PEPTIDE8087{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Phe(3,5-diCl)].L.[meF].[meL].D.[-pyrro]}$PEPTIDE8087,PEPTIDE8087,1:R1-11:R3$$$","['meA', 'I', 'Sar', 'Sar', 'Me_Phe(4-Cl)', 'Sar', 'Phe(3,5-diCl)', 'L', 'meF', 'meL', 'D', '-pyrro']","[0.1353999999999999, 0.8193999999999999, -0.2531000000000001, -0.2531000000000001, 2.0116, -0.2531000000000001, 2.3228, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.6377000000000004, 0.712]","[20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 46.17, 3.24]",12,11,Lariat,-7.522878745,,-7.522878745,,,,,,,,,,,,,,18.02414426,-7.960539068,18.02414426,1.804004535,0.184460011,1392.966,1295.19,1390.64145,526,0,0.245632015,-0.34249225,0.34249225,0.245632015,0.572916667,1.177083333,1.78125,4.93e-15,-0.249287762,-1.63e-16,-2.712443742,-8.8e-17,-2.873825757,2.48e-16,-1.134956233,2.860281909,7654.652655,155.7487113,142.8994361,48.16722289,83.50148806,71.71070836,24.5557474,15.95714403,17.09103745,9.601026681,10.16797339,5.623962851,6.144784467,-7.83,3.36e+73,18.72192086,36.4977786,22.3672557,715.7865241,60.43853126,48.14313975,5.647368313,70.88615675,0.0,0.0,57.53444621,0.0,0.0,0.0,124.5840282,96.92791279,187.8520056,61.50322641,190.6623602,105.6889764,0.0,60.43853126,17.68187306,153.4627087,81.31508672,104.2672789,0,0.0,21.23925341,0.0,0.0,34.80281967,239.5436611,76.65322091,17.68187306,230.3716944,72.50902449,20.71526825,0.0,0,278.88,488.0516354,53.62391778,57.53444621,0,0,0,0,0,0,0.0,114.3068159,880.5421153,18.17771342,180.9169051,-18.2475741,-9.322384555,-79.31908614,-89.71356958,-58.91170799,-120.0390781,0.0,0.565217391,96,4,24,0,2,2,3,0,3,12,4,27,27,0,2,2,5,4.4814,366.8038,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,0,0,12,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-6.401760457,5.750676709,, 8088,2023_Tanada,2023,1.2,18,8088,,,,,CC[C@H](C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccc(C(F)(F)F)cc2)NC(=O)CN(C)C(=O)[C@H](Cc2ccc(Cl)cc2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O,"PEPTIDE8088{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Hph(4-CF3)].L.[meF].[meL].D.[-pyrro]}$PEPTIDE8088,PEPTIDE8088,1:R1-11:R3$$$","PEPTIDE8088{[meA].I.[Sar].[Sar].[Me_Phe(4-Cl)].[Sar].[Hph(4-CF3)].L.[meF].[meL].D.[-pyrro]}$PEPTIDE8088,PEPTIDE8088,1:R1-11:R3$$$","['meA', 'I', 'Sar', 'Sar', 'Me_Phe(4-Cl)', 'Sar', 'Hph(4-CF3)', 'L', 'meF', 'meL', 'D', '-pyrro']","[0.1353999999999999, 0.8193999999999999, -0.2531000000000001, -0.2531000000000001, 2.0116, -0.2531000000000001, 2.4249, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.6377000000000004, 0.712]","[20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 46.17, 3.24]",12,11,Lariat,-6.958607315,,-6.958607315,,,,,,,,,,,,,,18.05747339,-8.049822586,18.05747339,1.868251992,0.172680487,1406.1,1305.3,1404.722429,544,0,0.415909837,-0.342754524,0.415909837,0.342754524,0.616161616,1.212121212,1.808080808,4.78e-15,-0.249287762,-1.27e-16,-2.713025695,-4.64e-17,-2.873477446,2.96e-16,-1.134957826,2.893709317,7902.245684,160.7487113,147.2774005,48.03332947,85.96281292,73.8996906,24.48880069,16.45193862,16.8299031,9.883017799,10.07200004,5.671904859,5.766395977,-8.62,8.71e+75,19.10952456,36.99144706,23.23507903,724.6213936,60.43853126,48.14313975,5.647368313,70.88615675,0.0,6.176298517,57.53444621,0.0,13.17124514,0.0,113.4669859,103.6313439,174.1753312,68.43743646,207.9458811,82.48709664,0.0,60.43853126,17.68187306,166.0119321,81.31508672,105.8278825,0,0.0,21.23925341,13.17124514,0.0,11.60093989,239.5436611,82.82951943,17.68187306,246.4203465,78.5514432,10.67000163,0.0,0,278.88,502.1614624,56.36543489,70.70569135,0,0,0,0,0,0,0.0,92.4756947,951.3250386,5.912814592,180.6638768,-14.74790963,-12.97439497,-81.00017543,-96.79997139,-73.34027041,-121.6778971,0.0,0.577464789,99,4,24,0,2,2,3,0,3,12,4,28,28,0,2,2,5,4.5835,366.4028,0,0,0,0,0,0,0,0,0,0,12,12,0,0,0,8,4,0,0,7,1,0,0,0,0,3,0,12,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-6.58559773,3.915782085,, 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