diff --git "a/tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_Source_2016_Furukawa.csv.jsonl" "b/tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_Source_2016_Furukawa.csv.jsonl"
new file mode 100644--- /dev/null
+++ "b/tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_Source_2016_Furukawa.csv.jsonl"
@@ -0,0 +1,688 @@
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.11e-16","BCUT2D_CHGLO":"-2.708683348","BCUT2D_LOGPHI":"-2.71e-16","BCUT2D_LOGPLOW":"-2.858800972","BCUT2D_MRHI":"-1.08e-16","BCUT2D_MRLOW":"-1.13399394","BCUT2D_MWHI":"2.66e-16","BCUT2D_MWLOW":"-0.249290788","BalabanJ":"4.389546159","BertzCT":"3030.153614","CHCl3_3DPSA":"121.0","Caco2":"","Chi0":"77.63531001","Chi0n":"72.54101961","Chi0v":"20.54101961","Chi1":"40.44471109","Chi1n":"36.10512912","Chi1v":"10.21070193","Chi2n":"6.678731301","Chi2v":"6.678731301","Chi3n":"4.067163449","Chi3v":"4.067163449","Chi4n":"2.416245797","Chi4v":"2.416245797","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"221.1819446","EState_VSA10":"8.906812853","EState_VSA11":"23.97268592","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"4.736862954","EState_VSA9":"67.2493363","ExactMolWt":"608.389748","FpDensityMorgan1":"1.11627907","FpDensityMorgan2":"1.953488372","FpDensityMorgan3":"2.651162791","FractionCSP3":"0.8","H2O_3DPSA":"119.0","HELM":"PEPTIDE1134{A.[MeOEt_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1134,PEPTIDE1134,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1134{<a href=\"/monomers/A/\">A</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1134,PEPTIDE1134,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"43","HeavyAtomMolWt":"556.365","ID":"1134","Ipc":"1.89e+24","Kappa1":"6.949789521","Kappa2":"17.1688393","Kappa3":"9.903920648","LabuteASA":"328.7072262","MDCK":"","MaxAbsEStateIndex":"15.94349693","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"15.94349693","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"2.213340879","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-6.8217451","MinPartialCharge":"-0.38285076","MolLogP":"0.3673","MolMR":"160.5184","MolWt":"608.781","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"244","Original_Name_in_Source_Literature":"1.1-01","PAMPA":"-7.13","PC1":"5.665494679","PC2":"-2.166938702","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"33.30152615","PEOE_VSA7":"45.08944153","PEOE_VSA8":"81.48090788","PEOE_VSA9":"40.11408295","PSA":"","Permeability":"-7.13","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"91.58","R_RRCK":"","RingCount":"2","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"104.865698","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"96.56857987","SMR_VSA6":"53.05706302","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"132.1713502","SlogP_VSA3":"33.50408606","SlogP_VSA4":"5.893957685","SlogP_VSA5":"141.0349378","SlogP_VSA6":"0.0","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1134","TPSA":"148.67","T_PAMPA":"0.9","VSA_EState1":"442.702374","VSA_EState10":"0.0","VSA_EState2":"83.69756082","VSA_EState3":"-4.92528685","VSA_EState4":"0.0","VSA_EState5":"-31.23799322","VSA_EState6":"-25.78000667","VSA_EState7":"-35.03109181","VSA_EState8":"-67.32095145","VSA_EState9":"-4.604604778","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"2","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"0","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"1","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.384217931"},"row_index":0,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.19e-16","BCUT2D_CHGLO":"-2.712751427","BCUT2D_LOGPHI":"-2.27e-16","BCUT2D_LOGPLOW":"-2.856639015","BCUT2D_MRHI":"-8.68e-17","BCUT2D_MRLOW":"-1.137428392","BCUT2D_MWHI":"2.44e-16","BCUT2D_MWLOW":"-0.249292215","BalabanJ":"4.455194748","BertzCT":"3225.568886","CHCl3_3DPSA":"107.0","Caco2":"","Chi0":"81.92820323","Chi0n":"77.13277132","Chi0v":"21.13277132","Chi1":"42.48760431","Chi1n":"38.44688083","Chi1v":"10.55245364","Chi2n":"6.849607156","Chi2v":"6.849607156","Chi3n":"4.151390566","Chi3v":"4.151390566","Chi4n":"2.462883027","Chi4v":"2.462883027","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"233.5556737","EState_VSA10":"8.906812853","EState_VSA11":"23.97268592","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"72.73237052","ExactMolWt":"620.4261335","FpDensityMorgan1":"1.0","FpDensityMorgan2":"1.795454545","FpDensityMorgan3":"2.5","FractionCSP3":"0.8125","H2O_3DPSA":"109.0","HELM":"PEPTIDE1135{A.[pentyl_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1135,PEPTIDE1135,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1135{<a href=\"/monomers/A/\">A</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1135,PEPTIDE1135,1:R1-6:R2$$$","HallKierAlpha":"-3.18","HeavyAtomCount":"44","HeavyAtomMolWt":"564.388","ID":"1135","Ipc":"2.99e+28","Kappa1":"6.76425848","Kappa2":"17.94965655","Kappa3":"10.18944427","LabuteASA":"341.9434472","MDCK":"","MaxAbsEStateIndex":"16.03655372","MaxAbsPartialCharge":"0.343043686","MaxEStateIndex":"16.03655372","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"2.249129098","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-6.93465665","MinPartialCharge":"-0.343043686","MolLogP":"1.9111","MolMR":"168.1674","MolWt":"620.836","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"250","Original_Name_in_Source_Literature":"1.1-02","PAMPA":"-5.32","PC1":"5.425821061","PC2":"-1.611010695","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"52.89926807","PEOE_VSA7":"51.46236643","PEOE_VSA8":"89.52129954","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-5.32","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"85.76","R_RRCK":"","RingCount":"2","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC)CC(=O)N[C@@H](C)C1=O","SMR_VSA1":"105.6118693","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"122.5392467","SMR_VSA6":"39.46012532","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"[['PAMPA']]","Same_Peptides_ID":"[1570]","Same_Peptides_Permeability":"[['-5.40']]","Same_Peptides_Source":"['2016_Furukawa']","Sequence":"['A', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"118.5744125","SlogP_VSA3":"28.7672231","SlogP_VSA4":"5.893957685","SlogP_VSA5":"172.4886388","SlogP_VSA6":"0.0","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1135","TPSA":"139.44","T_PAMPA":"44.47","VSA_EState1":"475.4747899","VSA_EState10":"0.0","VSA_EState2":"84.24502861","VSA_EState3":"-5.071121734","VSA_EState4":"0.0","VSA_EState5":"-31.90662645","VSA_EState6":"-26.19209253","VSA_EState7":"-52.11639603","VSA_EState8":"-67.9335818","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"2","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"0","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.357979447"},"row_index":1,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-1.68e-16","BCUT2D_CHGLO":"-2.707625176","BCUT2D_LOGPHI":"-1.43e-16","BCUT2D_LOGPLOW":"-2.852326423","BCUT2D_MRHI":"6.93e-18","BCUT2D_MRLOW":"-1.133977343","BCUT2D_MWHI":"7.94e-16","BCUT2D_MWLOW":"-0.249290788","BalabanJ":"3.424201429","BertzCT":"3373.563941","CHCl3_3DPSA":"114.0","Caco2":"","Chi0":"79.39230485","Chi0n":"74.13277132","Chi0v":"22.13277132","Chi1":"42.16303079","Chi1n":"37.19688083","Chi1v":"11.30245364","Chi2n":"7.474607156","Chi2v":"7.474607156","Chi3n":"4.582292265","Chi3v":"4.582292265","Chi4n":"2.765485576","Chi4v":"2.765485576","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"243.3605519","EState_VSA10":"13.06017204","EState_VSA11":"23.97268592","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"63.09597711","ExactMolWt":"640.3948334","FpDensityMorgan1":"1.065217391","FpDensityMorgan2":"1.869565217","FpDensityMorgan3":"2.565217391","FractionCSP3":"0.647058824","H2O_3DPSA":"115.0","HELM":"PEPTIDE1136{A.[Bn_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1136,PEPTIDE1136,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1136{<a href=\"/monomers/A/\">A</a>.<a href=\"/monomers/Bn_Gly/\">[Bn_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1136,PEPTIDE1136,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"46","HeavyAtomMolWt":"588.41","ID":"1136","Ipc":"3.96e+26","Kappa1":"7.676674189","Kappa2":"17.09432322","Kappa3":"9.525757621","LabuteASA":"345.9208909","MDCK":"","MaxAbsEStateIndex":"16.0546478","MaxAbsPartialCharge":"0.343043481","MaxEStateIndex":"16.0546478","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"1.647846844","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-6.791464646","MinPartialCharge":"-0.343043481","MolLogP":"1.9211","MolMR":"173.9214","MolWt":"640.826","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"14","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"254","Original_Name_in_Source_Literature":"1.1-03","PAMPA":"-5.45","PC1":"6.486142951","PC2":"-0.20471419","PEOE_VSA1":"30.21926563","PEOE_VSA10":"30.56842956","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"63.51361969","PEOE_VSA7":"50.65289302","PEOE_VSA8":"74.44295542","PEOE_VSA9":"27.05823803","PSA":"","Permeability":"-5.45","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"84.14","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"100.1288351","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"103.0654396","SMR_VSA6":"32.96326564","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1137,PEPTIDE1137,1:R1-6:R2$$$","HallKierAlpha":"-3.18","HeavyAtomCount":"46","HeavyAtomMolWt":"588.41","ID":"1137","Ipc":"1.07e+29","Kappa1":"7.083689572","Kappa2":"17.65770127","Kappa3":"9.90918233","LabuteASA":"356.4774413","MDCK":"","MaxAbsEStateIndex":"16.17057569","MaxAbsPartialCharge":"0.343043685","MaxEStateIndex":"16.17057569","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"2.26867338","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-7.012663757","MinPartialCharge":"-0.343043685","MolLogP":"2.3012","MolMR":"175.2174","MolWt":"646.874","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"14","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"260","Original_Name_in_Source_Literature":"1.1-04","PAMPA":"-5.04","PC1":"4.573333568","PC2":"-1.605730427","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"52.42030086","PEOE_VSA7":"63.72924901","PEOE_VSA8":"92.26281665","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-5.04","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"74.7","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"108.3533864","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"128.4332044","SMR_VSA6":"39.46012532","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"[['PAMPA']]","Same_Peptides_ID":"[1571]","Same_Peptides_Permeability":"[['-5.05']]","Same_Peptides_Source":"['2016_Furukawa']","Sequence":"['A', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[0.8193999999999995, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1140,PEPTIDE1140,1:R1-6:R2$$$","HallKierAlpha":"-4.03","HeavyAtomCount":"47","HeavyAtomMolWt":"602.417","ID":"1140","Ipc":"1.4200000000000001e+28","Kappa1":"7.886005507","Kappa2":"17.76656669","Kappa3":"10.22725271","LabuteASA":"352.9104515","MDCK":"","MaxAbsEStateIndex":"16.0829407","MaxAbsPartialCharge":"0.343043685","MaxEStateIndex":"16.0829407","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"1.55553126","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-6.848030928","MinPartialCharge":"-0.343043685","MolLogP":"1.3586","MolMR":"176.5834","MolWt":"655.841","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"1","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"260","Original_Name_in_Source_Literature":"1.1-07","PAMPA":"-7.4","PC1":"6.322411724","PC2":"0.316595671","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"39.34394486","PEOE_VSA7":"63.06823663","PEOE_VSA8":"92.27178007","PEOE_VSA9":"29.44282204","PSA":"","Permeability":"-7.4","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"96.99","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"101.4995936","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"5.893957685","SMR_VSA5":"102.9415048","SMR_VSA6":"39.46012532","SMR_VSA7":"29.99407933","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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'PhPr_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1143,PEPTIDE1143,1:R1-6:R2$$$","HallKierAlpha":"-4.16","HeavyAtomCount":"48","HeavyAtomMolWt":"616.42","ID":"1143","Ipc":"8.71e+29","Kappa1":"8.071612888","Kappa2":"18.40123862","Kappa3":"10.41914066","LabuteASA":"360.2093193","MDCK":"","MaxAbsEStateIndex":"16.09170807","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"16.09170807","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"1.453812389","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-6.868759191","MinPartialCharge":"-0.491752534","MolLogP":"1.7999","MolMR":"180.5794","MolWt":"670.852","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"266","Original_Name_in_Source_Literature":"1.1-10","PAMPA":"-5.46","PC1":"5.532916393","PC2":"-0.565739712","PEOE_VSA1":"34.95612858","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"51.42878228","PEOE_VSA7":"57.17427894","PEOE_VSA8":"67.94609573","PEOE_VSA9":"42.79347451","PSA":"","Permeability":"-5.46","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"73.21","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"107.6072151","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"96.56857987","SMR_VSA6":"46.01911056","SMR_VSA7":"30.21209354","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'Mono39', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1147,PEPTIDE1147,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"49","HeavyAtomMolWt":"628.431","ID":"1147","Ipc":"8.88e+29","Kappa1":"8.21189556","Kappa2":"19.25585799","Kappa3":"11.0","LabuteASA":"369.3842024","MDCK":"","MaxAbsEStateIndex":"16.21353039","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.21353039","MaxPartialCharge":"0.245541619","MinAbsEStateIndex":"1.71290362","MinAbsPartialCharge":"0.245541619","MinEStateIndex":"-6.934962895","MinPartialCharge":"-0.38285076","MolLogP":"1.5901","MolMR":"184.9904","MolWt":"684.879","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"272","Original_Name_in_Source_Literature":"1.1-14","PAMPA":"-5.4","PC1":"5.379871296","PC2":"-0.372730927","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"63.51361969","PEOE_VSA7":"43.8010009","PEOE_VSA8":"86.48307422","PEOE_VSA9":"46.96787573","PSA":"","Permeability":"-5.4","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"77.03","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"110.3487322","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"96.08961265","SMR_VSA6":"53.05706302","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 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href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1150,PEPTIDE1150,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"50","HeavyAtomMolWt":"636.454","ID":"1150","Ipc":"7.13e+33","Kappa1":"8.001343729","Kappa2":"20.02990425","Kappa3":"11.28094112","LabuteASA":"382.6204234","MDCK":"","MaxAbsEStateIndex":"16.49033087","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.49033087","MaxPartialCharge":"0.245461161","MinAbsEStateIndex":"1.769435934","MinAbsPartialCharge":"0.245461161","MinEStateIndex":"-7.047874444","MinPartialCharge":"-0.342506689","MolLogP":"3.1339","MolMR":"192.6394","MolWt":"696.934","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"278","Original_Name_in_Source_Literature":"1.1-17","PAMPA":"-5.1","PC1":"5.079571656","PC2":"0.207263588","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"83.11136161","PEOE_VSA7":"50.1739258","PEOE_VSA8":"94.52346588","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-5.1","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"17.3","R_RRCK":"","RingCount":"3","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC)CC(=O)N[C@@H](Cc2ccccc2)C1=O","SMR_VSA1":"111.0949035","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"122.0602795","SMR_VSA6":"39.46012532","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"[['PAMPA']]","Same_Peptides_ID":"[1574]","Same_Peptides_Permeability":"[['-5.04']]","Same_Peptides_Source":"['2016_Furukawa']","Sequence":"['F', 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+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.07e-16","BCUT2D_CHGLO":"-2.713096076","BCUT2D_LOGPHI":"-2.03e-16","BCUT2D_LOGPLOW":"-2.861739709","BCUT2D_MRHI":"-4.71e-17","BCUT2D_MRLOW":"-1.134995472","BCUT2D_MWHI":"4.56e-16","BCUT2D_MWLOW":"-0.249291269","BalabanJ":"3.582405586","BertzCT":"3776.127344","CHCl3_3DPSA":"135.0","Caco2":"","Chi0":"88.52206136","Chi0n":"83.07998491","Chi0v":"24.07998491","Chi1":"46.73551043","Chi1n":"41.64409442","Chi1v":"12.24966723","Chi2n":"8.060017353","Chi2v":"8.060017353","Chi3n":"4.861800762","Chi3v":"4.861800762","Chi4n":"2.948808742","Chi4v":"2.948808742","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"263.0707858","EState_VSA10":"17.86094475","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"4.983978521","EState_VSA9":"63.09597711","ExactMolWt":"697.4526826","FpDensityMorgan1":"1.04","FpDensityMorgan2":"1.84","FpDensityMorgan3":"2.58","FractionCSP3":"0.702702703","H2O_3DPSA":"133.0","HELM":"PEPTIDE1151{L.[3-pyridylethyl_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1151,PEPTIDE1151,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1151{<a href=\"/monomers/L/\">L</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1151,PEPTIDE1151,1:R1-6:R2$$$","HallKierAlpha":"-4.03","HeavyAtomCount":"50","HeavyAtomMolWt":"638.45","ID":"1151","Ipc":"1.3799999999999998e+33","Kappa1":"8.124493345","Kappa2":"19.38542028","Kappa3":"11.24490877","LabuteASA":"380.4351009","MDCK":"","MaxAbsEStateIndex":"16.46033868","MaxAbsPartialCharge":"0.342747897","MaxEStateIndex":"16.46033868","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"1.660243831","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-7.025185045","MinPartialCharge":"-0.342747897","MolLogP":"2.3848","MolMR":"190.3644","MolWt":"697.922","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"1","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"278","Original_Name_in_Source_Literature":"1.1-18","PAMPA":"-6.14","PC1":"5.082186728","PC2":"0.463117875","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"53.0477291","PEOE_VSA7":"68.4832271","PEOE_VSA8":"100.4963314","PEOE_VSA9":"29.44282204","PSA":"","Permeability":"-6.14","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"86.62","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"109.724145","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"11.78791537","SMR_VSA5":"116.1663218","SMR_VSA6":"39.46012532","SMR_VSA7":"29.99407933","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[0.8193999999999995, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1152,PEPTIDE1152,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"51","HeavyAtomMolWt":"648.465","ID":"1152","Ipc":"8.66e+34","Kappa1":"8.086843467","Kappa2":"20.17453199","Kappa3":"12.06227241","LabuteASA":"391.7953065","MDCK":"","MaxAbsEStateIndex":"16.58343244","MaxAbsPartialCharge":"0.342747898","MaxEStateIndex":"16.58343244","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"1.639789623","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-7.103349651","MinPartialCharge":"-0.342747898","MolLogP":"3.3799","MolMR":"197.1864","MolWt":"710.961","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"284","Original_Name_in_Source_Literature":"1.1-19","PAMPA":"-5.11","PC1":"4.672851638","PC2":"0.019739965","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"77.21740393","PEOE_VSA7":"68.81373329","PEOE_VSA8":"90.89205809","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-5.11","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"14.25","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"113.8364206","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"122.5392467","SMR_VSA6":"39.46012532","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Mono40/\">[Mono40]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1154,PEPTIDE1154,1:R1-6:R2$$$","HallKierAlpha":"-3.97","HeavyAtomCount":"51","HeavyAtomMolWt":"652.457","ID":"1154","Ipc":"2.28e+35","Kappa1":"8.083068308","Kappa2":"19.58705406","Kappa3":"11.78149434","LabuteASA":"390.7674821","MDCK":"","MaxAbsEStateIndex":"16.56008082","MaxAbsPartialCharge":"0.342747898","MaxEStateIndex":"16.56008082","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"0.747006976","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-7.106525602","MinPartialCharge":"-0.342747898","MolLogP":"2.1134","MolMR":"193.9524","MolWt":"714.953","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"1","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"286","Original_Name_in_Source_Literature":"1.1-21","PAMPA":"-6.0","PC1":"4.995423086","PC2":"0.812961586","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.44902604","PEOE_VSA3":"0.0","PEOE_VSA4":"5.098681808","PEOE_VSA5":"0.0","PEOE_VSA6":"47.00531039","PEOE_VSA7":"68.81373329","PEOE_VSA8":"108.1530559","PEOE_VSA9":"32.87420014","PSA":"","Permeability":"-6.0","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"89.96","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2cnn(C)c2)C(=O)[C@H](CC(C)C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"113.8364206","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"39.99975037","SMR_VSA4":"18.76374227","SMR_VSA5":"122.5392467","SMR_VSA6":"39.46012532","SMR_VSA7":"17.90924191","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'Mono40', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[0.8193999999999995, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Bn_Gly/\">[Bn_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"118.5744125","SlogP_VSA3":"35.14014801","SlogP_VSA4":"11.78791537","SlogP_VSA5":"185.3187072","SlogP_VSA6":"30.21209354","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1157","TPSA":"139.44","T_PAMPA":"30.03","VSA_EState1":"545.6746492","VSA_EState10":"0.0","VSA_EState2":"87.67583671","VSA_EState3":"-5.267794714","VSA_EState4":"-2.74054637","VSA_EState5":"-39.38358981","VSA_EState6":"-37.83518891","VSA_EState7":"-69.65294997","VSA_EState8":"-59.47041614","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"2","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.379258882"},"row_index":23,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.37e-16","BCUT2D_CHGLO":"-2.768543789","BCUT2D_LOGPHI":"-2.47e-16","BCUT2D_LOGPLOW":"-2.869324346","BCUT2D_MRHI":"-2.75e-17","BCUT2D_MRLOW":"-1.133986705","BCUT2D_MWHI":"6.62e-16","BCUT2D_MWLOW":"-0.249290787","BalabanJ":"2.968045491","BertzCT":"3931.788121","CHCl3_3DPSA":"110.0","Caco2":"-5.98","Chi0":"90.59941163","Chi0n":"85.04101961","Chi0v":"25.04101961","Chi1":"48.12013757","Chi1n":"42.85512912","Chi1v":"12.96070193","Chi2n":"8.530793374","Chi2v":"8.530793374","Chi3n":"5.27981811","Chi3v":"5.27981811","Chi4n":"3.23766312","Chi4v":"3.23766312","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"274.6393627","EState_VSA10":"20.64354539","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"4.736862954","EState_VSA9":"61.68413503","ExactMolWt":"724.4523483","FpDensityMorgan1":"1.0","FpDensityMorgan2":"1.788461538","FpDensityMorgan3":"2.5","FractionCSP3":"0.692307692","H2O_3DPSA":"108.0","HELM":"PEPTIDE1158{F.[Mono38].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1158,PEPTIDE1158,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1158{<a href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1158,PEPTIDE1158,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"52","HeavyAtomMolWt":"664.464","ID":"1158","Ipc":"3.38e+34","Kappa1":"8.605794984","Kappa2":"19.72862527","Kappa3":"11.00543478","LabuteASA":"393.0930796","MDCK":"","MaxAbsEStateIndex":"16.7467468","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.7467468","MaxPartialCharge":"0.245470864","MinAbsEStateIndex":"1.783587909","MinAbsPartialCharge":"0.245470864","MinEStateIndex":"-7.08639808","MinPartialCharge":"-0.381428301","MolLogP":"2.3703","MolMR":"196.6574","MolWt":"724.944","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"288","Original_Name_in_Source_Literature":"1.1-25","PAMPA":"-5.5","PC1":"4.245254284","PC2":"-0.696767672","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"63.51361969","PEOE_VSA7":"62.44080839","PEOE_VSA8":"102.1584021","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-5.5","RRCK":"","R_Caco2":"92.6","R_MDCK":"","R_PAMAP":"74.18","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.8317665","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"108.8354625","SMR_VSA6":"52.57809581","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"[['PAMPA']]","Same_Peptides_ID":"[1578]","Same_Peptides_Permeability":"[['-5.18']]","Same_Peptides_Source":"['2016_Furukawa']","Sequence":"['F', 'Mono38', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"131.692383","SlogP_VSA3":"39.87701096","SlogP_VSA4":"11.78791537","SlogP_VSA5":"163.4584154","SlogP_VSA6":"30.21209354","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1158","TPSA":"148.67","T_PAMPA":"32.43","VSA_EState1":"530.7029737","VSA_EState10":"0.0","VSA_EState2":"87.5084578","VSA_EState3":"-5.215694533","VSA_EState4":"-2.707949952","VSA_EState5":"-38.99091683","VSA_EState6":"-37.56771568","VSA_EState7":"-53.10448484","VSA_EState8":"-69.37466971","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"2","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.376719798"},"row_index":24,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1161,PEPTIDE1161,1:R1-6:R2$$$","HallKierAlpha":"-4.74","HeavyAtomCount":"54","HeavyAtomMolWt":"684.498","ID":"1161","Ipc":"1.5699999999999999e+35","Kappa1":"9.103721574","Kappa2":"20.64328639","Kappa3":"11.62824442","LabuteASA":"404.9476334","MDCK":"","MaxAbsEStateIndex":"16.71300853","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.71300853","MaxPartialCharge":"0.245461339","MinAbsEStateIndex":"1.602513495","MinAbsPartialCharge":"0.245461339","MinEStateIndex":"-7.039413328","MinPartialCharge":"-0.342506689","MolLogP":"3.5765","MolMR":"207.8774","MolWt":"744.978","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"294","Original_Name_in_Source_Literature":"1.1-28","PAMPA":"-5.38","PC1":"5.007633886","PC2":"1.541913548","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"93.72571323","PEOE_VSA7":"62.11030219","PEOE_VSA8":"87.6696731","PEOE_VSA9":"37.66737338","PSA":"","Permeability":"-5.38","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"9.09","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"111.0949035","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"108.8354625","SMR_VSA6":"39.46012532","SMR_VSA7":"71.55109006","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'PhPr_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1162,PEPTIDE1162,1:R1-6:R2$$$","HallKierAlpha":"-4.94","HeavyAtomCount":"54","HeavyAtomMolWt":"688.486","ID":"1162","Ipc":"1.2899999999999999e+33","Kappa1":"9.354833449","Kappa2":"20.49741512","Kappa3":"11.52852362","LabuteASA":"400.8862955","MDCK":"","MaxAbsEStateIndex":"16.56887587","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"16.56887587","MaxPartialCharge":"0.245580677","MinAbsEStateIndex":"1.507328309","MinAbsPartialCharge":"0.245580677","MinEStateIndex":"-6.981976985","MinPartialCharge":"-0.491752534","MolLogP":"3.0227","MolMR":"205.0514","MolWt":"746.95","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"294","Original_Name_in_Source_Literature":"1.1-29","PAMPA":"-5.47","PC1":"4.801039472","PC2":"1.01368214","PEOE_VSA1":"34.95612858","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"81.64087582","PEOE_VSA7":"55.88583831","PEOE_VSA8":"72.94826208","PEOE_VSA9":"49.64726729","PSA":"","Permeability":"-5.47","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"10.42","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"113.0902494","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"96.08961265","SMR_VSA6":"46.01911056","SMR_VSA7":"65.98763857","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1163,PEPTIDE1163,1:R1-6:R2$$$","HallKierAlpha":"-4.48","HeavyAtomCount":"54","HeavyAtomMolWt":"684.498","ID":"1163","Ipc":"5.61e+36","Kappa1":"8.889135814","Kappa2":"20.2704159","Kappa3":"11.03878355","LabuteASA":"408.1120289","MDCK":"","MaxAbsEStateIndex":"16.7839637","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.7839637","MaxPartialCharge":"0.245461164","MinAbsEStateIndex":"1.45770033","MinAbsPartialCharge":"0.245461164","MinEStateIndex":"-7.086715085","MinPartialCharge":"-0.342506689","MolLogP":"4.2871","MolMR":"210.1454","MolWt":"746.994","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"296","Original_Name_in_Source_Literature":"1.1-30","PAMPA":"-6.49","PC1":"4.72946362","PC2":"1.63779998","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"95.19619903","PEOE_VSA7":"60.94637423","PEOE_VSA8":"94.52346588","PEOE_VSA9":"33.55509771","PSA":"","Permeability":"-6.49","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"6.79","R_RRCK":"","RingCount":"4","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC)CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C1=O","SMR_VSA1":"113.8364206","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"122.0602795","SMR_VSA6":"39.46012532","SMR_VSA7":"47.86038245","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[2.1692, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[2.1692, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1168,PEPTIDE1168,1:R1-6:R2$$$","HallKierAlpha":"-4.52","HeavyAtomCount":"56","HeavyAtomMolWt":"712.508","ID":"1168","Ipc":"1.07e+38","Kappa1":"9.504939459","Kappa2":"20.06599683","Kappa3":"10.86030628","LabuteASA":"418.5846851","MDCK":"","MaxAbsEStateIndex":"17.04037964","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"17.04037964","MaxPartialCharge":"0.245470867","MinAbsEStateIndex":"1.467965865","MinAbsPartialCharge":"0.245470867","MinEStateIndex":"-7.125238721","MinPartialCharge":"-0.381428301","MolLogP":"3.5235","MolMR":"214.1634","MolWt":"775.004","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"306","Original_Name_in_Source_Literature":"1.1-35","PAMPA":"-5.23","PC1":"3.890776516","PC2":"0.720702697","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"75.59845711","PEOE_VSA7":"73.21325682","PEOE_VSA8":"102.1584021","PEOE_VSA9":"39.03813194","PSA":"","Permeability":"-5.23","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"27.37","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"118.5732836","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"108.8354625","SMR_VSA6":"52.57809581","SMR_VSA7":"47.86038245","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono38', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[2.1692, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"131.692383","SlogP_VSA3":"39.87701096","SlogP_VSA4":"11.78791537","SlogP_VSA5":"166.1999325","SlogP_VSA6":"42.29693095","SlogP_VSA7":"2.823684157","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1168","TPSA":"148.67","T_PAMPA":"51.43","VSA_EState1":"553.686995","VSA_EState10":"0.0","VSA_EState2":"88.48365745","VSA_EState3":"-8.510950779","VSA_EState4":"-2.752829014","VSA_EState5":"-39.26706474","VSA_EState6":"-40.39942979","VSA_EState7":"-53.46955229","VSA_EState8":"-69.85415914","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"2","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.375639626"},"row_index":34,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1175,PEPTIDE1175,1:R1-6:R2$$$","HallKierAlpha":"-3.18","HeavyAtomCount":"45","HeavyAtomMolWt":"576.399","ID":"1175","Ipc":"3.06e+30","Kappa1":"6.855460661","Kappa2":"18.70791859","Kappa3":"10.98875915","LabuteASA":"351.1183303","MDCK":"","MaxAbsEStateIndex":"16.12361916","MaxAbsPartialCharge":"0.343043685","MaxEStateIndex":"16.12361916","MaxPartialCharge":"0.245345021","MinAbsEStateIndex":"2.313223486","MinAbsPartialCharge":"0.245345021","MinEStateIndex":"-6.97518303","MinPartialCharge":"-0.343043685","MolLogP":"2.3012","MolMR":"172.7844","MolWt":"634.863","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"256","Original_Name_in_Source_Literature":"1.2-02","PAMPA":"-5.05","PC1":"5.191292198","PC2":"-1.567415326","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"59.75116019","PEOE_VSA7":"50.98339921","PEOE_VSA8":"92.26281665","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-5.05","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"83.08","R_RRCK":"","RingCount":"2","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CCC)CC(=O)N[C@@H](C)C1=O","SMR_VSA1":"108.3533864","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"128.9121716","SMR_VSA6":"39.46012532","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1178,PEPTIDE1178,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"47","HeavyAtomMolWt":"604.409","ID":"1178","Ipc":"3.45e+29","Kappa1":"7.43926424","Kappa2":"18.35729224","Kappa3":"10.63753521","LabuteASA":"361.5909865","MDCK":"","MaxAbsEStateIndex":"16.19282668","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.19282668","MaxPartialCharge":"0.245345021","MinAbsEStateIndex":"2.319330267","MinAbsPartialCharge":"0.245345021","MinEStateIndex":"-7.013706666","MinPartialCharge":"-0.381428301","MolLogP":"1.5376","MolMR":"176.8024","MolWt":"662.873","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"266","Original_Name_in_Source_Literature":"1.2-05","PAMPA":"-6.69","PC1":"4.485339279","PC2":"-2.354707763","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"40.15341827","PEOE_VSA7":"63.2502818","PEOE_VSA8":"99.89775291","PEOE_VSA9":"29.44282204","PSA":"","Permeability":"-6.69","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"90.63","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](C)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"113.0902494","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"115.6873546","SMR_VSA6":"52.57809581","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'Mono38', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"131.692383","SlogP_VSA3":"33.50408606","SlogP_VSA4":"11.78791537","SlogP_VSA5":"168.3782638","SlogP_VSA6":"0.0","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1178","TPSA":"148.67","T_PAMPA":"2.5","VSA_EState1":"504.3174567","VSA_EState10":"0.0","VSA_EState2":"85.42530888","VSA_EState3":"-5.199374435","VSA_EState4":"0.0","VSA_EState5":"-38.59301853","VSA_EState6":"-26.64488385","VSA_EState7":"-52.4352843","VSA_EState8":"-74.37020444","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"0","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.380650723"},"row_index":44,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.57e-16","BCUT2D_CHGLO":"-2.713294491","BCUT2D_LOGPHI":"-2.68e-16","BCUT2D_LOGPLOW":"-2.864422605","BCUT2D_MRHI":"-1.65e-16","BCUT2D_MRLOW":"-1.134997534","BCUT2D_MWHI":"1.55e-17","BCUT2D_MWLOW":"-0.249291299","BalabanJ":"4.649860806","BertzCT":"3449.911691","CHCl3_3DPSA":"120.0","Caco2":"","Chi0":"87.63531001","Chi0n":"82.54101961","Chi0v":"22.54101961","Chi1":"45.44471109","Chi1n":"41.10512912","Chi1v":"11.21070193","Chi2n":"7.303731301","Chi2v":"7.303731301","Chi3n":"4.366466848","Chi3v":"4.366466848","Chi4n":"2.671966414","Chi4v":"2.671966414","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"246.6736442","EState_VSA10":"9.636393415","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"4.736862954","EState_VSA9":"72.691287","ExactMolWt":"664.4523483","FpDensityMorgan1":"0.957446809","FpDensityMorgan2":"1.70212766","FpDensityMorgan3":"2.404255319","FractionCSP3":"0.823529412","H2O_3DPSA":"117.0","HELM":"PEPTIDE1179{L.[MeOEt_Gly].[meL].[Nle].[dP].[Pr_Gly]}$PEPTIDE1179,PEPTIDE1179,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1179{<a href=\"/monomers/L/\">L</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1179,PEPTIDE1179,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"47","HeavyAtomMolWt":"604.409","ID":"1179","Ipc":"1.0700000000000001e+32","Kappa1":"7.29794405","Kappa2":"19.56508971","Kappa3":"11.75978402","LabuteASA":"365.4067586","MDCK":"","MaxAbsEStateIndex":"16.21694104","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.21694104","MaxPartialCharge":"0.245345021","MinAbsEStateIndex":"2.377331961","MinAbsPartialCharge":"0.245345021","MinEStateIndex":"-7.039425598","MinPartialCharge":"-0.38285076","MolLogP":"1.7836","MolMR":"178.9164","MolWt":"664.889","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"268","Original_Name_in_Source_Literature":"1.2-06","PAMPA":"-5.16","PC1":"4.258533566","PC2":"-2.013622028","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"53.85720251","PEOE_VSA7":"50.02546478","PEOE_VSA8":"92.44697633","PEOE_VSA9":"40.11408295","PSA":"","Permeability":"-5.16","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"84.57","R_RRCK":"","RingCount":"2","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](CC(C)C)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.8317665","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"116.1663218","SMR_VSA6":"53.05706302","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[0.8193999999999995, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1180,PEPTIDE1180,1:R1-6:R2$$$","HallKierAlpha":"-4.03","HeavyAtomCount":"48","HeavyAtomMolWt":"614.428","ID":"1180","Ipc":"3.87e+30","Kappa1":"7.963472056","Kappa2":"18.49654403","Kappa3":"10.48482116","LabuteASA":"362.0853346","MDCK":"","MaxAbsEStateIndex":"16.15388522","MaxAbsPartialCharge":"0.343043683","MaxEStateIndex":"16.15388522","MaxPartialCharge":"0.245345021","MinAbsEStateIndex":"1.575484898","MinAbsPartialCharge":"0.245345021","MinEStateIndex":"-6.888557309","MinPartialCharge":"-0.343043683","MolLogP":"1.7487","MolMR":"181.2004","MolWt":"669.868","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"1","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"266","Original_Name_in_Source_Literature":"1.2-07","PAMPA":"-6.94","PC1":"6.050997117","PC2":"0.414847546","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"46.19583698","PEOE_VSA7":"62.58926941","PEOE_VSA8":"95.01329718","PEOE_VSA9":"29.44282204","PSA":"","Permeability":"-6.94","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"102.53","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](C)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"104.2411107","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"5.893957685","SMR_VSA5":"109.3144297","SMR_VSA6":"39.46012532","SMR_VSA7":"29.99407933","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'pentyl_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[0.8193999999999995, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1182,PEPTIDE1182,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"49","HeavyAtomMolWt":"624.443","ID":"1182","Ipc":"5.35e+30","Kappa1":"7.917418039","Kappa2":"19.28549412","Kappa3":"11.2875073","LabuteASA":"373.4455403","MDCK":"","MaxAbsEStateIndex":"16.20881055","MaxAbsPartialCharge":"0.343043685","MaxEStateIndex":"16.20881055","MaxPartialCharge":"0.245345021","MinAbsEStateIndex":"1.566885993","MinAbsPartialCharge":"0.245345021","MinEStateIndex":"-6.966721914","MinPartialCharge":"-0.343043685","MolLogP":"2.7438","MolMR":"188.0224","MolWt":"682.907","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"272","Original_Name_in_Source_Literature":"1.2-09","PAMPA":"-4.96","PC1":"5.655113988","PC2":"-0.000522649","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"70.36551181","PEOE_VSA7":"62.9197756","PEOE_VSA8":"85.40902387","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-4.96","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"67.65","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](C)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"108.3533864","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"115.6873546","SMR_VSA6":"39.46012532","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'PhPr_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"118.5744125","SlogP_VSA3":"35.14014801","SlogP_VSA4":"5.893957685","SlogP_VSA5":"167.5687904","SlogP_VSA6":"30.21209354","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1182","TPSA":"139.44","T_PAMPA":"73.83","VSA_EState1":"500.8259473","VSA_EState10":"0.0","VSA_EState2":"85.66181148","VSA_EState3":"-5.119464268","VSA_EState4":"-2.29132506","VSA_EState5":"-32.21559962","VSA_EState6":"-35.68393823","VSA_EState7":"-52.28933196","VSA_EState8":"-63.63809969","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.368282485"},"row_index":48,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1185,PEPTIDE1185,1:R1-6:R2$$$","HallKierAlpha":"-3.71","HeavyAtomCount":"49","HeavyAtomMolWt":"630.427","ID":"1185","Ipc":"1.41e+32","Kappa1":"7.863734952","Kappa2":"18.88794954","Kappa3":"10.88892037","LabuteASA":"374.1687096","MDCK":"","MaxAbsEStateIndex":"16.1981886","MaxAbsPartialCharge":"0.343043685","MaxEStateIndex":"16.1981886","MaxPartialCharge":"0.245345021","MinAbsEStateIndex":"1.66072963","MinAbsPartialCharge":"0.245345021","MinEStateIndex":"-7.034304549","MinPartialCharge":"-0.343043685","MolLogP":"1.1235","MolMR":"183.6904","MolWt":"689.899","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"276","Original_Name_in_Source_Literature":"1.2-12","PAMPA":"-7.96","PC1":"4.599536299","PC2":"-1.713972471","PEOE_VSA1":"35.11917536","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"40.15341827","PEOE_VSA7":"57.35632411","PEOE_VSA8":"113.0002195","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-7.96","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"96.89","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCN2CCCC2=O)C(=O)[C@H](C)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"114.5186821","SMR_VSA10":"41.35025811","SMR_VSA2":"0.0","SMR_VSA3":"35.11917536","SMR_VSA4":"5.893957685","SMR_VSA5":"122.0602795","SMR_VSA6":"52.45384469","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'Mono41', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 40.620000000000005, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"142.3752213","SlogP_VSA3":"33.56176029","SlogP_VSA4":"5.893957685","SlogP_VSA5":"176.1219473","SlogP_VSA6":"0.0","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1185","TPSA":"159.75","T_PAMPA":"0.1","VSA_EState1":"507.0418154","VSA_EState10":"0.0","VSA_EState2":"97.35824635","VSA_EState3":"-5.236199226","VSA_EState4":"0.0","VSA_EState5":"-35.75457437","VSA_EState6":"-26.71893176","VSA_EState7":"-56.92557148","VSA_EState8":"-75.09811825","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"7","fr_C_O_noCOO":"7","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"5","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"1","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"7","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"0","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.329053615"},"row_index":51,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.15e-16","BCUT2D_CHGLO":"-2.711261107","BCUT2D_LOGPHI":"-2.23e-16","BCUT2D_LOGPLOW":"-2.856914069","BCUT2D_MRHI":"-8.65e-17","BCUT2D_MRLOW":"-1.134997542","BCUT2D_MWHI":"3.02e-16","BCUT2D_MWLOW":"-0.249291299","BalabanJ":"3.624086484","BertzCT":"3799.650908","CHCl3_3DPSA":"115.0","Caco2":"","Chi0":"89.39230485","Chi0n":"84.13277132","Chi0v":"24.13277132","Chi1":"47.16303079","Chi1n":"42.19688083","Chi1v":"12.30245364","Chi2n":"8.099607156","Chi2v":"8.099607156","Chi3n":"4.881595664","Chi3v":"4.881595664","Chi4n":"3.021206193","Chi4v":"3.021206193","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"268.8522515","EState_VSA10":"17.86094475","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"64.46673566","ExactMolWt":"696.4574336","FpDensityMorgan1":"0.94","FpDensityMorgan2":"1.68","FpDensityMorgan3":"2.38","FractionCSP3":"0.684210526","H2O_3DPSA":"115.0","HELM":"PEPTIDE1186{L.[Bn_Gly].[meL].[Nle].[dP].[Pr_Gly]}$PEPTIDE1186,PEPTIDE1186,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1186{<a href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Bn_Gly/\">[Bn_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1186,PEPTIDE1186,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"50","HeavyAtomMolWt":"636.454","ID":"1186","Ipc":"8.98e+33","Kappa1":"8.001343729","Kappa2":"19.43681008","Kappa3":"11.28094112","LabuteASA":"382.6204234","MDCK":"","MaxAbsEStateIndex":"16.50108485","MaxAbsPartialCharge":"0.342747692","MaxEStateIndex":"16.50108485","MaxPartialCharge":"0.24542719","MinAbsEStateIndex":"1.792292723","MinAbsPartialCharge":"0.24542719","MinEStateIndex":"-7.009145143","MinPartialCharge":"-0.342747692","MolLogP":"3.3374","MolMR":"192.3194","MolWt":"696.934","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"278","Original_Name_in_Source_Literature":"1.2-13","PAMPA":"-5.2","PC1":"5.069347546","PC2":"-0.03163791","PEOE_VSA1":"30.21926563","PEOE_VSA10":"30.56842956","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"84.06929604","PEOE_VSA7":"55.58891627","PEOE_VSA8":"85.40902387","PEOE_VSA9":"27.05823803","PSA":"","Permeability":"-5.2","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"16.65","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"111.0949035","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"122.6631815","SMR_VSA6":"32.96326564","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[0.8193999999999995, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[0.8193999999999995, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1189,PEPTIDE1189,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"50","HeavyAtomMolWt":"640.442","ID":"1189","Ipc":"2.46e+35","Kappa1":"7.708104852","Kappa2":"19.98208665","Kappa3":"11.66442997","LabuteASA":"389.1156358","MDCK":"","MaxAbsEStateIndex":"16.70425749","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.70425749","MaxPartialCharge":"0.245345021","MinAbsEStateIndex":"2.419226962","MinAbsPartialCharge":"0.245345021","MinEStateIndex":"-7.190860783","MinPartialCharge":"-0.381428301","MolLogP":"2.5638","MolMR":"190.5834","MolWt":"704.954","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"284","Original_Name_in_Source_Literature":"1.2-16","PAMPA":"-5.34","PC1":"3.234628466","PC2":"-2.207009138","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"53.85720251","PEOE_VSA7":"68.66527227","PEOE_VSA8":"108.1223042","PEOE_VSA9":"29.44282204","PSA":"","Permeability":"-5.34","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"88.56","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](CC(C)C)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"121.3148007","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"17.68187306","SMR_VSA5":"128.9121716","SMR_VSA6":"52.57809581","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'Mono38', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[0.8193999999999995, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"131.692383","SlogP_VSA3":"33.50408606","SlogP_VSA4":"17.68187306","SlogP_VSA5":"189.8276322","SlogP_VSA6":"0.0","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1189","TPSA":"148.67","T_PAMPA":"43.03","VSA_EState1":"561.4703389","VSA_EState10":"0.0","VSA_EState2":"87.08304526","VSA_EState3":"-5.610933242","VSA_EState4":"0.0","VSA_EState5":"-46.46335165","VSA_EState6":"-27.82784402","VSA_EState7":"-60.38989014","VSA_EState8":"-82.0113651","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"0","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.336072227"},"row_index":55,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[0.8193999999999995, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'PhPr_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[0.8193999999999995, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"118.5744125","SlogP_VSA3":"35.14014801","SlogP_VSA4":"11.78791537","SlogP_VSA5":"189.0181588","SlogP_VSA6":"30.21209354","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1192","TPSA":"139.44","T_PAMPA":"28.43","VSA_EState1":"557.9804147","VSA_EState10":"0.0","VSA_EState2":"87.31954787","VSA_EState3":"-5.531023074","VSA_EState4":"-2.435318019","VSA_EState5":"-39.77910708","VSA_EState6":"-37.41121568","VSA_EState7":"-60.22905679","VSA_EState8":"-70.91424196","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.317858463"},"row_index":58,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.05e-16","BCUT2D_CHGLO":"-2.712790501","BCUT2D_LOGPHI":"-2.42e-16","BCUT2D_LOGPLOW":"-2.864673305","BCUT2D_MRHI":"-1.24e-16","BCUT2D_MRLOW":"-1.13499753","BCUT2D_MWHI":"3.31e-16","BCUT2D_MWLOW":"-0.249291299","BalabanJ":"3.603214329","BertzCT":"3934.547545","CHCl3_3DPSA":"134.0","Caco2":"","Chi0":"92.59941163","Chi0n":"87.04101961","Chi0v":"25.04101961","Chi1":"48.88615733","Chi1n":"43.60512912","Chi1v":"12.71070193","Chi2n":"8.257855447","Chi2v":"8.257855447","Chi3n":"4.945590993","Chi3v":"4.945590993","Chi4n":"3.012559523","Chi4v":"3.012559523","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"275.5972971","EState_VSA10":"20.60246186","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"4.736862954","EState_VSA9":"64.46673566","ExactMolWt":"726.4679983","FpDensityMorgan1":"0.942307692","FpDensityMorgan2":"1.673076923","FpDensityMorgan3":"2.384615385","FractionCSP3":"0.692307692","H2O_3DPSA":"131.0","HELM":"PEPTIDE1193{L.[Mono39].[meL].[Nle].[dP].[Pr_Gly]}$PEPTIDE1193,PEPTIDE1193,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1193{<a 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'Mono39', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[0.8193999999999995, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Mono40/\">[Mono40]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Bn_Gly/\">[Bn_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'Bn_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[1.0159999999999998, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Mono41/\">[Mono41]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1196,PEPTIDE1196,1:R1-6:R2$$$","HallKierAlpha":"-3.71","HeavyAtomCount":"52","HeavyAtomMolWt":"666.46","ID":"1196","Ipc":"5.12e+37","Kappa1":"8.124797678","Kappa2":"20.5095716","Kappa3":"11.90929838","LabuteASA":"401.693359","MDCK":"","MaxAbsEStateIndex":"16.65065272","MaxAbsPartialCharge":"0.342747897","MaxEStateIndex":"16.65065272","MaxPartialCharge":"0.245345021","MinAbsEStateIndex":"1.778193664","MinAbsPartialCharge":"0.245345021","MinEStateIndex":"-7.211458665","MinPartialCharge":"-0.342747897","MolLogP":"2.1497","MolMR":"197.4714","MolWt":"731.98","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"294","Original_Name_in_Source_Literature":"1.2-23","PAMPA":"-6.54","PC1":"3.38107336","PC2":"-1.592362629","PEOE_VSA1":"35.11917536","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"53.85720251","PEOE_VSA7":"62.77131458","PEOE_VSA8":"121.2247708","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-6.54","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"88.79","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCN2CCCC2=O)C(=O)[C@H](CC(C)C)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"122.7432335","SMR_VSA10":"41.35025811","SMR_VSA2":"0.0","SMR_VSA3":"35.11917536","SMR_VSA4":"11.78791537","SMR_VSA5":"135.2850965","SMR_VSA6":"52.45384469","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'Mono41', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[0.8193999999999995, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 40.620000000000005, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1197,PEPTIDE1197,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"53","HeavyAtomMolWt":"672.487","ID":"1197","Ipc":"6.89e+36","Kappa1":"8.405063884","Kappa2":"20.48284208","Kappa3":"11.76343684","LabuteASA":"406.3293006","MDCK":"","MaxAbsEStateIndex":"16.91837254","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.91837254","MaxPartialCharge":"0.245470842","MinAbsEStateIndex":"1.833118964","MinAbsPartialCharge":"0.245470842","MinEStateIndex":"-7.166407932","MinPartialCharge":"-0.342506689","MolLogP":"3.9141","MolMR":"204.3064","MolWt":"736.999","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"294","Original_Name_in_Source_Literature":"1.2-24","PAMPA":"-6.23","PC1":"3.840115331","PC2":"0.204760125","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"89.48428651","PEOE_VSA7":"61.96184117","PEOE_VSA8":"100.0065001","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-6.23","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"10.54","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"116.5779377","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"134.3271621","SMR_VSA6":"39.46012532","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 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href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1199,PEPTIDE1199,1:R1-6:R2$$$","HallKierAlpha":"-4.81","HeavyAtomCount":"54","HeavyAtomMolWt":"686.494","ID":"1199","Ipc":"1.08e+35","Kappa1":"9.239728598","Kappa2":"20.59220236","Kappa3":"11.59330545","LabuteASA":"402.7623109","MDCK":"","MaxAbsEStateIndex":"16.67700154","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.67700154","MaxPartialCharge":"0.245471972","MinAbsEStateIndex":"1.636212841","MinAbsPartialCharge":"0.245471972","MinEStateIndex":"-7.001775103","MinPartialCharge":"-0.342506689","MolLogP":"2.9715","MolMR":"205.6724","MolWt":"745.966","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"294","Original_Name_in_Source_Literature":"1.2-26","PAMPA":"-5.58","PC1":"5.179391129","PC2":"2.069479241","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"76.40793052","PEOE_VSA7":"61.30082878","PEOE_VSA8":"100.0154635","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-5.58","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"67.28","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"109.724145","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"5.893957685","SMR_VSA5":"108.8354625","SMR_VSA6":"39.46012532","SMR_VSA7":"65.76962436","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[1.0159999999999998, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"123.558391","SlogP_VSA3":"41.51307291","SlogP_VSA4":"5.893957685","SlogP_VSA5":"161.2781835","SlogP_VSA6":"54.64272138","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1199","TPSA":"152.33","T_PAMPA":"27.57","VSA_EState1":"518.0550537","VSA_EState10":"0.0","VSA_EState2":"91.02123749","VSA_EState3":"-5.127333525","VSA_EState4":"-5.060646359","VSA_EState5":"-32.45878852","VSA_EState6":"-41.19341986","VSA_EState7":"-56.63226686","VSA_EState8":"-58.27050273","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"1","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"5","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"1","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.339179913"},"row_index":65,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1200,PEPTIDE1200,1:R1-6:R2$$$","HallKierAlpha":"-4.52","HeavyAtomCount":"54","HeavyAtomMolWt":"688.486","ID":"1200","Ipc":"2.1699999999999998e+35","Kappa1":"9.191878982","Kappa2":"20.24164186","Kappa3":"11.01966417","LabuteASA":"404.050691","MDCK":"","MaxAbsEStateIndex":"16.59425","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.59425","MaxPartialCharge":"0.245541622","MinAbsEStateIndex":"1.437000334","MinAbsPartialCharge":"0.245541622","MinEStateIndex":"-7.014329917","MinPartialCharge":"-0.38285076","MolLogP":"3.1334","MolMR":"207.1134","MolWt":"748.966","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"296","Original_Name_in_Source_Literature":"1.2-27","PAMPA":"-5.34","PC1":"4.770724198","PC2":"1.135014377","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"82.45034923","PEOE_VSA7":"54.09448211","PEOE_VSA8":"89.22459134","PEOE_VSA9":"49.70939285","PSA":"","Permeability":"-5.34","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"15.17","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.8317665","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"102.4625376","SMR_VSA6":"53.05706302","SMR_VSA7":"47.86038245","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[2.1692, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"132.1713502","SlogP_VSA3":"39.87701096","SlogP_VSA4":"5.893957685","SlogP_VSA5":"157.0854905","SlogP_VSA6":"42.29693095","SlogP_VSA7":"2.823684157","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1200","TPSA":"148.67","T_PAMPA":"43.33","VSA_EState1":"527.8160636","VSA_EState10":"0.0","VSA_EState2":"87.66450336","VSA_EState3":"-8.347460059","VSA_EState4":"-2.680591955","VSA_EState5":"-32.64123216","VSA_EState6":"-39.84683227","VSA_EState7":"-47.53001348","VSA_EState8":"-64.23023984","VSA_EState9":"-4.78753056","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"1","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.339143618"},"row_index":66,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono39/\">[Mono39]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1202,PEPTIDE1202,1:R1-6:R2$$$","HallKierAlpha":"-4.94","HeavyAtomCount":"55","HeavyAtomMolWt":"700.497","ID":"1202","Ipc":"2.41e+36","Kappa1":"9.426011619","Kappa2":"21.22930326","Kappa3":"12.28065245","LabuteASA":"410.0611786","MDCK":"","MaxAbsEStateIndex":"16.65596265","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"16.65596265","MaxPartialCharge":"0.245580677","MinAbsEStateIndex":"1.525216728","MinAbsPartialCharge":"0.245580677","MinEStateIndex":"-7.022503366","MinPartialCharge":"-0.491752534","MolLogP":"3.4128","MolMR":"209.6684","MolWt":"760.977","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"300","Original_Name_in_Source_Literature":"1.2-29","PAMPA":"-6.05","PC1":"4.541116393","PC2":"1.105997998","PEOE_VSA1":"34.95612858","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"88.49276793","PEOE_VSA7":"55.4068711","PEOE_VSA8":"75.68977919","PEOE_VSA9":"49.64726729","PSA":"","Permeability":"-6.05","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"10.02","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.8317665","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"102.4625376","SMR_VSA6":"46.01911056","SMR_VSA7":"65.98763857","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono39', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[1.0159999999999998, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1203,PEPTIDE1203,1:R1-6:R2$$$","HallKierAlpha":"-4.48","HeavyAtomCount":"55","HeavyAtomMolWt":"696.509","ID":"1203","Ipc":"2.12e+38","Kappa1":"8.970177737","Kappa2":"20.99309775","Kappa3":"11.75834273","LabuteASA":"417.286912","MDCK":"","MaxAbsEStateIndex":"16.87105048","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.87105048","MaxPartialCharge":"0.245461164","MinAbsEStateIndex":"1.480096163","MinAbsPartialCharge":"0.245461164","MinEStateIndex":"-7.127241466","MinPartialCharge":"-0.342506689","MolLogP":"4.6772","MolMR":"214.7624","MolWt":"761.021","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"302","Original_Name_in_Source_Literature":"1.2-30","PAMPA":"-7.2","PC1":"4.458127172","PC2":"1.731502479","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"102.0480911","PEOE_VSA7":"60.46740701","PEOE_VSA8":"97.26498299","PEOE_VSA9":"33.55509771","PSA":"","Permeability":"-7.2","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"11.03","R_RRCK":"","RingCount":"4","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CCC)CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C1=O","SMR_VSA1":"116.5779377","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"128.4332044","SMR_VSA6":"39.46012532","SMR_VSA7":"47.86038245","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[2.1692, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"118.5744125","SlogP_VSA3":"35.14014801","SlogP_VSA4":"5.893957685","SlogP_VSA5":"188.5391916","SlogP_VSA6":"42.29693095","SlogP_VSA7":"2.823684157","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1203","TPSA":"139.44","T_PAMPA":"0.8","VSA_EState1":"561.6450403","VSA_EState10":"0.0","VSA_EState2":"88.21197114","VSA_EState3":"-8.615553607","VSA_EState4":"-2.77288486","VSA_EState5":"-33.30986539","VSA_EState6":"-40.67722487","VSA_EState7":"-65.45704736","VSA_EState8":"-64.60776868","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.284749834"},"row_index":69,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono40/\">[Mono40]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1206,PEPTIDE1206,1:R1-6:R2$$$","HallKierAlpha":"-5.26","HeavyAtomCount":"57","HeavyAtomMolWt":"720.531","ID":"1206","Ipc":"2.61e+37","Kappa1":"9.943983479","Kappa2":"20.2474905","Kappa3":"11.20028375","LabuteASA":"421.2643558","MDCK":"","MaxAbsEStateIndex":"16.92429378","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.92429378","MaxPartialCharge":"0.24576311","MinAbsEStateIndex":"1.423943469","MinAbsPartialCharge":"0.24576311","MinEStateIndex":"-6.984049462","MinPartialCharge":"-0.342506689","MolLogP":"4.6872","MolMR":"220.5164","MolWt":"781.011","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"306","Original_Name_in_Source_Literature":"1.2-33","PAMPA":"-6.74","PC1":"4.964432562","PC2":"2.835408292","PEOE_VSA1":"30.21926563","PEOE_VSA10":"30.56842956","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"112.6624428","PEOE_VSA7":"59.6579336","PEOE_VSA8":"82.18663888","PEOE_VSA9":"36.65354792","PSA":"","Permeability":"-6.74","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"18.71","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"111.0949035","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"108.9593972","SMR_VSA6":"32.96326564","SMR_VSA7":"83.63592748","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[2.1692, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"112.0775528","SlogP_VSA3":"41.63700769","SlogP_VSA4":"5.893957685","SlogP_VSA5":"162.648942","SlogP_VSA6":"72.50902449","SlogP_VSA7":"2.823684157","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1206","TPSA":"139.44","T_PAMPA":"2.23","VSA_EState1":"531.4480466","VSA_EState10":"0.0","VSA_EState2":"89.1001079","VSA_EState3":"-8.200274646","VSA_EState4":"-5.282196818","VSA_EState5":"-32.29604882","VSA_EState6":"-50.03401531","VSA_EState7":"-47.41830341","VSA_EState8":"-57.90064882","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"3","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.28988426"},"row_index":72,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.28e-16","BCUT2D_CHGLO":"-2.818925565","BCUT2D_LOGPHI":"-2.31e-16","BCUT2D_LOGPLOW":"-2.86713568","BCUT2D_MRHI":"-4.7e-17","BCUT2D_MRLOW":"-1.169206932","BCUT2D_MWHI":"5.73e-16","BCUT2D_MWLOW":"-0.249290866","BalabanJ":"2.611817754","BertzCT":"4638.910791","CHCl3_3DPSA":"101.0","Caco2":"","Chi0":"99.20170592","Chi0n":"93.63277132","Chi0v":"27.63277132","Chi1":"52.98439799","Chi1n":"47.44688083","Chi1v":"14.55245364","Chi2n":"9.724607156","Chi2v":"9.724607156","Chi3n":"6.131595664","Chi3v":"6.131595664","Chi4n":"3.864956193","Chi4v":"3.864956193","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"309.8703776","EState_VSA10":"27.49733817","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"63.05489358","ExactMolWt":"786.5043838","FpDensityMorgan1":"0.894736842","FpDensityMorgan2":"1.684210526","FpDensityMorgan3":"2.438596491","FractionCSP3":"0.644444444","H2O_3DPSA":"100.0","HELM":"PEPTIDE1207{[Nal].[cHexCH2_Gly].[meL].[Nle].[dP].[Pr_Gly]}$PEPTIDE1207,PEPTIDE1207,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1207{<a href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1207,PEPTIDE1207,1:R1-6:R2$$$","HallKierAlpha":"-4.48","HeavyAtomCount":"57","HeavyAtomMolWt":"720.531","ID":"1207","Ipc":"2.47e+40","Kappa1":"9.286722103","Kappa2":"20.79456287","Kappa3":"11.56480527","LabuteASA":"431.8209061","MDCK":"","MaxAbsEStateIndex":"17.21200538","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.21200538","MaxPartialCharge":"0.245470845","MinAbsEStateIndex":"1.506403365","MinAbsPartialCharge":"0.245470845","MinEStateIndex":"-7.205248573","MinPartialCharge":"-0.342506689","MolLogP":"5.0673","MolMR":"221.8124","MolWt":"787.059","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"312","Original_Name_in_Source_Literature":"1.2-34","PAMPA":"-7.24","PC1":"3.452361995","PC2":"1.579388804","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"101.5691239","PEOE_VSA7":"72.7342896","PEOE_VSA8":"100.0065001","PEOE_VSA9":"33.55509771","PSA":"","Permeability":"-7.24","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"21.14","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"119.3194549","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"134.3271621","SMR_VSA6":"39.46012532","SMR_VSA7":"47.86038245","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[2.1692, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[2.1692, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1210,PEPTIDE1210,1:R1-6:R2$$$","HallKierAlpha":"-5.26","HeavyAtomCount":"59","HeavyAtomMolWt":"744.553","ID":"1210","Ipc":"1.45e+40","Kappa1":"10.08582244","Kappa2":"21.65785711","Kappa3":"12.14401903","LabuteASA":"439.614122","MDCK":"","MaxAbsEStateIndex":"17.09372814","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.09372814","MaxPartialCharge":"0.245461342","MinAbsEStateIndex":"1.474779519","MinAbsPartialCharge":"0.245461342","MinEStateIndex":"-7.11878035","MinPartialCharge":"-0.342506689","MolLogP":"5.1198","MolMR":"230.0004","MolWt":"809.065","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"318","Original_Name_in_Source_Literature":"1.2-37","PAMPA":"-7.44","PC1":"4.240114823","PC2":"2.929791787","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"112.6624428","PEOE_VSA7":"72.40378341","PEOE_VSA8":"90.41119021","PEOE_VSA9":"40.40889049","PSA":"","Permeability":"-7.44","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"19.1","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"116.5779377","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"115.2083874","SMR_VSA6":"39.46012532","SMR_VSA7":"83.63592748","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'PhPr_Gly', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[2.1692, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1211,PEPTIDE1211,1:R1-6:R2$$$","HallKierAlpha":"-5.46","HeavyAtomCount":"59","HeavyAtomMolWt":"748.541","ID":"1211","Ipc":"3.1899999999999997e+39","Kappa1":"10.34265411","Kappa2":"21.51570823","Kappa3":"12.0483164","LabuteASA":"435.5527841","MDCK":"","MaxAbsEStateIndex":"16.94959549","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"16.94959549","MaxPartialCharge":"0.24558068","MinAbsEStateIndex":"1.454079523","MinAbsPartialCharge":"0.24558068","MinEStateIndex":"-7.061344008","MinPartialCharge":"-0.491752534","MolLogP":"4.566","MolMR":"227.1744","MolWt":"811.037","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"318","Original_Name_in_Source_Literature":"1.2-38","PAMPA":"-7.29","PC1":"4.004681277","PC2":"2.404360464","PEOE_VSA1":"34.95612858","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"100.5776053","PEOE_VSA7":"66.17931953","PEOE_VSA8":"75.68977919","PEOE_VSA9":"52.3887844","PSA":"","Permeability":"-7.29","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"20.86","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"118.5732836","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"102.4625376","SMR_VSA6":"46.01911056","SMR_VSA7":"78.07247598","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono39', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[2.1692, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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'Mono40', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[2.1692, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 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href=\"/monomers/Pr_Gly/\">[Pr_Gly]</a>}$PEPTIDE1213,PEPTIDE1213,1:R1-6:R2$$$","HallKierAlpha":"-5.01","HeavyAtomCount":"59","HeavyAtomMolWt":"750.537","ID":"1213","Ipc":"6.79e+40","Kappa1":"10.02216535","Kappa2":"21.30648367","Kappa3":"11.81399713","LabuteASA":"440.3372914","MDCK":"","MaxAbsEStateIndex":"17.07386164","MaxAbsPartialCharge":"0.342621218","MaxEStateIndex":"17.07386164","MaxPartialCharge":"0.245462231","MinAbsEStateIndex":"1.504986457","MinAbsPartialCharge":"0.245462231","MinEStateIndex":"-7.186362984","MinPartialCharge":"-0.342621218","MolLogP":"3.4995","MolMR":"225.6684","MolWt":"816.057","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"322","Original_Name_in_Source_Literature":"1.2-40","PAMPA":"-5.76","PC1":"3.57627576","PC2":"1.246485295","PEOE_VSA1":"35.11917536","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"82.45034923","PEOE_VSA7":"66.84033192","PEOE_VSA8":"118.0023858","PEOE_VSA9":"33.55509771","PSA":"","Permeability":"-5.76","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"49.35","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCN2CCCC2=O)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"122.7432335","SMR_VSA10":"52.12270653","SMR_VSA2":"0.0","SMR_VSA3":"35.11917536","SMR_VSA4":"5.893957685","SMR_VSA5":"121.5813123","SMR_VSA6":"52.45384469","SMR_VSA7":"47.86038245","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono41', 'meL', 'Nle', 'dP', 'Pr_Gly']","Sequence_LogP":"[2.1692, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.5271000000000001]","Sequence_TPSA":"[29.1, 40.620000000000005, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"142.3752213","SlogP_VSA3":"39.93468519","SlogP_VSA4":"5.893957685","SlogP_VSA5":"183.058058","SlogP_VSA6":"42.29693095","SlogP_VSA7":"2.823684157","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1213","TPSA":"159.75","T_PAMPA":"19.5","VSA_EState1":"575.1062986","VSA_EState10":"0.0","VSA_EState2":"101.1550866","VSA_EState3":"-8.745461402","VSA_EState4":"-2.817711918","VSA_EState5":"-36.80144793","VSA_EState6":"-41.11649621","VSA_EState7":"-64.25000456","VSA_EState8":"-71.19692985","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"7","fr_C_O_noCOO":"7","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"5","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"1","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"7","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.313373317"},"row_index":79,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1214,PEPTIDE1214,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"45","HeavyAtomMolWt":"580.387","ID":"1214","Ipc":"7.550000000000001e+28","Kappa1":"7.120735183","Kappa2":"18.05780495","Kappa3":"10.96710267","LabuteASA":"347.0569924","MDCK":"","MaxAbsEStateIndex":"16.15608952","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.15608952","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"2.341529655","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-6.902797862","MinPartialCharge":"-0.38285076","MolLogP":"1.0034","MolMR":"169.6824","MolWt":"636.835","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"256","Original_Name_in_Source_Literature":"1.3-01","PAMPA":"-6.08","PC1":"5.054589058","PC2":"-2.196497473","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"47.00531039","PEOE_VSA7":"44.13150709","PEOE_VSA8":"86.9639421","PEOE_VSA9":"40.11408295","PSA":"","Permeability":"-6.08","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"93.59","R_RRCK":"","RingCount":"2","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](C)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"110.3487322","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"103.420472","SMR_VSA6":"53.05706302","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[-0.2068000000000003, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1215,PEPTIDE1215,1:R1-6:R2$$$","HallKierAlpha":"-3.18","HeavyAtomCount":"46","HeavyAtomMolWt":"588.41","ID":"1215","Ipc":"9.09e+30","Kappa1":"6.94788579","Kappa2":"18.83810432","Kappa3":"11.25921083","LabuteASA":"360.2932134","MDCK":"","MaxAbsEStateIndex":"16.22991546","MaxAbsPartialCharge":"0.343043683","MaxEStateIndex":"16.22991546","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"2.377317873","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-7.015709411","MinPartialCharge":"-0.343043683","MolLogP":"2.5472","MolMR":"177.3314","MolWt":"648.89","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"262","Original_Name_in_Source_Literature":"1.3-02","PAMPA":"-4.9","PC1":"4.817700282","PC2":"-1.631633818","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"66.60305231","PEOE_VSA7":"50.50443199","PEOE_VSA8":"95.00433376","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-4.9","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"70.99","R_RRCK":"","RingCount":"2","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC(C)C)CC(=O)N[C@@H](C)C1=O","SMR_VSA1":"111.0949035","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"129.3911388","SMR_VSA6":"39.46012532","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1217,PEPTIDE1217,1:R1-6:R2$$$","HallKierAlpha":"-3.18","HeavyAtomCount":"48","HeavyAtomMolWt":"612.432","ID":"1217","Ipc":"8.12e+33","Kappa1":"7.267736206","Kappa2":"18.54598667","Kappa3":"10.9180296","LabuteASA":"374.8272075","MDCK":"","MaxAbsEStateIndex":"16.31181498","MaxAbsPartialCharge":"0.343043682","MaxEStateIndex":"16.31181498","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"2.396862155","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-7.093716518","MinPartialCharge":"-0.343043682","MolLogP":"2.9373","MolMR":"184.3814","MolWt":"674.928","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"272","Original_Name_in_Source_Literature":"1.3-04","PAMPA":"-4.96","PC1":"3.934293412","PC2":"-1.595358705","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"66.12408509","PEOE_VSA7":"62.77131458","PEOE_VSA8":"97.74585087","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-4.96","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"36.77","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](C)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"113.8364206","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"17.68187306","SMR_VSA5":"135.2850965","SMR_VSA6":"39.46012532","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'MeOEt_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[0.8193999999999995, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1220,PEPTIDE1220,1:R1-6:R2$$$","HallKierAlpha":"-4.03","HeavyAtomCount":"49","HeavyAtomMolWt":"626.439","ID":"1220","Ipc":"1.15e+31","Kappa1":"8.043030783","Kappa2":"18.65495496","Kappa3":"11.25102848","LabuteASA":"371.2602178","MDCK":"","MaxAbsEStateIndex":"16.26018152","MaxAbsPartialCharge":"0.343043682","MaxEStateIndex":"16.26018152","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"1.595438537","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-6.929083689","MinPartialCharge":"-0.343043682","MolLogP":"1.9947","MolMR":"185.7474","MolWt":"683.895","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"1","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"272","Original_Name_in_Source_Literature":"1.3-07","PAMPA":"-6.54","PC1":"5.689321283","PC2":"0.38087342","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"53.0477291","PEOE_VSA7":"62.11030219","PEOE_VSA8":"97.75481429","PEOE_VSA9":"29.44282204","PSA":"","Permeability":"-6.54","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"92.07","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](C)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"106.9826279","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"11.78791537","SMR_VSA5":"109.7933969","SMR_VSA6":"39.46012532","SMR_VSA7":"29.99407933","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"123.558391","SlogP_VSA3":"35.14014801","SlogP_VSA4":"11.78791537","SlogP_VSA5":"160.3040742","SlogP_VSA6":"24.43062784","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1220","TPSA":"152.33","T_PAMPA":"3.53","VSA_EState1":"492.5042637","VSA_EState10":"0.0","VSA_EState2":"88.91118827","VSA_EState3":"-5.111013427","VSA_EState4":"-2.353742069","VSA_EState5":"-37.96965361","VSA_EState6":"-30.38905904","VSA_EState7":"-44.90566214","VSA_EState8":"-69.10298833","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"1","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"5","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"0","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"1","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.382866024"},"row_index":86,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-3.02e-16","BCUT2D_CHGLO":"-2.72140056","BCUT2D_LOGPHI":"-2.82e-16","BCUT2D_LOGPLOW":"-2.863708609","BCUT2D_MRHI":"-1.54e-16","BCUT2D_MRLOW":"-1.137499526","BCUT2D_MWHI":"-2.25e-16","BCUT2D_MWLOW":"-0.249292247","BalabanJ":"4.806059431","BertzCT":"3742.25153","CHCl3_3DPSA":"113.0","Caco2":"","Chi0":"94.42820323","Chi0n":"89.63277132","Chi0v":"23.63277132","Chi1":"48.73760431","Chi1n":"44.69688083","Chi1v":"11.80245364","Chi2n":"7.724607156","Chi2v":"7.724607156","Chi3n":"4.506595664","Chi3v":"4.506595664","Chi4n":"2.774505343","Chi4v":"2.774505343","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"265.4202982","EState_VSA10":"20.60246186","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"69.94976989","ExactMolWt":"690.5043838","FpDensityMorgan1":"0.857142857","FpDensityMorgan2":"1.571428571","FpDensityMorgan3":"2.265306122","FractionCSP3":"0.837837838","H2O_3DPSA":"109.0","HELM":"PEPTIDE1221{L.[pentyl_Gly].[meL].[Nle].[dP].[iBu_Gly]}$PEPTIDE1221,PEPTIDE1221,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1221{<a href=\"/monomers/L/\">L</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1221,PEPTIDE1221,1:R1-6:R2$$$","HallKierAlpha":"-3.18","HeavyAtomCount":"49","HeavyAtomMolWt":"624.443","ID":"1221","Ipc":"1.52e+36","Kappa1":"7.23147016","Kappa2":"20.48323489","Kappa3":"12.89857494","LabuteASA":"387.8178628","MDCK":"","MaxAbsEStateIndex":"16.53492833","MaxAbsPartialCharge":"0.342747895","MaxEStateIndex":"16.53492833","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"2.477214568","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-7.192863528","MinPartialCharge":"-0.342747895","MolLogP":"3.5734","MolMR":"191.1124","MolWt":"690.971","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"22","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"280","Original_Name_in_Source_Literature":"1.3-08","PAMPA":"-5.54","PC1":"3.604695277","PC2":"-1.442442117","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"80.30683654","PEOE_VSA7":"55.91942246","PEOE_VSA8":"103.2288851","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-5.54","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"11.57","R_RRCK":"","RingCount":"2","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC(C)C)CC(=O)N[C@@H](CC(C)C)C1=O","SMR_VSA1":"119.3194549","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"17.68187306","SMR_VSA5":"142.6159558","SMR_VSA6":"39.46012532","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[0.8193999999999995, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1222,PEPTIDE1222,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"50","HeavyAtomMolWt":"636.454","ID":"1222","Ipc":"3.1e+33","Kappa1":"8.001343729","Kappa2":"19.43681008","Kappa3":"11.55100437","LabuteASA":"382.6204234","MDCK":"","MaxAbsEStateIndex":"16.30418596","MaxAbsPartialCharge":"0.343043683","MaxEStateIndex":"16.30418596","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"1.584774412","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-7.007248295","MinPartialCharge":"-0.343043683","MolLogP":"2.9898","MolMR":"192.5694","MolWt":"696.934","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"278","Original_Name_in_Source_Literature":"1.3-09","PAMPA":"-4.96","PC1":"5.300752851","PC2":"-0.066427175","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"77.21740393","PEOE_VSA7":"62.44080839","PEOE_VSA8":"88.15054098","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-4.96","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"46.49","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](C)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"111.0949035","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"116.1663218","SMR_VSA6":"39.46012532","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 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href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1224,PEPTIDE1224,1:R1-6:R2$$$","HallKierAlpha":"-3.97","HeavyAtomCount":"50","HeavyAtomMolWt":"640.446","ID":"1224","Ipc":"1.3200000000000001e+34","Kappa1":"7.997534397","Kappa2":"18.86246192","Kappa3":"11.27579105","LabuteASA":"381.592599","MDCK":"","MaxAbsEStateIndex":"16.29762214","MaxAbsPartialCharge":"0.343043683","MaxEStateIndex":"16.29762214","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"0.694060031","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-7.010424246","MinPartialCharge":"-0.343043683","MolLogP":"1.7233","MolMR":"189.3354","MolWt":"700.926","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"1","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"280","Original_Name_in_Source_Literature":"1.3-11","PAMPA":"-6.43","PC1":"5.612180515","PC2":"0.725552384","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.44902604","PEOE_VSA3":"0.0","PEOE_VSA4":"5.098681808","PEOE_VSA5":"0.0","PEOE_VSA6":"47.00531039","PEOE_VSA7":"62.44080839","PEOE_VSA8":"105.4115388","PEOE_VSA9":"32.87420014","PSA":"","Permeability":"-6.43","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"95.11","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2cnn(C)c2)C(=O)[C@H](C)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"111.0949035","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"39.99975037","SMR_VSA4":"18.76374227","SMR_VSA5":"116.1663218","SMR_VSA6":"39.46012532","SMR_VSA7":"17.90924191","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'Mono40', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 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href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1225,PEPTIDE1225,1:R1-6:R2$$$","HallKierAlpha":"-3.71","HeavyAtomCount":"50","HeavyAtomMolWt":"642.438","ID":"1225","Ipc":"2.56e+33","Kappa1":"7.949338128","Kappa2":"19.05019633","Kappa3":"11.1470491","LabuteASA":"383.3435928","MDCK":"","MaxAbsEStateIndex":"16.29680589","MaxAbsPartialCharge":"0.343043683","MaxEStateIndex":"16.29680589","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"1.681596977","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-7.074830929","MinPartialCharge":"-0.343043683","MolLogP":"1.3695","MolMR":"188.2374","MolWt":"703.926","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"282","Original_Name_in_Source_Literature":"1.3-12","PAMPA":"-7.62","PC1":"4.254797586","PC2":"-1.767229728","PEOE_VSA1":"35.11917536","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"47.00531039","PEOE_VSA7":"56.8773569","PEOE_VSA8":"115.7417366","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-7.62","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"99.01","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCN2CCCC2=O)C(=O)[C@H](C)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"117.2601993","SMR_VSA10":"41.35025811","SMR_VSA2":"0.0","SMR_VSA3":"35.11917536","SMR_VSA4":"11.78791537","SMR_VSA5":"122.5392467","SMR_VSA6":"52.45384469","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 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20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"132.1713502","SlogP_VSA3":"39.87701096","SlogP_VSA4":"11.78791537","SlogP_VSA5":"157.5644577","SlogP_VSA6":"30.21209354","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1227","TPSA":"148.67","T_PAMPA":"66.17","VSA_EState1":"524.1699163","VSA_EState10":"0.0","VSA_EState2":"87.14360069","VSA_EState3":"-5.244530607","VSA_EState4":"-2.680857521","VSA_EState5":"-38.75170031","VSA_EState6":"-37.55265555","VSA_EState7":"-42.06394299","VSA_EState8":"-70.2402727","VSA_EState9":"-4.779557266","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"1","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.33789785"},"row_index":93,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1228,PEPTIDE1228,1:R1-6:R2$$$","HallKierAlpha":"-3.18","HeavyAtomCount":"51","HeavyAtomMolWt":"648.465","ID":"1228","Ipc":"2.1e+38","Kappa1":"7.551519596","Kappa2":"20.1642415","Kappa3":"12.47772905","LabuteASA":"402.3518568","MDCK":"","MaxAbsEStateIndex":"16.87588323","MaxAbsPartialCharge":"0.342747894","MaxEStateIndex":"16.87588323","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"2.496758849","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-7.270870635","MinPartialCharge":"-0.342747894","MolLogP":"3.9635","MolMR":"198.1624","MolWt":"717.009","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"290","Original_Name_in_Source_Literature":"1.3-15","PAMPA":"-6.2","PC1":"2.672041359","PC2":"-1.414302855","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"79.82786933","PEOE_VSA7":"68.18630505","PEOE_VSA8":"105.9704022","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-6.2","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"11.18","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](CC(C)C)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"122.060972","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"23.57583074","SMR_VSA5":"148.5099135","SMR_VSA6":"39.46012532","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[0.8193999999999995, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1231,PEPTIDE1231,1:R1-6:R2$$$","HallKierAlpha":"-4.03","HeavyAtomCount":"52","HeavyAtomMolWt":"662.472","ID":"1231","Ipc":"2.79e+36","Kappa1":"8.292482837","Kappa2":"20.27429773","Kappa3":"12.29083359","LabuteASA":"398.7848671","MDCK":"","MaxAbsEStateIndex":"16.63451223","MaxAbsPartialCharge":"0.342747894","MaxEStateIndex":"16.63451223","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"1.700151108","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-7.106237806","MinPartialCharge":"-0.342747894","MolLogP":"3.0209","MolMR":"199.5284","MolWt":"725.976","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"1","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"290","Original_Name_in_Source_Literature":"1.3-18","PAMPA":"-5.29","PC1":"4.457800913","PC2":"0.507278473","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"66.75151333","PEOE_VSA7":"67.52529266","PEOE_VSA8":"105.9793656","PEOE_VSA9":"29.44282204","PSA":"","Permeability":"-5.29","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"79.75","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.2071792","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"17.68187306","SMR_VSA5":"123.0182139","SMR_VSA6":"39.46012532","SMR_VSA7":"29.99407933","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[0.8193999999999995, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1232,PEPTIDE1232,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"53","HeavyAtomMolWt":"672.487","ID":"1232","Ipc":"1.77e+38","Kappa1":"8.262050263","Kappa2":"21.06355734","Kappa3":"13.13752516","LabuteASA":"410.1450727","MDCK":"","MaxAbsEStateIndex":"16.75760599","MaxAbsPartialCharge":"0.342747895","MaxEStateIndex":"16.75760599","MaxPartialCharge":"0.245354537","MinAbsEStateIndex":"1.675566461","MinAbsPartialCharge":"0.245354537","MinEStateIndex":"-7.184402412","MinPartialCharge":"-0.342747895","MolLogP":"4.016","MolMR":"206.3504","MolWt":"739.015","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"21","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"296","Original_Name_in_Source_Literature":"1.3-19","PAMPA":"-6.02","PC1":"4.049261627","PC2":"0.123443336","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"90.92118816","PEOE_VSA7":"67.85579886","PEOE_VSA8":"96.37509232","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-6.02","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"10.71","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"119.3194549","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"17.68187306","SMR_VSA5":"129.3911388","SMR_VSA6":"39.46012532","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 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'Mono40', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[0.8193999999999995, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 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'Bn_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[1.0159999999999998, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1238,PEPTIDE1238,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"54","HeavyAtomMolWt":"688.486","ID":"1238","Ipc":"8.319999999999999e+36","Kappa1":"8.76981518","Kappa2":"20.6165084","Kappa3":"12.0","LabuteASA":"411.4428458","MDCK":"","MaxAbsEStateIndex":"16.92092036","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.92092036","MaxPartialCharge":"0.245470864","MinAbsEStateIndex":"1.841250027","MinAbsPartialCharge":"0.245470864","MinEStateIndex":"-7.167450841","MinPartialCharge":"-0.381428301","MolLogP":"3.0064","MolMR":"205.8214","MolWt":"752.998","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"300","Original_Name_in_Source_Literature":"1.3-25","PAMPA":"-5.07","PC1":"3.632975752","PC2":"-0.622547868","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"77.21740393","PEOE_VSA7":"61.48287396","PEOE_VSA8":"107.6414364","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-5.07","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"44.02","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"121.3148007","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"17.68187306","SMR_VSA5":"115.6873546","SMR_VSA6":"52.57809581","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono38', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1239,PEPTIDE1239,1:R1-6:R2$$$","HallKierAlpha":"-4.81","HeavyAtomCount":"55","HeavyAtomMolWt":"698.505","ID":"1239","Ipc":"4.0199999999999996e+36","Kappa1":"9.313538086","Kappa2":"20.75391019","Kappa3":"12.34716306","LabuteASA":"411.937194","MDCK":"","MaxAbsEStateIndex":"16.76408832","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.76408832","MaxPartialCharge":"0.245471972","MinAbsEStateIndex":"1.65616648","MinAbsPartialCharge":"0.245471972","MinEStateIndex":"-7.042301484","MinPartialCharge":"-0.342506689","MolLogP":"3.2175","MolMR":"210.2194","MolWt":"759.993","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"300","Original_Name_in_Source_Literature":"1.3-26","PAMPA":"-5.35","PC1":"4.824773076","PC2":"2.044034044","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"83.25982264","PEOE_VSA7":"60.82186157","PEOE_VSA8":"102.7569806","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-5.35","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"51.69","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"112.4656621","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"11.78791537","SMR_VSA5":"109.3144297","SMR_VSA6":"39.46012532","SMR_VSA7":"65.76962436","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 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'MeOEt_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[2.1692, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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'PhPr_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[1.0159999999999998, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"118.5744125","SlogP_VSA3":"41.51307291","SlogP_VSA4":"11.78791537","SlogP_VSA5":"174.9838684","SlogP_VSA6":"60.42418708","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1241","TPSA":"139.44","T_PAMPA":"3.23","VSA_EState1":"565.0360919","VSA_EState10":"0.0","VSA_EState2":"88.65355437","VSA_EState3":"-5.337733472","VSA_EState4":"-5.15086758","VSA_EState5":"-39.33960745","VSA_EState6":"-47.84468495","VSA_EState7":"-53.93456993","VSA_EState8":"-65.58218288","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.313084829"},"row_index":107,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.43e-16","BCUT2D_CHGLO":"-2.709828335","BCUT2D_LOGPHI":"-1.46e-16","BCUT2D_LOGPLOW":"-2.86498416","BCUT2D_MRHI":"2.45e-17","BCUT2D_MRLOW":"-1.134184432","BCUT2D_MWHI":"1.55e-15","BCUT2D_MWLOW":"-0.24929115","BalabanJ":"2.985034702","BertzCT":"4313.774727","CHCl3_3DPSA":"118.0","Caco2":"","Chi0":"95.06351324","Chi0n":"89.04101961","Chi0v":"27.04101961","Chi1":"51.06158381","Chi1n":"44.85512912","Chi1v":"13.96070193","Chi2n":"9.132855447","Chi2v":"9.132855447","Chi3n":"5.501492692","Chi3v":"5.501492692","Chi4n":"3.380961222","Chi4v":"3.380961222","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"298.1480251","EState_VSA10":"27.49733817","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"62.30872231","ExactMolWt":"774.4679983","FpDensityMorgan1":"0.928571429","FpDensityMorgan2":"1.660714286","FpDensityMorgan3":"2.357142857","FractionCSP3":"0.581395349","H2O_3DPSA":"115.0","HELM":"PEPTIDE1242{F.[Mono39].[meL].[Nle].[dP].[iBu_Gly]}$PEPTIDE1242,PEPTIDE1242,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1242{<a href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono39/\">[Mono39]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1242,PEPTIDE1242,1:R1-6:R2$$$","HallKierAlpha":"-4.94","HeavyAtomCount":"56","HeavyAtomMolWt":"712.508","ID":"1242","Ipc":"3.92e+37","Kappa1":"9.4994261","Kappa2":"21.38596309","Kappa3":"12.54005545","LabuteASA":"419.2360617","MDCK":"","MaxAbsEStateIndex":"16.74304943","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"16.74304943","MaxPartialCharge":"0.245580677","MinAbsEStateIndex":"1.543105147","MinAbsPartialCharge":"0.245580677","MinEStateIndex":"-7.063029747","MinPartialCharge":"-0.491752534","MolLogP":"3.6588","MolMR":"214.2154","MolWt":"775.004","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"306","Original_Name_in_Source_Literature":"1.3-29","PAMPA":"-6.33","PC1":"4.189051588","PC2":"1.079201041","PEOE_VSA1":"34.95612858","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"95.34466005","PEOE_VSA7":"54.92790388","PEOE_VSA8":"78.4312963","PEOE_VSA9":"49.64726729","PSA":"","Permeability":"-6.33","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"13.97","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"118.5732836","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"102.9415048","SMR_VSA6":"46.01911056","SMR_VSA7":"65.98763857","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono39', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[1.0159999999999998, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"15.35648966","SlogP_VSA10":"0.0","SlogP_VSA11":"5.749511833","SlogP_VSA12":"0.0","SlogP_VSA2":"125.1333977","SlogP_VSA3":"35.14014801","SlogP_VSA4":"11.78791537","SlogP_VSA5":"160.3059749","SlogP_VSA6":"60.42418708","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1242","TPSA":"148.67","T_PAMPA":"5.67","VSA_EState1":"549.266097","VSA_EState10":"0.0","VSA_EState2":"88.39624435","VSA_EState3":"-5.262815062","VSA_EState4":"-2.707118134","VSA_EState5":"-41.18342995","VSA_EState6":"-46.78317167","VSA_EState7":"-42.29317242","VSA_EState8":"-70.68263413","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"1","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.315893803"},"row_index":108,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1243,PEPTIDE1243,1:R1-6:R2$$$","HallKierAlpha":"-4.48","HeavyAtomCount":"56","HeavyAtomMolWt":"708.52","ID":"1243","Ipc":"1.54e+39","Kappa1":"9.052828481","Kappa2":"21.15800382","Kappa3":"12.0108409","LabuteASA":"426.4617952","MDCK":"","MaxAbsEStateIndex":"16.95813726","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.95813726","MaxPartialCharge":"0.245461164","MinAbsEStateIndex":"1.502491996","MinAbsPartialCharge":"0.245461164","MinEStateIndex":"-7.167767847","MinPartialCharge":"-0.342506689","MolLogP":"4.9232","MolMR":"219.3094","MolWt":"775.048","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"308","Original_Name_in_Source_Literature":"1.3-30","PAMPA":"-8.59","PC1":"4.095734361","PC2":"1.68545422","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"108.8999833","PEOE_VSA7":"59.9884398","PEOE_VSA8":"100.0065001","PEOE_VSA9":"33.55509771","PSA":"","Permeability":"-8.59","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"25.05","R_RRCK":"","RingCount":"4","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC(C)C)CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C1=O","SMR_VSA1":"119.3194549","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"128.9121716","SMR_VSA6":"39.46012532","SMR_VSA7":"47.86038245","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono41/\">[Mono41]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1245,PEPTIDE1245,1:R1-6:R2$$$","HallKierAlpha":"-4.49","HeavyAtomCount":"56","HeavyAtomMolWt":"714.504","ID":"1245","Ipc":"1.41e+39","Kappa1":"9.201058546","Kappa2":"21.15080091","Kappa3":"12.25341557","LabuteASA":"424.020569","MDCK":"","MaxAbsEStateIndex":"16.86731558","MaxAbsPartialCharge":"0.342621218","MaxEStateIndex":"16.86731558","MaxPartialCharge":"0.245462228","MinAbsEStateIndex":"1.734958513","MinAbsPartialCharge":"0.245462228","MinEStateIndex":"-7.188048724","MinPartialCharge":"-0.342621218","MolLogP":"2.5923","MolMR":"212.7094","MolWt":"780.024","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"310","Original_Name_in_Source_Literature":"1.3-32","PAMPA":"-6.03","PC1":"3.613012023","PC2":"-0.149530006","PEOE_VSA1":"35.11917536","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"77.21740393","PEOE_VSA7":"55.58891627","PEOE_VSA8":"120.7439029","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-6.03","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"84.26","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCN2CCCC2=O)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"122.7432335","SMR_VSA10":"41.35025811","SMR_VSA2":"0.0","SMR_VSA3":"35.11917536","SMR_VSA4":"11.78791537","SMR_VSA5":"122.0602795","SMR_VSA6":"52.45384469","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono41', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[1.0159999999999998, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 40.620000000000005, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Bn_Gly/\">[Bn_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[2.1692, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1248,PEPTIDE1248,1:R1-6:R2$$$","HallKierAlpha":"-4.52","HeavyAtomCount":"58","HeavyAtomMolWt":"736.53","ID":"1248","Ipc":"6.09e+40","Kappa1":"9.660193144","Kappa2":"20.94926846","Kappa3":"11.79062939","LabuteASA":"436.9344513","MDCK":"","MaxAbsEStateIndex":"17.21455319","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"17.21455319","MaxPartialCharge":"0.245470867","MinAbsEStateIndex":"1.512757532","MinAbsPartialCharge":"0.245470867","MinEStateIndex":"-7.206291483","MinPartialCharge":"-0.381428301","MolLogP":"4.1596","MolMR":"223.3274","MolWt":"803.058","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"318","Original_Name_in_Source_Literature":"1.3-35","PAMPA":"-5.53","PC1":"3.277578568","PC2":"0.752147662","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"89.30224134","PEOE_VSA7":"72.25532238","PEOE_VSA8":"107.6414364","PEOE_VSA9":"39.03813194","PSA":"","Permeability":"-5.53","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"12.84","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"124.0563178","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"17.68187306","SMR_VSA5":"115.6873546","SMR_VSA6":"52.57809581","SMR_VSA7":"47.86038245","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono38', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[2.1692, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"131.692383","SlogP_VSA3":"39.87701096","SlogP_VSA4":"17.68187306","SlogP_VSA5":"178.5348589","SlogP_VSA6":"42.29693095","SlogP_VSA7":"2.823684157","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1248","TPSA":"148.67","T_PAMPA":"30.73","VSA_EState1":"591.9255008","VSA_EState10":"0.0","VSA_EState2":"89.39225141","VSA_EState3":"-8.836821865","VSA_EState4":"-2.843118271","VSA_EState5":"-46.24926674","VSA_EState6":"-41.44810222","VSA_EState7":"-54.45857261","VSA_EState8":"-77.06520384","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.347017772"},"row_index":114,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[2.1692, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"123.558391","SlogP_VSA3":"41.51307291","SlogP_VSA4":"11.78791537","SlogP_VSA5":"167.2401849","SlogP_VSA6":"66.72755879","SlogP_VSA7":"2.823684157","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1249","TPSA":"152.33","T_PAMPA":"30.73","VSA_EState1":"560.2524407","VSA_EState10":"0.0","VSA_EState2":"92.45762824","VSA_EState3":"-8.509854347","VSA_EState4":"-5.208407434","VSA_EState5":"-39.07624151","VSA_EState6":"-44.60641688","VSA_EState7":"-51.92378194","VSA_EState8":"-65.13536686","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"1","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"5","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"1","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.275913569"},"row_index":115,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Mono40/\">[Mono40]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/iBu_Gly/\">[iBu_Gly]</a>}$PEPTIDE1252,PEPTIDE1252,1:R1-6:R2$$$","HallKierAlpha":"-5.27","HeavyAtomCount":"60","HeavyAtomMolWt":"760.556","ID":"1252","Ipc":"6.259999999999999e+41","Kappa1":"10.15587354","Kappa2":"21.30934991","Kappa3":"12.15820351","LabuteASA":"447.7611807","MDCK":"","MaxAbsEStateIndex":"17.1574633","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.1574633","MaxPartialCharge":"0.245461342","MinAbsEStateIndex":"0.748231549","MinAbsPartialCharge":"0.245461342","MinEStateIndex":"-7.162482682","MinPartialCharge":"-0.342506689","MolLogP":"4.0993","MolMR":"231.3134","MolWt":"827.084","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"1","NumAromaticRings":"3","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"326","Original_Name_in_Source_Literature":"1.3-39","PAMPA":"-5.65","PC1":"4.251342225","PC2":"3.660192656","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.44902604","PEOE_VSA3":"0.0","PEOE_VSA4":"5.098681808","PEOE_VSA5":"0.0","PEOE_VSA6":"89.30224134","PEOE_VSA7":"71.92481619","PEOE_VSA8":"110.4137051","PEOE_VSA9":"42.46951003","PSA":"","Permeability":"-5.65","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"12.5","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2cnn(C)c2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"119.3194549","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"39.99975037","SMR_VSA4":"18.76374227","SMR_VSA5":"115.6873546","SMR_VSA6":"39.46012532","SMR_VSA7":"65.76962436","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono40', 'meL', 'Nle', 'dP', 'iBu_Gly']","Sequence_LogP":"[2.1692, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.7731000000000001]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"128.3548972","SlogP_VSA3":"48.48889981","SlogP_VSA4":"11.78791537","SlogP_VSA5":"177.7253855","SlogP_VSA6":"54.64272138","SlogP_VSA7":"2.823684157","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1252","TPSA":"157.26","T_PAMPA":"23.93","VSA_EState1":"585.5375042","VSA_EState10":"0.0","VSA_EState2":"89.53028913","VSA_EState3":"-5.768467235","VSA_EState4":"-5.234602455","VSA_EState5":"-39.63278993","VSA_EState6":"-41.13664783","VSA_EState7":"-58.7676173","VSA_EState8":"-70.11100191","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"2","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"6","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"1","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.263002656"},"row_index":118,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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'Bn_Gly', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1259,PEPTIDE1259,1:R1-6:R2$$$","HallKierAlpha":"-3.26","HeavyAtomCount":"51","HeavyAtomMolWt":"656.441","ID":"1259","Ipc":"1.76e+37","Kappa1":"7.921914297","Kappa2":"21.95374543","Kappa3":"14.00268763","LabuteASA":"398.0449532","MDCK":"","MaxAbsEStateIndex":"16.45720089","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.45720089","MaxPartialCharge":"0.245346553","MinAbsEStateIndex":"2.508395532","MinAbsPartialCharge":"0.245346553","MinEStateIndex":"-7.13510715","MinPartialCharge":"-0.38285076","MolLogP":"2.1887","MolMR":"194.3304","MolWt":"722.969","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"24","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"292","Original_Name_in_Source_Literature":"1.4-06","PAMPA":"-5.05","PC1":"2.966692228","PC2":"-2.092137984","PEOE_VSA1":"39.69299154","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"47.00531039","PEOE_VSA7":"63.72924901","PEOE_VSA8":"103.1182372","PEOE_VSA9":"50.30637665","PSA":"","Permeability":"-5.05","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"70.55","R_RRCK":"","RingCount":"2","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](CC(C)C)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"128.7931808","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"129.0982319","SMR_VSA6":"59.61604827","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[0.8193999999999995, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 29.54]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"144.8103535","SlogP_VSA3":"38.24094901","SlogP_VSA4":"11.78791537","SlogP_VSA5":"186.6751916","SlogP_VSA6":"0.0","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1259","TPSA":"157.9","T_PAMPA":"66.47","VSA_EState1":"574.4861464","VSA_EState10":"0.0","VSA_EState2":"86.73622184","VSA_EState3":"-5.651991228","VSA_EState4":"0.0","VSA_EState5":"-40.1967714","VSA_EState6":"-27.92468381","VSA_EState7":"-54.99357652","VSA_EState8":"-87.81696545","VSA_EState9":"-4.888379798","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"0","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"2","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"1","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.243815528"},"row_index":125,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Bn_Gly/\">[Bn_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1266,PEPTIDE1266,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"54","HeavyAtomMolWt":"688.486","ID":"1266","Ipc":"4.2199999999999995e+36","Kappa1":"8.621804079","Kappa2":"21.77777778","Kappa3":"13.38618861","LabuteASA":"415.258618","MDCK":"","MaxAbsEStateIndex":"16.69451825","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"16.69451825","MaxPartialCharge":"0.24542719","MinAbsEStateIndex":"1.848109306","MinAbsPartialCharge":"0.24542719","MinEStateIndex":"-7.104826695","MinPartialCharge":"-0.378727819","MolLogP":"3.7425","MolMR":"207.7334","MolWt":"755.014","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"22","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"302","Original_Name_in_Source_Literature":"1.4-13","PAMPA":"-5.17","PC1":"3.785804183","PC2":"-0.242299472","PEOE_VSA1":"34.95612858","PEOE_VSA10":"30.56842956","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"77.21740393","PEOE_VSA7":"69.2927005","PEOE_VSA8":"96.08028478","PEOE_VSA9":"37.25053172","PSA":"","Permeability":"-5.17","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"11.12","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"124.0563178","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"135.5950916","SMR_VSA6":"39.52225088","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[0.8193999999999995, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1270,PEPTIDE1270,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"55","HeavyAtomMolWt":"700.497","ID":"1270","Ipc":"4.16e+40","Kappa1":"8.708421556","Kappa2":"23.15779321","Kappa3":"14.22222222","LabuteASA":"424.4335011","MDCK":"","MaxAbsEStateIndex":"16.77085104","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"16.77085104","MaxPartialCharge":"0.245461161","MinAbsEStateIndex":"1.867731857","MinAbsPartialCharge":"0.245461161","MinEStateIndex":"-7.184082377","MinPartialCharge":"-0.378727819","MolLogP":"3.9291","MolMR":"212.6704","MolWt":"769.041","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"23","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"308","Original_Name_in_Source_Literature":"1.4-17","PAMPA":"-5.47","PC1":"3.567409804","PC2":"0.058226677","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"83.11136161","PEOE_VSA7":"63.39874282","PEOE_VSA8":"107.9362439","PEOE_VSA9":"41.00587429","PSA":"","Permeability":"-5.47","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"8.7","R_RRCK":"","RingCount":"3","SMILES":"CCCCCN1CC(=O)N(C)[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","SMR_VSA1":"126.7978349","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"141.3651145","SMR_VSA6":"46.01911056","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"[['PAMPA']]","Same_Peptides_ID":"[1582]","Same_Peptides_Permeability":"[['-5.48']]","Same_Peptides_Source":"['2016_Furukawa']","Sequence":"['F', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1273,PEPTIDE1273,1:R1-6:R2$$$","HallKierAlpha":"-4.2","HeavyAtomCount":"56","HeavyAtomMolWt":"716.496","ID":"1273","Ipc":"2.08e+40","Kappa1":"9.010784591","Kappa2":"23.13181307","Kappa3":"14.38458344","LabuteASA":"429.5470463","MDCK":"","MaxAbsEStateIndex":"16.71981996","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"16.71981996","MaxPartialCharge":"0.245346553","MinAbsEStateIndex":"1.6083105","MinAbsPartialCharge":"0.245346553","MinEStateIndex":"-7.182121241","MinPartialCharge":"-0.491752534","MolLogP":"3.6213","MolMR":"214.3914","MolWt":"785.04","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"24","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"314","Original_Name_in_Source_Literature":"1.4-20","PAMPA":"-5.5","PC1":"2.811027786","PC2":"-0.426664887","PEOE_VSA1":"39.69299154","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"65.13256651","PEOE_VSA7":"75.81408643","PEOE_VSA8":"89.5834251","PEOE_VSA9":"52.9857682","PSA":"","Permeability":"-5.5","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"6.91","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"131.5346979","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"129.0982319","SMR_VSA6":"52.57809581","SMR_VSA7":"30.21209354","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'Mono39', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[0.8193999999999995, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1277,PEPTIDE1277,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"57","HeavyAtomMolWt":"724.519","ID":"1277","Ipc":"4.98e+42","Kappa1":"9.026958932","Kappa2":"22.81194131","Kappa3":"13.81655861","LabuteASA":"438.9674952","MDCK":"","MaxAbsEStateIndex":"17.11180594","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"17.11180594","MaxPartialCharge":"0.245470842","MinAbsEStateIndex":"1.902583829","MinAbsPartialCharge":"0.245470842","MinEStateIndex":"-7.262089484","MinPartialCharge":"-0.378727819","MolLogP":"4.3192","MolMR":"219.7204","MolWt":"795.079","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"318","Original_Name_in_Source_Literature":"1.4-24","PAMPA":"-6.11","PC1":"2.559465245","PC2":"-0.050437968","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"82.6323944","PEOE_VSA7":"75.66562541","PEOE_VSA8":"110.677761","PEOE_VSA9":"41.00587429","PSA":"","Permeability":"-6.11","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"8.37","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"129.539352","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"147.2590722","SMR_VSA6":"46.01911056","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"[['PAMPA']]","Same_Peptides_ID":"[1583]","Same_Peptides_Permeability":"[['-5.86']]","Same_Peptides_Source":"['2016_Furukawa']","Sequence":"['F', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1280,PEPTIDE1280,1:R1-6:R2$$$","HallKierAlpha":"-4.56","HeavyAtomCount":"58","HeavyAtomMolWt":"740.518","ID":"1280","Ipc":"1.0299999999999999e+41","Kappa1":"9.802687854","Kappa2":"22.55222693","Kappa3":"12.97291904","LabuteASA":"436.6888856","MDCK":"","MaxAbsEStateIndex":"16.7876834","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.7876834","MaxPartialCharge":"0.245541622","MinAbsEStateIndex":"1.492816917","MinAbsPartialCharge":"0.245541622","MinEStateIndex":"-7.110011469","MinPartialCharge":"-0.38285076","MolLogP":"3.5385","MolMR":"222.5274","MolWt":"807.046","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"22","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"320","Original_Name_in_Source_Literature":"1.4-27","PAMPA":"-5.26","PC1":"3.505440902","PC2":"1.045256975","PEOE_VSA1":"39.69299154","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"75.59845711","PEOE_VSA7":"67.79826635","PEOE_VSA8":"99.89585225","PEOE_VSA9":"59.90168654","PSA":"","Permeability":"-5.26","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"12.14","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"128.7931808","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"115.3944477","SMR_VSA6":"59.61604827","SMR_VSA7":"47.86038245","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[2.1692, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[2.1692, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'Mono40', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 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href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1287,PEPTIDE1287,1:R1-6:R2$$$","HallKierAlpha":"-4.52","HeavyAtomCount":"61","HeavyAtomMolWt":"772.563","ID":"1287","Ipc":"2.57e+45","Kappa1":"9.905284502","Kappa2":"23.07293485","Kappa3":"13.48403579","LabuteASA":"464.4591007","MDCK":"","MaxAbsEStateIndex":"17.40543878","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"17.40543878","MaxPartialCharge":"0.245470845","MinAbsEStateIndex":"1.562219949","MinAbsPartialCharge":"0.245470845","MinEStateIndex":"-7.300930125","MinPartialCharge":"-0.378727819","MolLogP":"5.4724","MolMR":"237.2264","MolWt":"845.139","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"336","Original_Name_in_Source_Literature":"1.4-34","PAMPA":"-6.98","PC1":"2.169278056","PC2":"1.341443704","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"94.71723181","PEOE_VSA7":"86.43807384","PEOE_VSA8":"110.677761","PEOE_VSA9":"43.74739141","PSA":"","Permeability":"-6.98","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"15.5","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"132.2808691","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"147.2590722","SMR_VSA6":"46.01911056","SMR_VSA7":"47.86038245","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[2.1692, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'Mono39', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[2.1692, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Mono40/\">[Mono40]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Mono42']","Sequence_LogP":"[-0.2068000000000003, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, -0.5506999999999991]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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'Mono38', 'meL', 'Nle', 'dP', 'Mono42']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, -0.5506999999999991]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono42/\">[Mono42]</a>}$PEPTIDE1301,PEPTIDE1301,1:R1-6:R2$$$","HallKierAlpha":"-3.26","HeavyAtomCount":"53","HeavyAtomMolWt":"678.471","ID":"1301","Ipc":"5.61e+39","Kappa1":"8.105400663","Kappa2":"22.19832693","Kappa3":"13.52147571","LabuteASA":"414.6302062","MDCK":"","MaxAbsEStateIndex":"16.6892601","MaxAbsPartialCharge":"0.378792718","MaxEStateIndex":"16.6892601","MaxPartialCharge":"0.245390315","MinAbsEStateIndex":"1.944250071","MinAbsPartialCharge":"0.245390315","MinEStateIndex":"-7.244174712","MinPartialCharge":"-0.378792718","MolLogP":"2.2496","MolMR":"203.5334","MolWt":"748.023","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"21","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"302","Original_Name_in_Source_Literature":"1.5-08","PAMPA":"-5.27","PC1":"2.811939609","PC2":"-1.481774615","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.66713284","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"66.60305231","PEOE_VSA7":"50.02546478","PEOE_VSA8":"118.6071885","PEOE_VSA9":"45.30230964","PSA":"","Permeability":"-5.27","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"52.6","R_RRCK":"","RingCount":"3","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CCN2CCOCC2)CC(=O)N[C@@H](CC(C)C)C1=O","SMR_VSA1":"128.1685935","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.11917536","SMR_VSA4":"11.78791537","SMR_VSA5":"128.9121716","SMR_VSA6":"72.06867486","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono42']","Sequence_LogP":"[0.8193999999999995, 1.3073, 1.1616, 0.9635, 0.2794999999999998, -0.5506999999999991]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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32.78]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"161.0668503","SlogP_VSA3":"39.87701096","SlogP_VSA4":"11.78791537","SlogP_VSA5":"172.161934","SlogP_VSA6":"24.43062784","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1311","TPSA":"164.8","T_PAMPA":"3.2","VSA_EState1":"585.7068567","VSA_EState10":"0.0","VSA_EState2":"89.56352529","VSA_EState3":"-5.610992397","VSA_EState4":"-2.561147565","VSA_EState5":"-40.20383174","VSA_EState6":"-32.22229617","VSA_EState7":"-53.26180233","VSA_EState8":"-93.07697844","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"1","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"6","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"0","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"1","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"1","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.303314508"},"row_index":177,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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'PhPr_Gly', 'meL', 'Nle', 'dP', 'Mono42']","Sequence_LogP":"[0.8193999999999995, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, -0.5506999999999991]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono42']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, -0.5506999999999991]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono42']","Sequence_LogP":"[1.0159999999999998, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, -0.5506999999999991]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'PhPr_Gly', 'meL', 'Nle', 'dP', 'Mono42']","Sequence_LogP":"[1.0159999999999998, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, -0.5506999999999991]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono39/\">[Mono39]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono42/\">[Mono42]</a>}$PEPTIDE1322,PEPTIDE1322,1:R1-6:R2$$$","HallKierAlpha":"-5.02","HeavyAtomCount":"60","HeavyAtomMolWt":"766.536","ID":"1322","Ipc":"1.04e+42","Kappa1":"10.42238788","Kappa2":"23.10474838","Kappa3":"13.23990528","LabuteASA":"446.0484052","MDCK":"","MaxAbsEStateIndex":"16.8973812","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"16.8973812","MaxPartialCharge":"0.245580677","MinAbsEStateIndex":"1.566918376","MinAbsPartialCharge":"0.245580677","MinEStateIndex":"-7.114340931","MinPartialCharge":"-0.491752534","MolLogP":"2.335","MolMR":"226.6364","MolWt":"832.056","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"328","Original_Name_in_Source_Literature":"1.5-29","PAMPA":"-5.76","PC1":"3.147104542","PC2":"0.899401933","PEOE_VSA1":"39.69299154","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.66713284","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"81.64087582","PEOE_VSA7":"49.0339462","PEOE_VSA8":"93.80959969","PEOE_VSA9":"70.98978911","PSA":"","Permeability":"-5.76","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"18.23","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCN2CCOCC2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"127.4224222","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.11917536","SMR_VSA4":"5.893957685","SMR_VSA5":"89.23772053","SMR_VSA6":"78.6276601","SMR_VSA7":"65.98763857","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono39', 'meL', 'Nle', 'dP', 'Mono42']","Sequence_LogP":"[1.0159999999999998, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, -0.5506999999999991]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'Bn_Gly', 'meL', 'Nle', 'dP', 'Mono42']","Sequence_LogP":"[2.1692, 1.3173, 1.1616, 0.9635, 0.2794999999999998, -0.5506999999999991]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono42/\">[Mono42]</a>}$PEPTIDE1329,PEPTIDE1329,1:R1-6:R2$$$","HallKierAlpha":"-5.41","HeavyAtomCount":"63","HeavyAtomMolWt":"800.577","ID":"1329","Ipc":"2.82e+42","Kappa1":"11.15352317","Kappa2":"22.79418083","Kappa3":"12.84317628","LabuteASA":"464.241143","MDCK":"","MaxAbsEStateIndex":"17.21205293","MaxAbsPartialCharge":"0.378792718","MaxEStateIndex":"17.21205293","MaxPartialCharge":"0.245471975","MinAbsEStateIndex":"1.495022947","MinAbsPartialCharge":"0.245471975","MinEStateIndex":"-7.132453309","MinPartialCharge":"-0.378792718","MolLogP":"3.0469","MolMR":"240.1464","MolWt":"867.105","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"1","NumAromaticRings":"3","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"340","Original_Name_in_Source_Literature":"1.5-36","PAMPA":"-6.02","PC1":"3.197323466","PC2":"3.034364457","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"38.65111136","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"81.64087582","PEOE_VSA7":"65.70035231","PEOE_VSA8":"118.135284","PEOE_VSA9":"60.38065376","PSA":"","Permeability":"-6.02","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"69.4","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCN2CCOCC2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"124.0563178","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"40.10315388","SMR_VSA4":"5.893957685","SMR_VSA5":"95.61064544","SMR_VSA6":"72.06867486","SMR_VSA7":"77.85446177","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono42']","Sequence_LogP":"[2.1692, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, -0.5506999999999991]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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'pentyl_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/Bn_Gly/\">[Bn_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1336,PEPTIDE1336,1:R1-6:R2$$$","HallKierAlpha":"-4.45","HeavyAtomCount":"52","HeavyAtomMolWt":"683.918","ID":"1336","Ipc":"4.77e+29","Kappa1":"9.609254272","Kappa2":"18.86588452","Kappa3":"10.78616602","LabuteASA":"386.3212798","MDCK":"","MaxAbsEStateIndex":"16.32242773","MaxAbsPartialCharge":"0.343043276","MaxEStateIndex":"16.32242773","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.424923792","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-6.82498708","MinPartialCharge":"-0.343043276","MolLogP":"3.7548","MolMR":"198.5364","MolWt":"737.342","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"14","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"282","Original_Name_in_Source_Literature":"1.6-03","PAMPA":"-5.48","PC1":"5.208183871","PC2":"2.028184823","PEOE_VSA1":"30.21926563","PEOE_VSA10":"30.56842956","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"87.199397","PEOE_VSA7":"61.44928981","PEOE_VSA8":"72.61179595","PEOE_VSA9":"35.28278936","PSA":"","Permeability":"-5.48","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"15.27","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"101.4995936","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"102.7104071","SMR_VSA6":"26.46640595","SMR_VSA7":"70.53130467","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1337,PEPTIDE1337,1:R1-6:R2$$$","HallKierAlpha":"-3.67","HeavyAtomCount":"52","HeavyAtomMolWt":"683.918","ID":"1337","Ipc":"1.58e+34","Kappa1":"8.894111461","Kappa2":"19.41887985","Kappa3":"11.16729702","LabuteASA":"396.8778301","MDCK":"","MaxAbsEStateIndex":"16.39418852","MaxAbsPartialCharge":"0.343043479","MaxEStateIndex":"16.39418852","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.488609875","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.04618619","MinPartialCharge":"-0.343043479","MolLogP":"4.1349","MolMR":"199.8324","MolWt":"743.39","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"14","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"288","Original_Name_in_Source_Literature":"1.6-04","PAMPA":"-6.01","PC1":"3.707813288","PC2":"0.745912656","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"76.10607816","PEOE_VSA7":"74.5256458","PEOE_VSA8":"90.43165718","PEOE_VSA9":"32.18433916","PSA":"","Permeability":"-6.01","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"14.26","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"109.724145","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"128.0781719","SMR_VSA6":"32.96326564","SMR_VSA7":"34.75575964","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 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'Mono38', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1339,PEPTIDE1339,1:R1-6:R2$$$","HallKierAlpha":"-3.71","HeavyAtomCount":"52","HeavyAtomMolWt":"687.906","ID":"1339","Ipc":"2.6400000000000003e+34","Kappa1":"9.04138539","Kappa2":"20.5095716","Kappa3":"12.180603","LabuteASA":"396.6322644","MDCK":"","MaxAbsEStateIndex":"16.4172439","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.4172439","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.524944457","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.032421651","MinPartialCharge":"-0.38285076","MolLogP":"3.2272","MolMR":"198.9144","MolWt":"747.378","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"290","Original_Name_in_Source_Literature":"1.6-06","PAMPA":"-5.34","PC1":"3.722172089","PC2":"0.370921736","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"70.69108769","PEOE_VSA7":"61.30082878","PEOE_VSA8":"87.87429975","PEOE_VSA9":"48.33863429","PSA":"","Permeability":"-5.34","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"12.71","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"114.4610079","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"109.4383645","SMR_VSA6":"46.56020334","SMR_VSA7":"34.75575964","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[0.8193999999999995, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"125.6744905","SlogP_VSA3":"40.00094574","SlogP_VSA4":"11.78791537","SlogP_VSA5":"162.5666241","SlogP_VSA6":"24.16967483","SlogP_VSA7":"7.84631747","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1339","TPSA":"148.67","T_PAMPA":"42.93","VSA_EState1":"516.4710526","VSA_EState10":"5.855949236","VSA_EState2":"87.41876987","VSA_EState3":"-6.854886703","VSA_EState4":"-2.577419668","VSA_EState5":"-38.78655521","VSA_EState6":"-35.45184894","VSA_EState7":"-42.4272566","VSA_EState8":"-69.72775385","VSA_EState9":"-4.808939674","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"1","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.333919214"},"row_index":205,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1340,PEPTIDE1340,1:R1-6:R2$$$","HallKierAlpha":"-4.52","HeavyAtomCount":"53","HeavyAtomMolWt":"697.925","ID":"1340","Ipc":"2.19e+30","Kappa1":"9.82299198","Kappa2":"19.52569853","Kappa3":"11.48301627","LabuteASA":"393.3108404","MDCK":"","MaxAbsEStateIndex":"16.34255506","MaxAbsPartialCharge":"0.343043479","MaxEStateIndex":"16.34255506","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.440233125","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-6.881553362","MinPartialCharge":"-0.343043479","MolLogP":"3.1923","MolMR":"201.1984","MolWt":"752.357","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"288","Original_Name_in_Source_Literature":"1.6-07","PAMPA":"-5.65","PC1":"5.015652231","PC2":"2.562358308","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"63.02972217","PEOE_VSA7":"73.86463342","PEOE_VSA8":"90.4406206","PEOE_VSA9":"37.66737338","PSA":"","Permeability":"-5.65","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"81.02","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"102.8703522","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"5.893957685","SMR_VSA5":"102.5864723","SMR_VSA6":"32.96326564","SMR_VSA7":"64.74983896","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"117.0615313","SlogP_VSA3":"41.63700769","SlogP_VSA4":"5.893957685","SlogP_VSA5":"148.0514658","SlogP_VSA6":"48.60030267","SlogP_VSA7":"7.84631747","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1340","TPSA":"152.33","T_PAMPA":"24.13","VSA_EState1":"472.6172987","VSA_EState10":"5.862785934","VSA_EState2":"90.0981364","VSA_EState3":"-6.342394036","VSA_EState4":"-4.753785994","VSA_EState5":"-31.38420335","VSA_EState6":"-37.76091302","VSA_EState7":"-44.33038519","VSA_EState8":"-57.06209498","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"1","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"5","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"1","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.378557599"},"row_index":206,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'PhPr_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/Mono39/\">[Mono39]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1343,PEPTIDE1343,1:R1-6:R2$$$","HallKierAlpha":"-4.65","HeavyAtomCount":"54","HeavyAtomMolWt":"711.928","ID":"1343","Ipc":"9.64e+32","Kappa1":"10.01096669","Kappa2":"20.14819794","Kappa3":"11.6732239","LabuteASA":"400.6097081","MDCK":"","MaxAbsEStateIndex":"16.35283773","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"16.35283773","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.448554622","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-6.902281625","MinPartialCharge":"-0.491752534","MolLogP":"3.6336","MolMR":"205.1944","MolWt":"767.368","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"294","Original_Name_in_Source_Literature":"1.6-10","PAMPA":"-6.3","PC1":"4.33075051","PC2":"1.577106252","PEOE_VSA1":"34.95612858","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"75.11455958","PEOE_VSA7":"67.97067573","PEOE_VSA8":"66.11493627","PEOE_VSA9":"51.01802584","PSA":"","Permeability":"-6.3","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"15.81","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"108.9779737","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"96.21354743","SMR_VSA6":"39.52225088","SMR_VSA7":"64.96785317","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'Mono39', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1346,PEPTIDE1346,1:R1-6:R2$$$","HallKierAlpha":"-4.45","HeavyAtomCount":"55","HeavyAtomMolWt":"719.951","ID":"1346","Ipc":"3.0099999999999997e+35","Kappa1":"9.797549783","Kappa2":"20.46224074","Kappa3":"12.27109501","LabuteASA":"413.8459291","MDCK":"","MaxAbsEStateIndex":"16.65864166","MaxAbsPartialCharge":"0.342747488","MaxEStateIndex":"16.65864166","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.515715841","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.002141196","MinPartialCharge":"-0.342747488","MolLogP":"4.781","MolMR":"212.3174","MolWt":"779.423","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"300","Original_Name_in_Source_Literature":"1.6-13","PAMPA":"-6.63","PC1":"3.995403046","PC2":"2.150528024","PEOE_VSA1":"30.21926563","PEOE_VSA10":"30.56842956","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"100.9031812","PEOE_VSA7":"66.86428028","PEOE_VSA8":"80.83634729","PEOE_VSA9":"35.28278936","PSA":"","Permeability":"-6.63","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"33.31","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"109.724145","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"115.9352241","SMR_VSA6":"26.46640595","SMR_VSA7":"70.53130467","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 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20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"105.5806931","SlogP_VSA3":"41.76094247","SlogP_VSA4":"11.78791537","SlogP_VSA5":"168.1300756","SlogP_VSA6":"54.38176837","SlogP_VSA7":"7.84631747","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1346","TPSA":"139.44","T_PAMPA":"2.87","VSA_EState1":"520.3269664","VSA_EState10":"5.88644272","VSA_EState2":"88.85437441","VSA_EState3":"-6.742821494","VSA_EState4":"-5.259268302","VSA_EState5":"-38.41109141","VSA_EState6":"-45.90033092","VSA_EState7":"-42.32505476","VSA_EState8":"-63.31810548","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.336983575"},"row_index":212,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-1.53e-16","BCUT2D_CHGLO":"-2.708629665","BCUT2D_LOGPHI":"-8.53e-17","BCUT2D_LOGPLOW":"-2.860623584","BCUT2D_MRHI":"1.67e-16","BCUT2D_MRLOW":"-1.133995059","BCUT2D_MWHI":"3.14e-15","BCUT2D_MWLOW":"-0.249290783","BalabanJ":"2.95373929","BertzCT":"4111.898009","CHCl3_3DPSA":"113.0","Caco2":"","Chi0":"90.06351324","Chi0n":"83.41898408","Chi0v":"27.17491303","Chi1":"48.54556405","Chi1n":"42.04411135","Chi1v":"14.02764864","Chi2n":"8.992713538","Chi2v":"9.370678011","Chi3n":"5.516859665","Chi3v":"5.705841902","Chi4n":"3.393515372","Chi4v":"3.48800649","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"284.3823899","EState_VSA10":"24.75582106","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"4.736862954","EState_VSA9":"65.06052358","ExactMolWt":"780.3977258","FpDensityMorgan1":"1.0","FpDensityMorgan2":"1.781818182","FpDensityMorgan3":"2.490909091","FractionCSP3":"0.56097561","H2O_3DPSA":"112.0","HELM":"PEPTIDE1347{F.[MeOEt_Gly].[meL].[Nle].[dP].[Bn(4-Cl)_Gly]}$PEPTIDE1347,PEPTIDE1347,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1347{<a href=\"/monomers/F/\">F</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1347,PEPTIDE1347,1:R1-6:R2$$$","HallKierAlpha":"-4.49","HeavyAtomCount":"55","HeavyAtomMolWt":"723.939","ID":"1347","Ipc":"3.4200000000000003e+34","Kappa1":"10.13818153","Kappa2":"20.98583958","Kappa3":"12.2508239","LabuteASA":"409.7845912","MDCK":"","MaxAbsEStateIndex":"16.48245424","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.48245424","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.487668328","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-6.968485329","MinPartialCharge":"-0.38285076","MolLogP":"3.4238","MolMR":"209.6054","MolWt":"781.395","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"300","Original_Name_in_Source_Literature":"1.6-14","PAMPA":"-5.94","PC1":"4.137561444","PC2":"1.845978976","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"87.199397","PEOE_VSA7":"54.59739769","PEOE_VSA8":"84.65191476","PEOE_VSA9":"55.19242707","PSA":"","Permeability":"-5.94","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"13.57","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"111.7194908","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"95.73458022","SMR_VSA6":"46.56020334","SMR_VSA7":"70.53130467","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[1.0159999999999998, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1350,PEPTIDE1350,1:R1-6:R2$$$","HallKierAlpha":"-4.45","HeavyAtomCount":"56","HeavyAtomMolWt":"731.962","ID":"1350","Ipc":"1.18e+37","Kappa1":"9.865772346","Kappa2":"21.74400505","Kappa3":"12.52903352","LabuteASA":"423.0208122","MDCK":"","MaxAbsEStateIndex":"16.73497445","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.73497445","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.521598414","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.081396878","MinPartialCharge":"-0.342506689","MolLogP":"4.9676","MolMR":"217.2544","MolWt":"793.45","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"306","Original_Name_in_Source_Literature":"1.6-17","PAMPA":"-8.04","PC1":"3.830880015","PC2":"2.412816166","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"106.7971389","PEOE_VSA7":"60.97032259","PEOE_VSA8":"92.69230642","PEOE_VSA9":"39.03813194","PSA":"","Permeability":"-8.04","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"46.88","R_RRCK":"","RingCount":"4","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(Cc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O","SMR_VSA1":"112.4656621","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"121.705247","SMR_VSA6":"32.96326564","SMR_VSA7":"70.53130467","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[1.0159999999999998, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"112.0775528","SlogP_VSA3":"41.63700769","SlogP_VSA4":"5.893957685","SlogP_VSA5":"176.7655504","SlogP_VSA6":"54.38176837","SlogP_VSA7":"7.84631747","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1350","TPSA":"139.44","T_PAMPA":"0.13","VSA_EState1":"537.8656585","VSA_EState10":"5.897651258","VSA_EState2":"88.84594718","VSA_EState3":"-6.703111389","VSA_EState4":"-5.266387634","VSA_EState5":"-32.7389537","VSA_EState6":"-45.88960136","VSA_EState7":"-59.22995139","VSA_EState8":"-58.42014036","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.275099601"},"row_index":216,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1351,PEPTIDE1351,1:R1-6:R2$$$","HallKierAlpha":"-4.52","HeavyAtomCount":"56","HeavyAtomMolWt":"733.958","ID":"1351","Ipc":"5.58e+36","Kappa1":"10.00962919","Kappa2":"21.1291959","Kappa3":"12.49339076","LabuteASA":"420.8354897","MDCK":"","MaxAbsEStateIndex":"16.70498226","MaxAbsPartialCharge":"0.342747691","MaxEStateIndex":"16.70498226","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.531025174","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.058707479","MinPartialCharge":"-0.342747691","MolLogP":"4.2185","MolMR":"214.9794","MolWt":"794.438","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"306","Original_Name_in_Source_Literature":"1.6-18","PAMPA":"-5.36","PC1":"3.797357036","PC2":"2.684004627","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"76.7335064","PEOE_VSA7":"79.27962389","PEOE_VSA8":"98.66517194","PEOE_VSA9":"37.66737338","PSA":"","Permeability":"-5.36","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"21.39","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"111.0949035","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"11.78791537","SMR_VSA5":"115.8112894","SMR_VSA6":"32.96326564","SMR_VSA7":"64.74983896","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1352,PEPTIDE1352,1:R1-6:R2$$$","HallKierAlpha":"-4.45","HeavyAtomCount":"57","HeavyAtomMolWt":"743.973","ID":"1352","Ipc":"1.1200000000000001e+38","Kappa1":"9.936351423","Kappa2":"21.90319074","Kappa3":"13.30030009","LabuteASA":"432.1956953","MDCK":"","MaxAbsEStateIndex":"16.82807602","MaxAbsPartialCharge":"0.342747693","MaxEStateIndex":"16.82807602","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.555388338","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.136872084","MinPartialCharge":"-0.342747693","MolLogP":"5.2136","MolMR":"221.8014","MolWt":"807.477","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"312","Original_Name_in_Source_Literature":"1.6-19","PAMPA":"-7.97","PC1":"3.346582405","PC2":"2.211867838","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"100.9031812","PEOE_VSA7":"79.61013008","PEOE_VSA8":"89.06089863","PEOE_VSA9":"39.03813194","PSA":"","Permeability":"-7.97","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"46.31","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.2071792","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"122.1842143","SMR_VSA6":"32.96326564","SMR_VSA7":"70.53130467","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'PhPr_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[0.8193999999999995, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"112.0775528","SlogP_VSA3":"41.63700769","SlogP_VSA4":"11.78791537","SlogP_VSA5":"179.9860347","SlogP_VSA6":"54.38176837","SlogP_VSA7":"7.84631747","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1352","TPSA":"139.44","T_PAMPA":"0.13","VSA_EState1":"557.4137328","VSA_EState10":"5.888733763","VSA_EState2":"88.92872355","VSA_EState3":"-6.978533449","VSA_EState4":"-5.045473681","VSA_EState5":"-39.41990256","VSA_EState6":"-45.69551386","VSA_EState7":"-54.39157489","VSA_EState8":"-65.08908058","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.285147268"},"row_index":218,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1353,PEPTIDE1353,1:R1-6:R2$$$","HallKierAlpha":"-4.65","HeavyAtomCount":"57","HeavyAtomMolWt":"747.961","ID":"1353","Ipc":"2.13e+37","Kappa1":"10.19682126","Kappa2":"21.75798944","Kappa3":"13.19601651","LabuteASA":"428.1343574","MDCK":"","MaxAbsEStateIndex":"16.68394337","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"16.68394337","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.539346671","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.079435742","MinPartialCharge":"-0.491752534","MolLogP":"4.6598","MolMR":"218.9754","MolWt":"809.449","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"312","Original_Name_in_Source_Literature":"1.6-20","PAMPA":"-7.56","PC1":"3.120251714","PC2":"1.682012341","PEOE_VSA1":"34.95612858","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"88.81834382","PEOE_VSA7":"73.3856662","PEOE_VSA8":"74.3394876","PEOE_VSA9":"51.01802584","PSA":"","Permeability":"-7.56","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"44.8","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"117.202525","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"109.4383645","SMR_VSA6":"39.52225088","SMR_VSA7":"64.96785317","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'Mono39', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[0.8193999999999995, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Mono40/\">[Mono40]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1354,PEPTIDE1354,1:R1-6:R2$$$","HallKierAlpha":"-4.46","HeavyAtomCount":"57","HeavyAtomMolWt":"747.965","ID":"1354","Ipc":"3.86e+38","Kappa1":"9.932282215","Kappa2":"21.34190073","Kappa3":"13.02660675","LabuteASA":"431.1678709","MDCK":"","MaxAbsEStateIndex":"16.80472441","MaxAbsPartialCharge":"0.342747693","MaxEStateIndex":"16.80472441","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"0.752890516","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.140048035","MinPartialCharge":"-0.342747693","MolLogP":"3.9471","MolMR":"218.5674","MolWt":"811.469","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"314","Original_Name_in_Source_Literature":"1.6-21","PAMPA":"-5.52","PC1":"3.711633248","PC2":"2.9984029","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.44902604","PEOE_VSA3":"0.0","PEOE_VSA4":"5.098681808","PEOE_VSA5":"0.0","PEOE_VSA6":"70.69108769","PEOE_VSA7":"79.61013008","PEOE_VSA8":"106.3218964","PEOE_VSA9":"41.09875148","PSA":"","Permeability":"-5.52","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"17.0","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2cnn(C)c2)C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.2071792","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"39.99975037","SMR_VSA4":"18.76374227","SMR_VSA5":"122.1842143","SMR_VSA6":"32.96326564","SMR_VSA7":"52.66500155","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'Mono40', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[0.8193999999999995, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"121.8580376","SlogP_VSA3":"48.61283459","SlogP_VSA4":"11.78791537","SlogP_VSA5":"179.9860347","SlogP_VSA6":"36.51546525","SlogP_VSA7":"7.84631747","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1354","TPSA":"157.26","T_PAMPA":"31.13","VSA_EState1":"554.7389475","VSA_EState10":"5.885571827","VSA_EState2":"88.83025867","VSA_EState3":"-4.064712844","VSA_EState4":"-5.057423387","VSA_EState5":"-39.44955787","VSA_EState6":"-35.9964571","VSA_EState7":"-58.85155053","VSA_EState8":"-69.1739651","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"2","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"6","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"1","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.310526938"},"row_index":220,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1355,PEPTIDE1355,1:R1-6:R2$$$","HallKierAlpha":"-5.23","HeavyAtomCount":"58","HeavyAtomMolWt":"755.984","ID":"1355","Ipc":"3.1e+36","Kappa1":"10.92667204","Kappa2":"20.97071836","Kappa3":"11.90720229","LabuteASA":"426.998256","MDCK":"","MaxAbsEStateIndex":"16.78821775","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.78821775","MaxPartialCharge":"0.245763107","MinAbsEStateIndex":"1.478439712","MinAbsPartialCharge":"0.245763107","MinEStateIndex":"-6.938204874","MinPartialCharge":"-0.342506689","MolLogP":"4.9776","MolMR":"223.0084","MolWt":"813.44","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"310","Original_Name_in_Source_Literature":"1.6-22","PAMPA":"-8.11","PC1":"4.413515727","PC2":"3.943308463","PEOE_VSA1":"30.21926563","PEOE_VSA10":"30.56842956","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"117.4114905","PEOE_VSA7":"60.16084918","PEOE_VSA8":"77.6139623","PEOE_VSA9":"42.13658214","PSA":"","Permeability":"-8.11","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"54.06","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"106.9826279","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"102.2314399","SMR_VSA6":"26.46640595","SMR_VSA7":"106.3068497","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 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'Mono41', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[0.8193999999999995, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 40.620000000000005, 20.31, 29.1, 20.31, 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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1357,PEPTIDE1357,1:R1-6:R2$$$","HallKierAlpha":"-4.45","HeavyAtomCount":"58","HeavyAtomMolWt":"755.984","ID":"1357","Ipc":"2.43e+39","Kappa1":"10.17584508","Kappa2":"21.52280991","Kappa3":"12.28487616","LabuteASA":"437.5548063","MDCK":"","MaxAbsEStateIndex":"17.07592935","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.07592935","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.542125795","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.159403985","MinPartialCharge":"-0.342506689","MolLogP":"5.3577","MolMR":"224.3044","MolWt":"819.488","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"316","Original_Name_in_Source_Literature":"1.6-24","PAMPA":"-8.61","PC1":"2.781499856","PC2":"2.29549061","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"106.3181717","PEOE_VSA7":"73.23720518","PEOE_VSA8":"95.43382353","PEOE_VSA9":"39.03813194","PSA":"","Permeability":"-8.61","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"65.29","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.2071792","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"127.5992047","SMR_VSA6":"32.96326564","SMR_VSA7":"70.53130467","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1358,PEPTIDE1358,1:R1-6:R2$$$","HallKierAlpha":"-4.49","HeavyAtomCount":"58","HeavyAtomMolWt":"759.972","ID":"1358","Ipc":"3.7499999999999997e+37","Kappa1":"10.50531287","Kappa2":"21.49440684","Kappa3":"12.26539869","LabuteASA":"433.4934684","MDCK":"","MaxAbsEStateIndex":"16.99139039","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.99139039","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.52933513","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.119920514","MinPartialCharge":"-0.381428301","MolLogP":"4.204","MolMR":"221.2724","MolWt":"821.46","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"316","Original_Name_in_Source_Literature":"1.6-25","PAMPA":"-6.0","PC1":"2.999730274","PC2":"1.475558128","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"87.199397","PEOE_VSA7":"73.23720518","PEOE_VSA8":"100.3272427","PEOE_VSA9":"44.52116616","PSA":"","Permeability":"-6.0","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"14.4","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"117.202525","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"108.48043","SMR_VSA6":"46.08123612","SMR_VSA7":"70.53130467","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono38', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1359,PEPTIDE1359,1:R1-6:R2$$$","HallKierAlpha":"-5.3","HeavyAtomCount":"59","HeavyAtomMolWt":"769.991","ID":"1359","Ipc":"3.7699999999999997e+37","Kappa1":"11.14111862","Kappa2":"21.62940795","Kappa3":"12.59705487","LabuteASA":"433.9878166","MDCK":"","MaxAbsEStateIndex":"16.83455835","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.83455835","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.493749045","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-6.994771156","MinPartialCharge":"-0.342506689","MolLogP":"4.4151","MolMR":"225.6704","MolWt":"828.455","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"1","NumAromaticRings":"3","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"316","Original_Name_in_Source_Literature":"1.6-26","PAMPA":"-6.12","PC1":"4.248322521","PC2":"4.483993092","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"93.24181571","PEOE_VSA7":"72.57619279","PEOE_VSA8":"95.44278694","PEOE_VSA9":"44.52116616","PSA":"","Permeability":"-6.12","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"21.02","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"108.3533864","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"5.893957685","SMR_VSA5":"102.1075051","SMR_VSA6":"32.96326564","SMR_VSA7":"100.525384","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[1.0159999999999998, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"117.0615313","SlogP_VSA3":"48.00993259","SlogP_VSA4":"5.893957685","SlogP_VSA5":"152.2460594","SlogP_VSA6":"78.81239621","SlogP_VSA7":"7.84631747","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1359","TPSA":"152.33","T_PAMPA":"9.03","VSA_EState1":"517.0894212","VSA_EState10":"5.920808698","VSA_EState2":"92.65571177","VSA_EState3":"-6.513204607","VSA_EState4":"-7.545341949","VSA_EState5":"-32.11330482","VSA_EState6":"-49.10676485","VSA_EState7":"-50.88903113","VSA_EState8":"-52.55384991","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"1","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"5","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"1","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.274604706"},"row_index":225,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1360,PEPTIDE1360,1:R1-6:R2$$$","HallKierAlpha":"-5.01","HeavyAtomCount":"59","HeavyAtomMolWt":"771.983","ID":"1360","Ipc":"2.47e+38","Kappa1":"11.07652889","Kappa2":"21.30648367","Kappa3":"12.03587222","LabuteASA":"435.2761967","MDCK":"","MaxAbsEStateIndex":"16.75180681","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.75180681","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.428940205","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.00732597","MinPartialCharge":"-0.38285076","MolLogP":"4.577","MolMR":"227.1114","MolWt":"831.455","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"318","Original_Name_in_Source_Literature":"1.6-27","PAMPA":"-7.82","PC1":"3.568313689","PC2":"3.1742639","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"99.28423441","PEOE_VSA7":"65.36984612","PEOE_VSA8":"84.65191476","PEOE_VSA9":"57.93394418","PSA":"","Permeability":"-7.82","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"40.18","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"114.4610079","SMR_VSA10":"57.8164667","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"95.73458022","SMR_VSA6":"46.56020334","SMR_VSA7":"82.61614208","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[2.1692, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"125.6744905","SlogP_VSA3":"46.37387064","SlogP_VSA4":"5.893957685","SlogP_VSA5":"148.0533664","SlogP_VSA6":"66.46660578","SlogP_VSA7":"7.84631747","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1360","TPSA":"148.67","T_PAMPA":"0.2","VSA_EState1":"526.9298094","VSA_EState10":"5.920359211","VSA_EState2":"89.27367904","VSA_EState3":"-9.719069119","VSA_EState4":"-5.195519541","VSA_EState5":"-32.29574846","VSA_EState6":"-47.82533362","VSA_EState7":"-41.78871519","VSA_EState8":"-58.48783997","VSA_EState9":"-4.783843993","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"3","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"1","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.27183314"},"row_index":226,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-1.7e-16","BCUT2D_CHGLO":"-2.710061864","BCUT2D_LOGPHI":"-3.22e-17","BCUT2D_LOGPLOW":"-2.858236433","BCUT2D_MRHI":"2.98e-16","BCUT2D_MRLOW":"-1.13398347","BCUT2D_MWHI":"2.67e-15","BCUT2D_MWLOW":"-0.249290783","BalabanJ":"2.567984183","BertzCT":"4699.061264","CHCl3_3DPSA":"104.0","Caco2":"","Chi0":"96.82050808","Chi0n":"90.01073579","Chi0v":"29.76666473","Chi1":"52.76388375","Chi1n":"45.63586306","Chi1v":"15.61940034","Chi2n":"10.03858939","Chi2v":"10.41655387","Chi3n":"6.163586782","Chi3v":"6.352569019","Chi4n":"3.783902601","Chi4v":"3.87839372","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"319.306847","EState_VSA10":"32.98037239","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"62.31900647","ExactMolWt":"840.4341114","FpDensityMorgan1":"0.866666667","FpDensityMorgan2":"1.583333333","FpDensityMorgan3":"2.266666667","FractionCSP3":"0.489361702","H2O_3DPSA":"102.0","HELM":"PEPTIDE1361{F.[PhPr_Gly].[meL].[Nle].[dP].[Bn(4-Cl)_Gly]}$PEPTIDE1361,PEPTIDE1361,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1361{<a href=\"/monomers/F/\">F</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1361,PEPTIDE1361,1:R1-6:R2$$$","HallKierAlpha":"-5.23","HeavyAtomCount":"60","HeavyAtomMolWt":"780.006","ID":"1361","Ipc":"3.17e+39","Kappa1":"11.03892327","Kappa2":"22.39371926","Kappa3":"12.88455834","LabuteASA":"445.3480222","MDCK":"","MaxAbsEStateIndex":"16.95765211","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.95765211","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.518112209","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.072935762","MinPartialCharge":"-0.342506689","MolLogP":"5.4102","MolMR":"232.4924","MolWt":"841.494","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"322","Original_Name_in_Source_Literature":"1.6-28","PAMPA":"-8.47","PC1":"3.580498087","PC2":"3.626977817","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"117.4114905","PEOE_VSA7":"72.90669898","PEOE_VSA8":"85.83851363","PEOE_VSA9":"45.89192472","PSA":"","Permeability":"-8.47","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"57.41","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"112.4656621","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"108.48043","SMR_VSA6":"32.96326564","SMR_VSA7":"106.3068497","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'PhPr_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[1.0159999999999998, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"112.0775528","SlogP_VSA3":"48.00993259","SlogP_VSA4":"5.893957685","SlogP_VSA5":"162.73126","SlogP_VSA6":"84.59386191","SlogP_VSA7":"7.84631747","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1361","TPSA":"139.44","T_PAMPA":"0.03","VSA_EState1":"544.9013138","VSA_EState10":"5.923611017","VSA_EState2":"89.80843307","VSA_EState3":"-6.646993164","VSA_EState4":"-7.602394468","VSA_EState5":"-32.59921739","VSA_EState6":"-55.26975679","VSA_EState7":"-53.29489331","VSA_EState8":"-53.35899162","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"3","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.23628176"},"row_index":227,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono39/\">[Mono39]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono40/\">[Mono40]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1364,PEPTIDE1364,1:R1-6:R2$$$","HallKierAlpha":"-5.24","HeavyAtomCount":"60","HeavyAtomMolWt":"783.998","ID":"1364","Ipc":"1.19e+38","Kappa1":"11.03464548","Kappa2":"21.84881412","Kappa3":"12.63718775","LabuteASA":"444.3201978","MDCK":"","MaxAbsEStateIndex":"16.9343005","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.9343005","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"0.708581954","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.076111713","MinPartialCharge":"-0.342506689","MolLogP":"4.1437","MolMR":"229.2584","MolWt":"845.486","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"1","NumAromaticRings":"3","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"324","Original_Name_in_Source_Literature":"1.6-31","PAMPA":"-6.11","PC1":"4.010191554","PC2":"4.418111934","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.44902604","PEOE_VSA3":"0.0","PEOE_VSA4":"5.098681808","PEOE_VSA5":"0.0","PEOE_VSA6":"87.199397","PEOE_VSA7":"72.90669898","PEOE_VSA8":"103.0995114","PEOE_VSA9":"47.95254426","PSA":"","Permeability":"-6.11","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"16.73","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2cnn(C)c2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"112.4656621","SMR_VSA10":"47.04401827","SMR_VSA2":"0.0","SMR_VSA3":"39.99975037","SMR_VSA4":"12.86978459","SMR_VSA5":"108.48043","SMR_VSA6":"32.96326564","SMR_VSA7":"88.44054658","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono40', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[1.0159999999999998, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"121.8580376","SlogP_VSA3":"54.98575949","SlogP_VSA4":"5.893957685","SlogP_VSA5":"162.73126","SlogP_VSA6":"66.72755879","SlogP_VSA7":"7.84631747","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1364","TPSA":"157.26","T_PAMPA":"9.2","VSA_EState1":"542.2816657","VSA_EState10":"5.920449081","VSA_EState2":"89.70996819","VSA_EState3":"-3.687892194","VSA_EState4":"-7.618376195","VSA_EState5":"-32.62569675","VSA_EState6":"-45.81832723","VSA_EState7":"-57.64960385","VSA_EState8":"-57.4010756","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"2","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"6","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"1","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.262085628"},"row_index":230,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono41/\">[Mono41]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1365,PEPTIDE1365,1:R1-6:R2$$$","HallKierAlpha":"-4.98","HeavyAtomCount":"60","HeavyAtomMolWt":"785.99","ID":"1365","Ipc":"1.04e+40","Kappa1":"10.96264747","Kappa2":"22.03274299","Kappa3":"12.52709947","LabuteASA":"446.0711916","MDCK":"","MaxAbsEStateIndex":"16.93778562","MaxAbsPartialCharge":"0.342621218","MaxEStateIndex":"16.93778562","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.541995315","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.140518396","MinPartialCharge":"-0.342621218","MolLogP":"3.7899","MolMR":"228.1604","MolWt":"848.486","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"326","Original_Name_in_Source_Literature":"1.6-32","PAMPA":"-5.78","PC1":"2.961648797","PC2":"1.926759503","PEOE_VSA1":"35.11917536","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"87.199397","PEOE_VSA7":"67.34324749","PEOE_VSA8":"113.4297092","PEOE_VSA9":"39.03813194","PSA":"","Permeability":"-5.78","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"30.78","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCN2CCCC2=O)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"118.6309578","SMR_VSA10":"52.951198","SMR_VSA2":"0.0","SMR_VSA3":"35.11917536","SMR_VSA4":"5.893957685","SMR_VSA5":"114.8533549","SMR_VSA6":"45.95698501","SMR_VSA7":"70.53130467","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono41', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[1.0159999999999998, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 40.620000000000005, 20.31, 29.1, 20.31, 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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1366,PEPTIDE1366,1:R1-6:R2$$$","HallKierAlpha":"-5.75","HeavyAtomCount":"62","HeavyAtomMolWt":"804.028","ID":"1366","Ipc":"7.77e+38","Kappa1":"11.87454346","Kappa2":"21.35998268","Kappa3":"11.78491757","LabuteASA":"452.4898615","MDCK":"","MaxAbsEStateIndex":"17.08185059","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.08185059","MaxPartialCharge":"0.24576311","MinAbsEStateIndex":"1.41588334","MinAbsPartialCharge":"0.24576311","MinEStateIndex":"-6.977045515","MinPartialCharge":"-0.342506689","MolLogP":"6.1308","MolMR":"240.5144","MolWt":"863.5","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"4","NumAromaticHeterocycles":"0","NumAromaticRings":"4","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"328","Original_Name_in_Source_Literature":"1.6-33","PAMPA":"-9.46","PC1":"3.819416662","PC2":"5.202734108","PEOE_VSA1":"30.21926563","PEOE_VSA10":"30.56842956","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"129.496328","PEOE_VSA7":"70.93329761","PEOE_VSA8":"77.6139623","PEOE_VSA9":"44.87809926","PSA":"","Permeability":"-9.46","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"65.94","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"109.724145","SMR_VSA10":"57.8164667","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"102.2314399","SMR_VSA6":"26.46640595","SMR_VSA7":"118.3916871","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[2.1692, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1367,PEPTIDE1367,1:R1-6:R2$$$","HallKierAlpha":"-4.97","HeavyAtomCount":"62","HeavyAtomMolWt":"804.028","ID":"1367","Ipc":"1.22e+42","Kappa1":"11.09512042","Kappa2":"21.89567027","Kappa3":"12.1407973","LabuteASA":"463.0464118","MDCK":"","MaxAbsEStateIndex":"17.36956219","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.36956219","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.498343237","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.198244626","MinPartialCharge":"-0.342506689","MolLogP":"6.5109","MolMR":"241.8104","MolWt":"869.548","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"334","Original_Name_in_Source_Literature":"1.6-34","PAMPA":"-10.0","PC1":"2.155561286","PC2":"3.565117423","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"118.4030091","PEOE_VSA7":"84.00965361","PEOE_VSA8":"95.43382353","PEOE_VSA9":"41.77964905","PSA":"","Permeability":"-10.0","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"67.32","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"117.9486963","SMR_VSA10":"57.8164667","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"127.5992047","SMR_VSA6":"32.96326564","SMR_VSA7":"82.61614208","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[2.1692, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"112.0775528","SlogP_VSA3":"41.63700769","SlogP_VSA4":"11.78791537","SlogP_VSA5":"188.1425423","SlogP_VSA6":"66.46660578","SlogP_VSA7":"7.84631747","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1367","TPSA":"139.44","T_PAMPA":"0.0","VSA_EState1":"586.9289876","VSA_EState10":"5.942556303","VSA_EState2":"90.71450902","VSA_EState3":"-10.19657576","VSA_EState4":"-5.424771543","VSA_EState5":"-39.79648593","VSA_EState6":"-49.45957854","VSA_EState7":"-70.5656189","VSA_EState8":"-54.61524448","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"3","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.225518054"},"row_index":233,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-1.75e-16","BCUT2D_CHGLO":"-2.768513935","BCUT2D_LOGPHI":"-6.6e-17","BCUT2D_LOGPLOW":"-2.867734513","BCUT2D_MRHI":"1.98e-16","BCUT2D_MRLOW":"-1.133989897","BCUT2D_MWHI":"3.24e-15","BCUT2D_MWLOW":"-0.249290783","BalabanJ":"2.295899654","BertzCT":"4945.440217","CHCl3_3DPSA":"125.0","Caco2":"","Chi0":"99.87291432","Chi0n":"92.91898408","Chi0v":"30.67491303","Chi1":"54.36693125","Chi1n":"47.29411135","Chi1v":"16.27764864","Chi2n":"10.71977561","Chi2v":"11.09774008","Chi3n":"6.736112627","Chi3v":"6.925094863","Chi4n":"4.233863778","Chi4v":"4.328354896","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"325.400516","EState_VSA10":"32.98037239","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"4.736862954","EState_VSA9":"65.06052358","ExactMolWt":"870.444676","FpDensityMorgan1":"0.919354839","FpDensityMorgan2":"1.677419355","FpDensityMorgan3":"2.419354839","FractionCSP3":"0.541666667","H2O_3DPSA":"123.0","HELM":"PEPTIDE1368{[Nal].[Mono38].[meL].[Nle].[dP].[Bn(4-Cl)_Gly]}$PEPTIDE1368,PEPTIDE1368,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1368{<a href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1368,PEPTIDE1368,1:R1-6:R2$$$","HallKierAlpha":"-5.01","HeavyAtomCount":"62","HeavyAtomMolWt":"808.016","ID":"1368","Ipc":"2.1499999999999997e+41","Kappa1":"11.43586595","Kappa2":"21.86811109","Kappa3":"12.12244512","LabuteASA":"458.9850739","MDCK":"","MaxAbsEStateIndex":"17.28502322","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"17.28502322","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.48230157","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.158761155","MinPartialCharge":"-0.381428301","MolLogP":"5.3572","MolMR":"238.7784","MolWt":"871.52","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"334","Original_Name_in_Source_Literature":"1.6-35","PAMPA":"-7.82","PC1":"2.38240531","PC2":"2.758727082","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"99.28423441","PEOE_VSA7":"84.00965361","PEOE_VSA8":"100.3272427","PEOE_VSA9":"47.26268327","PSA":"","Permeability":"-7.82","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"41.94","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"119.9440421","SMR_VSA10":"57.8164667","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"108.48043","SMR_VSA6":"46.08123612","SMR_VSA7":"82.61614208","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono38', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[2.1692, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"125.1955233","SlogP_VSA3":"46.37387064","SlogP_VSA4":"11.78791537","SlogP_VSA5":"166.2822505","SlogP_VSA6":"66.46660578","SlogP_VSA7":"7.84631747","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1368","TPSA":"148.67","T_PAMPA":"0.2","VSA_EState1":"571.757595","VSA_EState10":"5.94053645","VSA_EState2":"90.54713011","VSA_EState3":"-10.08716218","VSA_EState4":"-5.374025086","VSA_EState5":"-39.40381295","VSA_EState6":"-49.102945","VSA_EState7":"-53.82614394","VSA_EState8":"-64.67339464","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"3","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.263970677"},"row_index":234,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[2.1692, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-8.08e-17","BCUT2D_CHGLO":"-2.710058079","BCUT2D_LOGPHI":"-6e-17","BCUT2D_LOGPLOW":"-2.858223691","BCUT2D_MRHI":"5.88e-16","BCUT2D_MRLOW":"-1.133985946","BCUT2D_MWHI":"10.07310785","BCUT2D_MWLOW":"-0.249290783","BalabanJ":"2.281931992","BertzCT":"5215.757659","CHCl3_3DPSA":"107.0","Caco2":"","Chi0":"101.1299092","Chi0n":"94.01073579","Chi0v":"31.76666473","Chi1":"55.58525095","Chi1n":"47.88586306","Chi1v":"16.86940034","Chi2n":"11.03858939","Chi2v":"11.41655387","Chi3n":"6.913586782","Chi3v":"7.102569019","Chi4n":"4.315152601","Chi4v":"4.40964372","Detection_Limit_1":"0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)","Detection_Limit_2":"","EPSA":"","EState_VSA1":"342.1641329","EState_VSA10":"41.20492373","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"56.83597224","ExactMolWt":"890.4497614","FpDensityMorgan1":"0.84375","FpDensityMorgan2":"1.59375","FpDensityMorgan3":"2.34375","FractionCSP3":"0.450980392","H2O_3DPSA":"113.0","HELM":"PEPTIDE1370{[Nal].[PhPr_Gly].[meL].[Nle].[dP].[Bn(4-Cl)_Gly]}$PEPTIDE1370,PEPTIDE1370,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1370{<a href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1370,PEPTIDE1370,1:R1-6:R2$$$","HallKierAlpha":"-5.75","HeavyAtomCount":"64","HeavyAtomMolWt":"828.05","ID":"1370","Ipc":"2.75e+42","Kappa1":"11.97799529","Kappa2":"22.74071393","Kappa3":"12.70577523","LabuteASA":"470.8396277","MDCK":"","MaxAbsEStateIndex":"17.25128495","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.25128495","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.46671939","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.111776403","MinPartialCharge":"-0.342506689","MolLogP":"6.5634","MolMR":"249.9984","MolWt":"891.554","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"4","NumAromaticHeterocycles":"0","NumAromaticRings":"4","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"340","Original_Name_in_Source_Literature":"1.6-37","PAMPA":"-10.0","PC1":"3.194892216","PC2":"5.308160657","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"129.496328","PEOE_VSA7":"83.67914741","PEOE_VSA8":"85.83851363","PEOE_VSA9":"48.63344183","PSA":"","Permeability":"-10.0","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"70.62","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.2071792","SMR_VSA10":"57.8164667","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"108.48043","SMR_VSA6":"32.96326564","SMR_VSA7":"118.3916871","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'PhPr_Gly', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[2.1692, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.60093989","SlogP_VSA2":"112.0775528","SlogP_VSA3":"48.00993259","SlogP_VSA4":"5.893957685","SlogP_VSA5":"165.4727771","SlogP_VSA6":"96.67869932","SlogP_VSA7":"7.84631747","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1370","TPSA":"139.44","T_PAMPA":"0.0","VSA_EState1":"567.9444079","VSA_EState10":"5.953143738","VSA_EState2":"90.78363272","VSA_EState3":"-9.945674761","VSA_EState4":"-7.698634075","VSA_EState5":"-32.82464538","VSA_EState6":"-58.29602819","VSA_EState7":"-53.66646501","VSA_EState8":"-53.72195912","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"4","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.156010562"},"row_index":236,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Mono39/\">[Mono39]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Bn(4-Cl)_Gly/\">[Bn(4-Cl)_Gly]</a>}$PEPTIDE1371,PEPTIDE1371,1:R1-6:R2$$$","HallKierAlpha":"-5.95","HeavyAtomCount":"64","HeavyAtomMolWt":"832.038","ID":"1371","Ipc":"4.68e+41","Kappa1":"12.27778388","Kappa2":"22.60159222","Kappa3":"12.612465","LabuteASA":"466.7782898","MDCK":"","MaxAbsEStateIndex":"17.1071523","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"17.1071523","MaxPartialCharge":"0.245647131","MinAbsEStateIndex":"1.446019394","MinAbsPartialCharge":"0.245647131","MinEStateIndex":"-7.054340061","MinPartialCharge":"-0.491752534","MolLogP":"6.0096","MolMR":"247.1724","MolWt":"893.526","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"4","NumAromaticHeterocycles":"0","NumAromaticRings":"4","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"340","Original_Name_in_Source_Literature":"1.6-38","PAMPA":"-9.41","PC1":"2.958465225","PC2":"4.739474008","PEOE_VSA1":"34.95612858","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"117.4114905","PEOE_VSA7":"77.45468353","PEOE_VSA8":"71.11710261","PEOE_VSA9":"60.61333574","PSA":"","Permeability":"-9.41","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"68.77","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"117.202525","SMR_VSA10":"57.8164667","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"95.73458022","SMR_VSA6":"39.52225088","SMR_VSA7":"112.8282356","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono39', 'meL', 'Nle', 'dP', 'Bn(4-Cl)_Gly']","Sequence_LogP":"[2.1692, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 1.9707]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"15.35648966","SlogP_VSA10":"0.0","SlogP_VSA11":"5.749511833","SlogP_VSA12":"11.60093989","SlogP_VSA2":"118.6365381","SlogP_VSA3":"41.63700769","SlogP_VSA4":"5.893957685","SlogP_VSA5":"150.7948836","SlogP_VSA6":"96.67869932","SlogP_VSA7":"7.84631747","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1371","TPSA":"148.67","T_PAMPA":"0.0","VSA_EState1":"552.0381632","VSA_EState10":"5.950506156","VSA_EState2":"90.5263227","VSA_EState3":"-9.794417011","VSA_EState4":"-5.240430552","VSA_EState5":"-34.68785293","VSA_EState6":"-57.1210658","VSA_EState7":"-42.01794462","VSA_EState8":"-58.87550336","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"4","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"1","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"1","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.167206327"},"row_index":237,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1378,PEPTIDE1378,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"54","HeavyAtomMolWt":"688.486","ID":"1378","Ipc":"9.38e+37","Kappa1":"8.76981518","Kappa2":"21.18521299","Kappa3":"12.25945196","LabuteASA":"411.4428458","MDCK":"","MaxAbsEStateIndex":"16.51243895","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.51243895","MaxPartialCharge":"0.245345185","MinAbsEStateIndex":"1.55398741","MinAbsPartialCharge":"0.245345185","MinEStateIndex":"-7.107131645","MinPartialCharge":"-0.381428301","MolLogP":"3.1505","MolMR":"205.8914","MolWt":"752.998","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"300","Original_Name_in_Source_Literature":"1.7-05","PAMPA":"-5.3","PC1":"3.954060021","PC2":"-0.649458076","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"63.51361969","PEOE_VSA7":"81.55958309","PEOE_VSA8":"101.2685115","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-5.3","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"52.45","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](C)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"121.3148007","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"121.5813123","SMR_VSA6":"52.57809581","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'Mono38', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1379,PEPTIDE1379,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"54","HeavyAtomMolWt":"688.486","ID":"1379","Ipc":"2.31e+38","Kappa1":"8.621804079","Kappa2":"22.39555644","Kappa3":"13.38618861","LabuteASA":"415.258618","MDCK":"","MaxAbsEStateIndex":"16.64181996","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.64181996","MaxPartialCharge":"0.245345185","MinAbsEStateIndex":"1.586112133","MinAbsPartialCharge":"0.245345185","MinEStateIndex":"-7.132850577","MinPartialCharge":"-0.38285076","MolLogP":"3.3965","MolMR":"208.0054","MolWt":"755.014","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"22","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"302","Original_Name_in_Source_Literature":"1.7-06","PAMPA":"-5.75","PC1":"3.759237403","PC2":"-0.192405706","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"77.21740393","PEOE_VSA7":"68.33476607","PEOE_VSA8":"93.81773488","PEOE_VSA9":"46.96787573","PSA":"","Permeability":"-5.75","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"5.91","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](CC(C)C)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"124.0563178","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"122.0602795","SMR_VSA6":"53.05706302","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 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20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"132.1713502","SlogP_VSA3":"39.87701096","SlogP_VSA4":"11.78791537","SlogP_VSA5":"184.9077838","SlogP_VSA6":"30.21209354","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1379","TPSA":"148.67","T_PAMPA":"19.57","VSA_EState1":"579.0480305","VSA_EState10":"0.0","VSA_EState2":"87.49587964","VSA_EState3":"-5.612229269","VSA_EState4":"-2.294736124","VSA_EState5":"-40.10297438","VSA_EState6":"-37.18968385","VSA_EState7":"-60.65222315","VSA_EState8":"-72.05527081","VSA_EState9":"-4.88679255","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"1","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.261095717"},"row_index":245,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1380,PEPTIDE1380,1:R1-6:R2$$$","HallKierAlpha":"-4.81","HeavyAtomCount":"55","HeavyAtomMolWt":"698.505","ID":"1380","Ipc":"4.32e+35","Kappa1":"9.313538086","Kappa2":"21.32490872","Kappa3":"12.61357384","LabuteASA":"411.937194","MDCK":"","MaxAbsEStateIndex":"16.48588723","MaxAbsPartialCharge":"0.343043683","MaxEStateIndex":"16.48588723","MaxPartialCharge":"0.245345185","MinAbsEStateIndex":"1.528750418","MinAbsPartialCharge":"0.245345185","MinEStateIndex":"-6.981982287","MinPartialCharge":"-0.343043683","MolLogP":"3.3616","MolMR":"210.2894","MolWt":"759.993","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"300","Original_Name_in_Source_Literature":"1.7-07","PAMPA":"-5.57","PC1":"4.982923431","PC2":"1.988174657","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"69.5560384","PEOE_VSA7":"80.8985707","PEOE_VSA8":"96.38405573","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-5.57","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"60.44","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](C)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"112.4656621","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"5.893957685","SMR_VSA5":"115.2083874","SMR_VSA6":"39.46012532","SMR_VSA7":"65.76962436","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[-0.2068000000000003, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1381,PEPTIDE1381,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"55","HeavyAtomMolWt":"696.509","ID":"1381","Ipc":"2.81e+41","Kappa1":"8.442141416","Kappa2":"23.18840173","Kappa3":"14.24466781","LabuteASA":"428.494839","MDCK":"","MaxAbsEStateIndex":"16.73088839","MaxAbsPartialCharge":"0.342747897","MaxEStateIndex":"16.73088839","MaxPartialCharge":"0.245345185","MinAbsEStateIndex":"1.610935646","MinAbsPartialCharge":"0.245345185","MinEStateIndex":"-7.245762126","MinPartialCharge":"-0.342747897","MolLogP":"4.9403","MolMR":"215.6544","MolWt":"767.069","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"23","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"308","Original_Name_in_Source_Literature":"1.7-08","PAMPA":"-6.71","PC1":"3.517923039","PC2":"0.402828851","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"96.81514585","PEOE_VSA7":"74.70769097","PEOE_VSA8":"101.8581265","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-6.71","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"13.19","R_RRCK":"","RingCount":"3","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CCCCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C1=O","SMR_VSA1":"124.8024891","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"148.0309463","SMR_VSA6":"39.46012532","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[0.8193999999999995, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'PhPr_Gly', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[-0.2068000000000003, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1385,PEPTIDE1385,1:R1-6:R2$$$","HallKierAlpha":"-4.49","HeavyAtomCount":"56","HeavyAtomMolWt":"714.504","ID":"1385","Ipc":"1.44e+39","Kappa1":"9.201058546","Kappa2":"21.71472235","Kappa3":"12.50866162","LabuteASA":"424.020569","MDCK":"","MaxAbsEStateIndex":"16.5225116","MaxAbsPartialCharge":"0.343043685","MaxEStateIndex":"16.5225116","MaxPartialCharge":"0.245345185","MinAbsEStateIndex":"1.564237143","MinAbsPartialCharge":"0.245345185","MinEStateIndex":"-7.127729527","MinPartialCharge":"-0.343043685","MolLogP":"2.7364","MolMR":"212.7794","MolWt":"780.024","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"310","Original_Name_in_Source_Literature":"1.7-12","PAMPA":"-6.22","PC1":"3.834688066","PC2":"-0.189902237","PEOE_VSA1":"35.11917536","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"63.51361969","PEOE_VSA7":"75.66562541","PEOE_VSA8":"114.370978","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-6.22","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"88.06","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCN2CCCC2=O)C(=O)[C@H](C)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"122.7432335","SMR_VSA10":"41.35025811","SMR_VSA2":"0.0","SMR_VSA3":"35.11917536","SMR_VSA4":"5.893957685","SMR_VSA5":"127.9542372","SMR_VSA6":"52.45384469","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 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'Mono38', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[0.8193999999999995, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1391,PEPTIDE1391,1:R1-6:R2$$$","HallKierAlpha":"-4.81","HeavyAtomCount":"58","HeavyAtomMolWt":"734.538","ID":"1391","Ipc":"1.7999999999999997e+41","Kappa1":"9.546708755","Kappa2":"22.95278952","Kappa3":"13.65137374","LabuteASA":"439.4618433","MDCK":"","MaxAbsEStateIndex":"16.83047229","MaxAbsPartialCharge":"0.342747895","MaxEStateIndex":"16.83047229","MaxPartialCharge":"0.245345185","MinAbsEStateIndex":"1.591053529","MinAbsPartialCharge":"0.245345185","MinEStateIndex":"-7.159136404","MinPartialCharge":"-0.342747895","MolLogP":"4.3878","MolMR":"224.0704","MolWt":"802.074","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"21","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"318","Original_Name_in_Source_Literature":"1.7-18","PAMPA":"-5.68","PC1":"3.80373755","PC2":"2.133882813","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"83.25982264","PEOE_VSA7":"86.31356117","PEOE_VSA8":"104.6086071","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-5.68","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"8.96","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"120.6902134","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"11.78791537","SMR_VSA5":"128.4332044","SMR_VSA6":"39.46012532","SMR_VSA7":"65.76962436","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 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href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1392,PEPTIDE1392,1:R1-6:R2$$$","HallKierAlpha":"-4.74","HeavyAtomCount":"59","HeavyAtomMolWt":"744.553","ID":"1392","Ipc":"3.4600000000000004e+42","Kappa1":"9.503821609","Kappa2":"23.74981799","Kappa3":"14.49455365","LabuteASA":"450.8220489","MDCK":"","MaxAbsEStateIndex":"16.95356605","MaxAbsPartialCharge":"0.342747897","MaxEStateIndex":"16.95356605","MaxPartialCharge":"0.245345185","MinAbsEStateIndex":"1.60898157","MinAbsPartialCharge":"0.245345185","MinEStateIndex":"-7.23730101","MinPartialCharge":"-0.342747897","MolLogP":"5.3829","MolMR":"230.8924","MolWt":"815.113","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"22","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"324","Original_Name_in_Source_Literature":"1.7-19","PAMPA":"-10.0","PC1":"3.308915698","PC2":"1.695054697","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"107.4294975","PEOE_VSA7":"86.64406737","PEOE_VSA8":"95.00433376","PEOE_VSA9":"37.66737338","PSA":"","Permeability":"-10.0","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"32.77","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"124.8024891","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"134.8061293","SMR_VSA6":"39.46012532","SMR_VSA7":"71.55109006","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 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'Mono41', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[0.8193999999999995, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 40.620000000000005, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1399,PEPTIDE1399,1:R1-6:R2$$$","HallKierAlpha":"-5.59","HeavyAtomCount":"61","HeavyAtomMolWt":"770.571","ID":"1399","Ipc":"2.89e+42","Kappa1":"10.59827104","Kappa2":"23.41900139","Kappa3":"13.70953908","LabuteASA":"452.6141702","MDCK":"","MaxAbsEStateIndex":"16.96004838","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.96004838","MaxPartialCharge":"0.245471972","MinAbsEStateIndex":"1.566813396","MinAbsPartialCharge":"0.245471972","MinEStateIndex":"-7.095200082","MinPartialCharge":"-0.342506689","MolLogP":"4.5844","MolMR":"234.7614","MolWt":"836.091","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"1","NumAromaticRings":"3","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"328","Original_Name_in_Source_Literature":"1.7-26","PAMPA":"-6.4","PC1":"4.04372721","PC2":"3.546358438","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"99.76813194","PEOE_VSA7":"79.61013008","PEOE_VSA8":"101.3862221","PEOE_VSA9":"43.1504076","PSA":"","Permeability":"-6.4","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"10.06","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"117.9486963","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"5.893957685","SMR_VSA5":"114.7294201","SMR_VSA6":"39.46012532","SMR_VSA7":"101.5451694","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[1.0159999999999998, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1400,PEPTIDE1400,1:R1-6:R2$$$","HallKierAlpha":"-5.3","HeavyAtomCount":"61","HeavyAtomMolWt":"772.563","ID":"1400","Ipc":"3.99e+41","Kappa1":"10.547737","Kappa2":"23.06348217","Kappa3":"13.09716052","LabuteASA":"453.9025504","MDCK":"","MaxAbsEStateIndex":"16.87729684","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.87729684","MaxPartialCharge":"0.245541622","MinAbsEStateIndex":"1.488112413","MinAbsPartialCharge":"0.245541622","MinEStateIndex":"-7.107754896","MinPartialCharge":"-0.38285076","MolLogP":"4.7463","MolMR":"236.2024","MolWt":"839.091","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"330","Original_Name_in_Source_Literature":"1.7-27","PAMPA":"-7.74","PC1":"3.629302081","PC2":"2.597304863","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"105.8105506","PEOE_VSA7":"72.40378341","PEOE_VSA8":"90.59534989","PEOE_VSA9":"56.56318563","PSA":"","Permeability":"-7.74","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"27.42","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"124.0563178","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"108.3564952","SMR_VSA6":"53.05706302","SMR_VSA7":"83.63592748","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 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20.31]","SlogP_VSA1":"15.35648966","SlogP_VSA10":"0.0","SlogP_VSA11":"5.749511833","SlogP_VSA12":"0.0","SlogP_VSA2":"125.1333977","SlogP_VSA3":"41.51307291","SlogP_VSA4":"5.893957685","SlogP_VSA5":"170.3945261","SlogP_VSA6":"90.63628061","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1402","TPSA":"148.67","T_PAMPA":"0.03","VSA_EState1":"592.2482786","VSA_EState10":"0.0","VSA_EState2":"89.62823282","VSA_EState3":"-5.336249569","VSA_EState4":"-5.025804344","VSA_EState5":"-35.68466514","VSA_EState6":"-56.63308539","VSA_EState7":"-59.88884252","VSA_EState8":"-60.55786449","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"3","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"1","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.19244488"},"row_index":268,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1403,PEPTIDE1403,1:R1-6:R2$$$","HallKierAlpha":"-5.26","HeavyAtomCount":"62","HeavyAtomMolWt":"780.586","ID":"1403","Ipc":"7.450000000000001e+44","Kappa1":"10.31350537","Kappa2":"23.81829322","Kappa3":"13.36969377","LabuteASA":"467.1387714","MDCK":"","MaxAbsEStateIndex":"17.15409731","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.15409731","MaxPartialCharge":"0.245461164","MinAbsEStateIndex":"1.531208243","MinAbsPartialCharge":"0.245461164","MinEStateIndex":"-7.220666445","MinPartialCharge":"-0.342506689","MolLogP":"6.2901","MolMR":"243.8514","MolWt":"851.146","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"21","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"336","Original_Name_in_Source_Literature":"1.7-30","PAMPA":"-8.11","PC1":"3.32603913","PC2":"3.162290997","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"125.4082926","PEOE_VSA7":"78.77670831","PEOE_VSA8":"98.63574155","PEOE_VSA9":"40.40889049","PSA":"","Permeability":"-8.11","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"53.26","R_RRCK":"","RingCount":"5","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CCCCc2ccccc2)CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C1=O","SMR_VSA1":"124.8024891","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"134.3271621","SMR_VSA6":"39.46012532","SMR_VSA7":"83.63592748","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[2.1692, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono40/\">[Mono40]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Bn_Gly/\">[Bn_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1406,PEPTIDE1406,1:R1-6:R2$$$","HallKierAlpha":"-6.04","HeavyAtomCount":"64","HeavyAtomMolWt":"804.608","ID":"1406","Ipc":"2.76e+43","Kappa1":"11.30728371","Kappa2":"23.05445982","Kappa3":"12.79020907","LabuteASA":"471.1162151","MDCK":"","MaxAbsEStateIndex":"17.20734061","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.20734061","MaxPartialCharge":"0.24576311","MinAbsEStateIndex":"1.475055548","MinAbsPartialCharge":"0.24576311","MinEStateIndex":"-7.077474441","MinPartialCharge":"-0.342506689","MolLogP":"6.3001","MolMR":"249.6054","MolWt":"871.136","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"4","NumAromaticHeterocycles":"0","NumAromaticRings":"4","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"340","Original_Name_in_Source_Literature":"1.7-33","PAMPA":"-8.95","PC1":"3.766671356","PC2":"4.218517564","PEOE_VSA1":"30.21926563","PEOE_VSA10":"30.56842956","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"136.0226442","PEOE_VSA7":"77.9672349","PEOE_VSA8":"83.55739743","PEOE_VSA9":"43.5073407","PSA":"","Permeability":"-8.95","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"42.97","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"119.3194549","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"114.8533549","SMR_VSA6":"32.96326564","SMR_VSA7":"119.4114725","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[2.1692, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1408,PEPTIDE1408,1:R1-6:R2$$$","HallKierAlpha":"-5.3","HeavyAtomCount":"64","HeavyAtomMolWt":"808.596","ID":"1408","Ipc":"3.27e+44","Kappa1":"10.93268696","Kappa2":"23.57733375","Kappa3":"13.14094905","LabuteASA":"477.6114276","MDCK":"","MaxAbsEStateIndex":"17.41051325","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"17.41051325","MaxPartialCharge":"0.245470867","MinAbsEStateIndex":"1.541473778","MinAbsPartialCharge":"0.245470867","MinEStateIndex":"-7.259190081","MinPartialCharge":"-0.381428301","MolLogP":"5.5265","MolMR":"247.8694","MolWt":"879.156","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"346","Original_Name_in_Source_Literature":"1.7-35","PAMPA":"-7.61","PC1":"2.491092983","PC2":"2.205154539","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"105.8105506","PEOE_VSA7":"91.0435909","PEOE_VSA8":"106.2706778","PEOE_VSA9":"45.89192472","PSA":"","Permeability":"-7.61","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"27.33","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"129.539352","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"121.102345","SMR_VSA6":"52.57809581","SMR_VSA7":"83.63592748","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono38', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[2.1692, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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'3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[2.1692, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"123.558391","SlogP_VSA3":"47.88599781","SlogP_VSA4":"5.893957685","SlogP_VSA5":"177.3287362","SlogP_VSA6":"96.93965233","SlogP_VSA7":"2.823684157","SlogP_VSA8":"10.77244843","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1409","TPSA":"152.33","T_PAMPA":"0.3","VSA_EState1":"603.392039","VSA_EState10":"0.0","VSA_EState2":"93.69514396","VSA_EState3":"-8.655924673","VSA_EState4":"-7.57185716","VSA_EState5":"-33.52016447","VSA_EState6":"-54.47825332","VSA_EState7":"-69.69854631","VSA_EState8":"-54.91243703","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"1","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"5","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"3","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"1","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.144690342"},"row_index":275,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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'PhPr_Gly', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[2.1692, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Mono39/\">[Mono39]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1411,PEPTIDE1411,1:R1-6:R2$$$","HallKierAlpha":"-6.24","HeavyAtomCount":"66","HeavyAtomMolWt":"832.618","ID":"1411","Ipc":"4.03e+45","Kappa1":"11.70683981","Kappa2":"24.3315888","Kappa3":"13.64972135","LabuteASA":"485.4046435","MDCK":"","MaxAbsEStateIndex":"17.23264232","MaxAbsPartialCharge":"0.491752534","MaxEStateIndex":"17.23264232","MaxPartialCharge":"0.24558068","MinAbsEStateIndex":"1.505191602","MinAbsPartialCharge":"0.24558068","MinEStateIndex":"-7.154768986","MinPartialCharge":"-0.491752534","MolLogP":"6.1789","MolMR":"256.2634","MolWt":"901.162","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"4","NumAromaticHeterocycles":"0","NumAromaticRings":"4","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"352","Original_Name_in_Source_Literature":"1.7-38","PAMPA":"-7.95","PC1":"2.848380796","PC2":"3.800884849","PEOE_VSA1":"34.95612858","PEOE_VSA10":"36.38006695","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"123.9378068","PEOE_VSA7":"84.48862082","PEOE_VSA8":"77.06053775","PEOE_VSA9":"59.24257718","PSA":"","Permeability":"-7.95","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"51.86","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"126.7978349","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"108.3564952","SMR_VSA6":"46.01911056","SMR_VSA7":"113.848021","SMR_VSA8":"0","SMR_VSA9":"5.749511833","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 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href=\"/monomers/Mono43/\">[Mono43]</a>}$PEPTIDE1413,PEPTIDE1413,1:R1-6:R2$$$","HallKierAlpha":"-5.79","HeavyAtomCount":"66","HeavyAtomMolWt":"834.614","ID":"1413","Ipc":"7.990000000000001e+46","Kappa1":"11.3773407","Kappa2":"24.11600405","Kappa3":"13.4065218","LabuteASA":"490.1891507","MDCK":"","MaxAbsEStateIndex":"17.35690848","MaxAbsPartialCharge":"0.342621218","MaxEStateIndex":"17.35690848","MaxPartialCharge":"0.245462231","MinAbsEStateIndex":"1.556098537","MinAbsPartialCharge":"0.245462231","MinEStateIndex":"-7.279787963","MinPartialCharge":"-0.342621218","MolLogP":"5.1124","MolMR":"254.7574","MolWt":"906.182","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"356","Original_Name_in_Source_Literature":"1.7-40","PAMPA":"-7.28","PC1":"2.45459862","PC2":"2.652247681","PEOE_VSA1":"35.11917536","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"105.8105506","PEOE_VSA7":"85.14963321","PEOE_VSA8":"119.3731444","PEOE_VSA9":"40.40889049","PSA":"","Permeability":"-7.28","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"10.39","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCN2CCCC2=O)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(CCCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"130.9677848","SMR_VSA10":"52.12270653","SMR_VSA2":"0.0","SMR_VSA3":"35.11917536","SMR_VSA4":"5.893957685","SMR_VSA5":"127.4752699","SMR_VSA6":"52.45384469","SMR_VSA7":"83.63592748","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono41', 'meL', 'Nle', 'dP', 'Mono43']","Sequence_LogP":"[2.1692, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 2.14]","Sequence_TPSA":"[29.1, 40.620000000000005, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono1/\">[Mono1]</a>}$PEPTIDE1420,PEPTIDE1420,1:R1-6:R2$$$","HallKierAlpha":"-5.21","HeavyAtomCount":"55","HeavyAtomMolWt":"706.481","ID":"1420","Ipc":"5.68e+33","Kappa1":"10.01442017","Kappa2":"18.89711665","Kappa3":"10.51482425","LabuteASA":"399.998746","MDCK":"","MaxAbsEStateIndex":"16.42279478","MaxAbsPartialCharge":"0.453595475","MaxEStateIndex":"16.42279478","MaxPartialCharge":"0.245647149","MinAbsEStateIndex":"1.491159051","MinAbsPartialCharge":"0.245647149","MinEStateIndex":"-6.900481126","MinPartialCharge":"-0.453595475","MolLogP":"2.2676","MolMR":"202.3114","MolWt":"761.921","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"298","Original_Name_in_Source_Literature":"1.8-07","PAMPA":"-6.27","PC1":"4.975493543","PC2":"0.776681554","PEOE_VSA1":"39.69299154","PEOE_VSA10":"26.81308699","PEOE_VSA11":"14.32270782","PEOE_VSA12":"42.18812396","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"45.38636357","PEOE_VSA7":"73.86463342","PEOE_VSA8":"85.41798728","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-6.27","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"86.38","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](C)NC(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"113.7148366","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"5.893957685","SMR_VSA5":"102.5864723","SMR_VSA6":"39.70831122","SMR_VSA7":"53.68478694","SMR_VSA8":"0","SMR_VSA9":"11.49902367","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-1.48e-16","BCUT2D_CHGLO":"-2.712708762","BCUT2D_LOGPHI":"-9.84e-17","BCUT2D_LOGPLOW":"-2.859675821","BCUT2D_MRHI":"1.31e-16","BCUT2D_MRLOW":"-1.134995588","BCUT2D_MWHI":"2.02e-15","BCUT2D_MWLOW":"-0.249291267","BalabanJ":"2.554362842","BertzCT":"4453.602774","CHCl3_3DPSA":"142.0","Caco2":"","Chi0":"95.40037653","Chi0n":"88.89648149","Chi0v":"27.89648149","Chi1":"51.52983974","Chi1n":"44.960591","Chi1v":"14.56616381","Chi2n":"9.755723122","Chi2v":"9.755723122","Chi3n":"6.006852451","Chi3v":"6.006852451","Chi4n":"3.741986837","Chi4v":"3.741986837","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"298.1536706","EState_VSA10":"32.98037239","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"9.720841475","EState_VSA9":"55.45492953","ExactMolWt":"803.4581619","FpDensityMorgan1":"0.982758621","FpDensityMorgan2":"1.793103448","FpDensityMorgan3":"2.586206897","FractionCSP3":"0.604651163","H2O_3DPSA":"143.0","HELM":"PEPTIDE1431{L.[3-pyridylethyl_Gly].[meL].[Nle].[dP].[Mono1]}$PEPTIDE1431,PEPTIDE1431,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1431{<a href=\"/monomers/L/\">L</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono1/\">[Mono1]</a>}$PEPTIDE1431,PEPTIDE1431,1:R1-6:R2$$$","HallKierAlpha":"-5.21","HeavyAtomCount":"58","HeavyAtomMolWt":"742.514","ID":"1431","Ipc":"7.419999999999999e+37","Kappa1":"10.20532031","Kappa2":"20.46855199","Kappa3":"11.46628639","LabuteASA":"427.5233954","MDCK":"","MaxAbsEStateIndex":"16.7734468","MaxAbsPartialCharge":"0.453595475","MaxEStateIndex":"16.7734468","MaxPartialCharge":"0.245647149","MinAbsEStateIndex":"1.5819511","MinAbsPartialCharge":"0.245647149","MinEStateIndex":"-7.077635243","MinPartialCharge":"-0.453595475","MolLogP":"3.2938","MolMR":"216.0924","MolWt":"804.002","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"316","Original_Name_in_Source_Literature":"1.8-18","PAMPA":"-5.3","PC1":"3.783264901","PC2":"0.919581715","PEOE_VSA1":"39.69299154","PEOE_VSA10":"26.81308699","PEOE_VSA11":"14.32270782","PEOE_VSA12":"42.18812396","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"59.0901478","PEOE_VSA7":"79.27962389","PEOE_VSA8":"93.64253862","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-5.3","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"38.78","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"121.939388","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.20324415","SMR_VSA4":"11.78791537","SMR_VSA5":"115.8112894","SMR_VSA6":"39.70831122","SMR_VSA7":"53.68478694","SMR_VSA8":"0","SMR_VSA9":"11.49902367","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[0.8193999999999995, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'Mono40', 'meL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[0.8193999999999995, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono1/\">[Mono1]</a>}$PEPTIDE1448,PEPTIDE1448,1:R1-6:R2$$$","HallKierAlpha":"-5.7","HeavyAtomCount":"64","HeavyAtomMolWt":"816.572","ID":"1448","Ipc":"1.91e+42","Kappa1":"11.62852112","Kappa2":"21.31905793","Kappa3":"11.3248512","LabuteASA":"465.6729796","MDCK":"","MaxAbsEStateIndex":"17.35348776","MaxAbsPartialCharge":"0.453595475","MaxEStateIndex":"17.35348776","MaxPartialCharge":"0.245647149","MinAbsEStateIndex":"1.492406326","MinAbsPartialCharge":"0.245647149","MinEStateIndex":"-7.17768892","MinPartialCharge":"-0.453595475","MolLogP":"4.4325","MolMR":"239.8914","MolWt":"881.084","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"4","NumAliphaticRings":"4","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"0","NumAromaticRings":"3","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"344","Original_Name_in_Source_Literature":"1.8-35","PAMPA":"-7.16","PC1":"2.537862124","PC2":"1.110724196","PEOE_VSA1":"44.42985449","PEOE_VSA10":"26.81308699","PEOE_VSA11":"14.32270782","PEOE_VSA12":"42.18812396","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"81.64087582","PEOE_VSA7":"84.00965361","PEOE_VSA8":"95.30460936","PEOE_VSA9":"45.89192472","PSA":"","Permeability":"-7.16","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"33.37","R_RRCK":"","RingCount":"7","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"130.7885266","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"108.48043","SMR_VSA6":"52.82628171","SMR_VSA7":"71.55109006","SMR_VSA8":"0","SMR_VSA9":"11.49902367","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono38', 'meL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[2.1692, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1455,PEPTIDE1455,1:R1-6:R2$$$","HallKierAlpha":"-3.97","HeavyAtomCount":"52","HeavyAtomMolWt":"666.46","ID":"1455","Ipc":"1.21e+36","Kappa1":"8.31524575","Kappa2":"20.31836117","Kappa3":"12.04435271","LabuteASA":"397.8954948","MDCK":"","MaxAbsEStateIndex":"16.41663319","MaxAbsPartialCharge":"0.361077338","MaxEStateIndex":"16.41663319","MaxPartialCharge":"0.245702169","MinAbsEStateIndex":"2.313419698","MinAbsPartialCharge":"0.245702169","MinEStateIndex":"-7.038826356","MinPartialCharge":"-0.361077338","MolLogP":"3.2779","MolMR":"196.3754","MolWt":"729.964","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"1","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"21","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"292","Original_Name_in_Source_Literature":"1.9-02","PAMPA":"-5.0","PC1":"4.304123781","PC2":"-0.069850775","PEOE_VSA1":"34.74236057","PEOE_VSA10":"42.02260497","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"71.75971557","PEOE_VSA7":"50.50443199","PEOE_VSA8":"100.9228177","PEOE_VSA9":"28.07206349","PSA":"","Permeability":"-5.0","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"17.14","R_RRCK":"","RingCount":"3","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(Cc2cc(CC(C)C)on2)CC(=O)N[C@@H](C)C1=O","SMR_VSA1":"119.7302741","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.37592889","SMR_VSA4":"11.78791537","SMR_VSA5":"142.2609234","SMR_VSA6":"32.96326564","SMR_VSA7":"17.49659412","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[0.8193999999999995, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[0.8193999999999995, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1462,PEPTIDE1462,1:R1-6:R2$$$","HallKierAlpha":"-4.75","HeavyAtomCount":"56","HeavyAtomMolWt":"714.504","ID":"1462","Ipc":"1.39e+37","Kappa1":"9.413265306","Kappa2":"20.96374362","Kappa3":"12.37654411","LabuteASA":"420.2227048","MDCK":"","MaxAbsEStateIndex":"16.49090369","MaxAbsPartialCharge":"0.361077338","MaxEStateIndex":"16.49090369","MaxPartialCharge":"0.245702169","MinAbsEStateIndex":"1.598045262","MinAbsPartialCharge":"0.245702169","MinEStateIndex":"-7.03036524","MinPartialCharge":"-0.361077338","MolLogP":"3.7205","MolMR":"211.6134","MolWt":"778.008","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"308","Original_Name_in_Source_Literature":"1.9-09","PAMPA":"-5.32","PC1":"4.607664753","PC2":"1.370201812","PEOE_VSA1":"34.74236057","PEOE_VSA10":"42.02260497","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"82.37406718","PEOE_VSA7":"62.44080839","PEOE_VSA8":"94.06902491","PEOE_VSA9":"34.92585627","PSA":"","Permeability":"-5.32","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"9.44","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](C)NC(=O)CN(Cc2cc(CC(C)C)on2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"119.7302741","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.37592889","SMR_VSA4":"11.78791537","SMR_VSA5":"129.0361064","SMR_VSA6":"32.96326564","SMR_VSA7":"53.27213915","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'PhPr_Gly', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[-0.2068000000000003, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'Bn_Gly', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[0.8193999999999995, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1469,PEPTIDE1469,1:R1-6:R2$$$","HallKierAlpha":"-4.01","HeavyAtomCount":"57","HeavyAtomMolWt":"730.503","ID":"1469","Ipc":"3.3899999999999996e+41","Kappa1":"9.168177614","Kappa2":"21.66434752","Kappa3":"13.25877627","LabuteASA":"435.8928003","MDCK":"","MaxAbsEStateIndex":"16.95472544","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.95472544","MaxPartialCharge":"0.245702169","MinAbsEStateIndex":"2.442380222","MinAbsPartialCharge":"0.245702169","MinEStateIndex":"-7.254504109","MinPartialCharge":"-0.381428301","MolLogP":"3.5405","MolMR":"214.1744","MolWt":"800.055","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"1","NumAromaticRings":"1","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"21","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"320","Original_Name_in_Source_Literature":"1.9-16","PAMPA":"-5.05","PC1":"2.291707364","PC2":"-0.749151221","PEOE_VSA1":"39.47922352","PEOE_VSA10":"42.02260497","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"65.86575788","PEOE_VSA7":"68.18630505","PEOE_VSA8":"116.7823053","PEOE_VSA9":"33.55509771","PSA":"","Permeability":"-5.05","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"22.54","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2cc(CC(C)C)on2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"132.6916884","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"35.37592889","SMR_VSA4":"23.57583074","SMR_VSA5":"142.2609234","SMR_VSA6":"46.08123612","SMR_VSA7":"17.49659412","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'Mono38', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[0.8193999999999995, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[0.8193999999999995, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Mono41/\">[Mono41]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1476,PEPTIDE1476,1:R1-6:R2$$$","HallKierAlpha":"-4.5","HeavyAtomCount":"59","HeavyAtomMolWt":"756.521","ID":"1476","Ipc":"2.86e+42","Kappa1":"9.59585544","Kappa2":"22.20021454","Kappa3":"13.50580607","LabuteASA":"448.4705235","MDCK":"","MaxAbsEStateIndex":"16.90112067","MaxAbsPartialCharge":"0.361077338","MaxEStateIndex":"16.90112067","MaxPartialCharge":"0.245702169","MinAbsEStateIndex":"1.80552084","MinAbsPartialCharge":"0.245702169","MinEStateIndex":"-7.275101991","MinPartialCharge":"-0.361077338","MolLogP":"3.1264","MolMR":"221.0624","MolWt":"827.081","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"16","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"1","NumAromaticRings":"1","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"16","NumRadicalElectrons":"0","NumRotatableBonds":"23","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"330","Original_Name_in_Source_Literature":"1.9-23","PAMPA":"-5.71","PC1":"2.492100363","PC2":"-0.211131124","PEOE_VSA1":"39.6422703","PEOE_VSA10":"42.02260497","PEOE_VSA11":"2.823684157","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"65.86575788","PEOE_VSA7":"62.29234737","PEOE_VSA8":"129.8847718","PEOE_VSA9":"28.07206349","PSA":"","Permeability":"-5.71","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"60.72","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCN2CCCC2=O)C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2cc(CC(C)C)on2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"134.1201212","SMR_VSA10":"41.35025811","SMR_VSA2":"0.0","SMR_VSA3":"40.27583862","SMR_VSA4":"17.68187306","SMR_VSA5":"148.6338483","SMR_VSA6":"45.95698501","SMR_VSA7":"17.49659412","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', 'Mono41', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[0.8193999999999995, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 40.620000000000005, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1479,PEPTIDE1479,1:R1-6:R2$$$","HallKierAlpha":"-5.6","HeavyAtomCount":"61","HeavyAtomMolWt":"776.555","ID":"1479","Ipc":"1.01e+41","Kappa1":"10.76656694","Kappa2":"22.30228249","Kappa3":"13.1940528","LabuteASA":"449.5394753","MDCK":"","MaxAbsEStateIndex":"16.92746949","MaxAbsPartialCharge":"0.361077338","MaxEStateIndex":"16.92746949","MaxPartialCharge":"0.245702169","MinAbsEStateIndex":"1.669763112","MinAbsPartialCharge":"0.245702169","MinEStateIndex":"-7.065418429","MinPartialCharge":"-0.361077338","MolLogP":"3.9482","MolMR":"229.2634","MolWt":"841.067","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"2","NumAromaticRings":"3","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"330","Original_Name_in_Source_Literature":"1.9-26","PAMPA":"-5.57","PC1":"4.020643133","PC2":"3.401440535","PEOE_VSA1":"34.74236057","PEOE_VSA10":"42.02260497","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.75120163","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"88.41648589","PEOE_VSA7":"60.82186157","PEOE_VSA8":"108.6754646","PEOE_VSA9":"40.40889049","PSA":"","Permeability":"-5.57","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"11.95","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2cc(CC(C)C)on2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"121.1010327","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"40.35990741","SMR_VSA4":"11.78791537","SMR_VSA5":"122.1842143","SMR_VSA6":"32.96326564","SMR_VSA7":"83.26621848","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1480,PEPTIDE1480,1:R1-6:R2$$$","HallKierAlpha":"-5.31","HeavyAtomCount":"61","HeavyAtomMolWt":"778.547","ID":"1480","Ipc":"1.1300000000000001e+42","Kappa1":"10.71346154","Kappa2":"21.98014057","Kappa3":"12.61915421","LabuteASA":"450.8278555","MDCK":"","MaxAbsEStateIndex":"16.84471795","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"16.84471795","MaxPartialCharge":"0.245702169","MinAbsEStateIndex":"1.473167702","MinAbsPartialCharge":"0.245702169","MinEStateIndex":"-7.077973243","MinPartialCharge":"-0.38285076","MolLogP":"4.1101","MolMR":"230.7044","MolWt":"844.067","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"1","NumAromaticRings":"3","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"21","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"332","Original_Name_in_Source_Literature":"1.9-27","PAMPA":"-6.9","PC1":"3.637891228","PC2":"2.563171002","PEOE_VSA1":"39.47922352","PEOE_VSA10":"42.02260497","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"94.4589046","PEOE_VSA7":"53.6155149","PEOE_VSA8":"97.88459237","PEOE_VSA9":"53.82166852","PSA":"","Permeability":"-6.9","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"11.95","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2cc(CC(C)C)on2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"127.2086542","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"35.37592889","SMR_VSA4":"11.78791537","SMR_VSA5":"115.8112894","SMR_VSA6":"46.56020334","SMR_VSA7":"65.35697657","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[2.1692, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1483,PEPTIDE1483,1:R1-6:R2$$$","HallKierAlpha":"-5.27","HeavyAtomCount":"62","HeavyAtomMolWt":"786.57","ID":"1483","Ipc":"4.01e+43","Kappa1":"10.46911652","Kappa2":"22.71298907","Kappa3":"12.88630866","LabuteASA":"464.0640765","MDCK":"","MaxAbsEStateIndex":"17.12151843","MaxAbsPartialCharge":"0.361077338","MaxEStateIndex":"17.12151843","MaxPartialCharge":"0.245702169","MinAbsEStateIndex":"1.516263531","MinAbsPartialCharge":"0.245702169","MinEStateIndex":"-7.190884792","MinPartialCharge":"-0.361077338","MolLogP":"5.6539","MolMR":"238.3534","MolWt":"856.122","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"1","NumAromaticRings":"3","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"22","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"338","Original_Name_in_Source_Literature":"1.9-30","PAMPA":"-7.96","PC1":"3.303625002","PC2":"3.046105175","PEOE_VSA1":"34.74236057","PEOE_VSA10":"42.02260497","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"114.0566465","PEOE_VSA7":"59.9884398","PEOE_VSA8":"105.924984","PEOE_VSA9":"37.66737338","PSA":"","Permeability":"-7.96","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"38.44","R_RRCK":"","RingCount":"5","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(Cc2cc(CC(C)C)on2)CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C1=O","SMR_VSA1":"127.9548255","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"35.37592889","SMR_VSA4":"11.78791537","SMR_VSA5":"141.7819562","SMR_VSA6":"32.96326564","SMR_VSA7":"65.35697657","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[2.1692, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1486,PEPTIDE1486,1:R1-6:R2$$$","HallKierAlpha":"-6.05","HeavyAtomCount":"64","HeavyAtomMolWt":"810.592","ID":"1486","Ipc":"1.38e+43","Kappa1":"11.48048715","Kappa2":"22.03391018","Kappa3":"12.35193598","LabuteASA":"468.0415203","MDCK":"","MaxAbsEStateIndex":"17.17476173","MaxAbsPartialCharge":"0.361077338","MaxEStateIndex":"17.17476173","MaxPartialCharge":"0.24576311","MinAbsEStateIndex":"1.460110837","MinAbsPartialCharge":"0.24576311","MinEStateIndex":"-7.047692788","MinPartialCharge":"-0.361077338","MolLogP":"5.6639","MolMR":"244.1074","MolWt":"876.112","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"1","NumAromaticRings":"4","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"342","Original_Name_in_Source_Literature":"1.9-33","PAMPA":"-7.88","PC1":"3.704227952","PC2":"4.161930321","PEOE_VSA1":"34.74236057","PEOE_VSA10":"48.51946466","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"124.6709981","PEOE_VSA7":"59.17896639","PEOE_VSA8":"90.84663991","PEOE_VSA9":"40.76582359","PSA":"","Permeability":"-7.88","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"48.53","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2cc(CC(C)C)on2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"122.4717912","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"35.37592889","SMR_VSA4":"11.78791537","SMR_VSA5":"122.308149","SMR_VSA6":"26.46640595","SMR_VSA7":"101.1325216","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[2.1692, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1487,PEPTIDE1487,1:R1-6:R2$$$","HallKierAlpha":"-5.27","HeavyAtomCount":"64","HeavyAtomMolWt":"810.592","ID":"1487","Ipc":"1.76e+46","Kappa1":"10.78287315","Kappa2":"22.56967487","Kappa3":"12.71207896","LabuteASA":"478.5980706","MDCK":"","MaxAbsEStateIndex":"17.46247333","MaxAbsPartialCharge":"0.361077338","MaxEStateIndex":"17.46247333","MaxPartialCharge":"0.245702169","MinAbsEStateIndex":"1.542570733","MinAbsPartialCharge":"0.245702169","MinEStateIndex":"-7.268891899","MinPartialCharge":"-0.361077338","MolLogP":"6.044","MolMR":"245.4034","MolWt":"882.16","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"1","NumAromaticRings":"3","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"348","Original_Name_in_Source_Literature":"1.9-34","PAMPA":"-10.0","PC1":"2.217761055","PC2":"2.924788434","PEOE_VSA1":"34.74236057","PEOE_VSA10":"42.02260497","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"113.5776793","PEOE_VSA7":"72.25532238","PEOE_VSA8":"108.6665011","PEOE_VSA9":"37.66737338","PSA":"","Permeability":"-10.0","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"58.92","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2cc(CC(C)C)on2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"130.6963426","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"35.37592889","SMR_VSA4":"17.68187306","SMR_VSA5":"147.6759139","SMR_VSA6":"32.96326564","SMR_VSA7":"65.35697657","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono44']","Sequence_LogP":"[2.1692, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.5038]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1488,PEPTIDE1488,1:R1-6:R2$$$","HallKierAlpha":"-5.31","HeavyAtomCount":"64","HeavyAtomMolWt":"814.58","ID":"1488","Ipc":"3.2e+44","Kappa1":"11.09401629","Kappa2":"22.54211438","Kappa3":"12.6935111","LabuteASA":"474.5367327","MDCK":"","MaxAbsEStateIndex":"17.37793437","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"17.37793437","MaxPartialCharge":"0.245702169","MinAbsEStateIndex":"1.526529067","MinAbsPartialCharge":"0.245702169","MinEStateIndex":"-7.229408428","MinPartialCharge":"-0.381428301","MolLogP":"4.8903","MolMR":"242.3714","MolWt":"884.132","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"1","NumAromaticRings":"3","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"348","Original_Name_in_Source_Literature":"1.9-35","PAMPA":"-6.64","PC1":"2.443187897","PC2":"2.200000874","PEOE_VSA1":"39.47922352","PEOE_VSA10":"42.02260497","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"94.4589046","PEOE_VSA7":"72.25532238","PEOE_VSA8":"113.5599203","PEOE_VSA9":"43.1504076","PSA":"","Permeability":"-6.64","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"14.69","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2cc(CC(C)C)on2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"132.6916884","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"35.37592889","SMR_VSA4":"17.68187306","SMR_VSA5":"128.5571392","SMR_VSA6":"46.08123612","SMR_VSA7":"65.35697657","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Mono44/\">[Mono44]</a>}$PEPTIDE1490,PEPTIDE1490,1:R1-6:R2$$$","HallKierAlpha":"-6.05","HeavyAtomCount":"66","HeavyAtomMolWt":"834.614","ID":"1490","Ipc":"1.0500000000000001e+46","Kappa1":"11.61104666","Kappa2":"23.41462587","Kappa3":"13.28348423","LabuteASA":"486.3912865","MDCK":"","MaxAbsEStateIndex":"17.34419609","MaxAbsPartialCharge":"0.361077338","MaxEStateIndex":"17.34419609","MaxPartialCharge":"0.245702169","MinAbsEStateIndex":"1.510946887","MinAbsPartialCharge":"0.245702169","MinEStateIndex":"-7.182423676","MinPartialCharge":"-0.361077338","MolLogP":"6.0965","MolMR":"253.5914","MolWt":"904.166","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"1","NumAromaticRings":"4","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"21","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"354","Original_Name_in_Source_Literature":"1.9-37","PAMPA":"-10.0","PC1":"3.063663012","PC2":"4.251672272","PEOE_VSA1":"34.74236057","PEOE_VSA10":"42.02260497","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"124.6709981","PEOE_VSA7":"71.92481619","PEOE_VSA8":"99.07119125","PEOE_VSA9":"44.52116616","PSA":"","Permeability":"-10.0","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"46.27","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2cc(CC(C)C)on2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"127.9548255","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"35.37592889","SMR_VSA4":"11.78791537","SMR_VSA5":"128.5571392","SMR_VSA6":"32.96326564","SMR_VSA7":"101.1325216","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 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href=\"/monomers/Mono45/\">[Mono45]</a>}$PEPTIDE1497,PEPTIDE1497,1:R1-6:R2$$$","HallKierAlpha":"-4.75","HeavyAtomCount":"57","HeavyAtomMolWt":"724.523","ID":"1497","Ipc":"7.17e+38","Kappa1":"9.490822783","Kappa2":"20.60475525","Kappa3":"11.66074287","LabuteASA":"427.6286861","MDCK":"","MaxAbsEStateIndex":"16.79825279","MaxAbsPartialCharge":"0.343043479","MaxEStateIndex":"16.79825279","MaxPartialCharge":"0.245647302","MinAbsEStateIndex":"0.646958582","MinAbsPartialCharge":"0.245647302","MinEStateIndex":"-7.123524128","MinPartialCharge":"-0.343043479","MolLogP":"3.7263","MolMR":"216.1514","MolWt":"789.035","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"1","NumAromaticRings":"2","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"312","Original_Name_in_Source_Literature":"1.10-04","PAMPA":"-4.98","PC1":"4.299590491","PC2":"2.138105916","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.44902604","PEOE_VSA3":"0.0","PEOE_VSA4":"5.098681808","PEOE_VSA5":"0.0","PEOE_VSA6":"76.58997569","PEOE_VSA7":"74.04667859","PEOE_VSA8":"97.75481429","PEOE_VSA9":"45.53499162","PSA":"","Permeability":"-4.98","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"38.75","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](C)NC(=O)CN(Cc2ccccc2Cn2cccn2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"116.5779377","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"39.99975037","SMR_VSA4":"11.78791537","SMR_VSA5":"134.5750316","SMR_VSA6":"32.96326564","SMR_VSA7":"53.68478694","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 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'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono45']","Sequence_LogP":"[0.8193999999999995, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.5621]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/PhPr_Gly/\">[PhPr_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Mono45/\">[Mono45]</a>}$PEPTIDE1504,PEPTIDE1504,1:R1-6:R2$$$","HallKierAlpha":"-5.54","HeavyAtomCount":"59","HeavyAtomMolWt":"752.537","ID":"1504","Ipc":"4.85e+38","Kappa1":"10.30956892","Kappa2":"20.93529276","Kappa3":"12.01011718","LabuteASA":"434.3940776","MDCK":"","MaxAbsEStateIndex":"16.77954422","MaxAbsPartialCharge":"0.343043481","MaxEStateIndex":"16.77954422","MaxPartialCharge":"0.245647302","MinAbsEStateIndex":"0.627019757","MinAbsPartialCharge":"0.245647302","MinEStateIndex":"-7.040231856","MinPartialCharge":"-0.343043481","MolLogP":"2.5123","MolMR":"221.1054","MolWt":"815.033","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"16","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"2","NumAromaticRings":"3","NumHAcceptors":"10","NumHDonors":"2","NumHeteroatoms":"16","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"320","Original_Name_in_Source_Literature":"1.10-11","PAMPA":"-6.66","PC1":"5.082727363","PC2":"4.058109753","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"38.13082897","PEOE_VSA3":"0.0","PEOE_VSA4":"10.19736362","PEOE_VSA5":"0.0","PEOE_VSA6":"57.47120099","PEOE_VSA7":"73.71617239","PEOE_VSA8":"105.4205022","PEOE_VSA9":"54.44940394","PSA":"","Permeability":"-6.66","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"94.65","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2cnn(C)c2)C(=O)[C@H](C)NC(=O)CN(Cc2ccccc2Cn2cccn2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"113.8364206","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"49.78023512","SMR_VSA4":"12.86978459","SMR_VSA5":"115.4562569","SMR_VSA6":"32.96326564","SMR_VSA7":"71.59402886","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'Mono40', 'meL', 'Nle', 'dP', 'Mono45']","Sequence_LogP":"[-0.2068000000000003, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.5621]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/L/\">L</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono45/\">[Mono45]</a>}$PEPTIDE1511,PEPTIDE1511,1:R1-6:R2$$$","HallKierAlpha":"-5.6","HeavyAtomCount":"61","HeavyAtomMolWt":"774.563","ID":"1511","Ipc":"1.28e+42","Kappa1":"10.59416673","Kappa2":"22.30228249","Kappa3":"12.94949735","LabuteASA":"451.5863457","MDCK":"","MaxAbsEStateIndex":"17.01802067","MaxAbsPartialCharge":"0.342747691","MaxEStateIndex":"17.01802067","MaxPartialCharge":"0.245647302","MinAbsEStateIndex":"0.678691015","MinAbsPartialCharge":"0.245647302","MinEStateIndex":"-7.136045416","MinPartialCharge":"-0.342747691","MolLogP":"3.8099","MolMR":"231.2984","MolWt":"840.083","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"2","NumAromaticRings":"3","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"330","Original_Name_in_Source_Literature":"1.10-18","PAMPA":"-5.59","PC1":"4.290759267","PC2":"4.122663716","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"38.43300456","PEOE_VSA3":"0.0","PEOE_VSA4":"5.098681808","PEOE_VSA5":"0.0","PEOE_VSA6":"77.21740393","PEOE_VSA7":"78.80065667","PEOE_VSA8":"105.988329","PEOE_VSA9":"51.01802584","PSA":"","Permeability":"-5.59","RRCK":"","R_Caco2":"75.5","R_MDCK":"","R_PAMAP":"75.19","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2ccccc2Cn2cccn2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"117.9486963","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"44.98372889","SMR_VSA4":"11.78791537","SMR_VSA5":"122.308149","SMR_VSA6":"32.96326564","SMR_VSA7":"83.67886627","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['L', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono45']","Sequence_LogP":"[0.8193999999999995, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.5621]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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'Bn_Gly', 'meL', 'Nle', 'dP', 'Mono45']","Sequence_LogP":"[1.0159999999999998, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 1.5621]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono45/\">[Mono45]</a>}$PEPTIDE1518,PEPTIDE1518,1:R1-6:R2$$$","HallKierAlpha":"-5.57","HeavyAtomCount":"63","HeavyAtomMolWt":"800.577","ID":"1518","Ipc":"2.26e+43","Kappa1":"11.0873039","Kappa2":"22.68186967","Kappa3":"12.76753106","LabuteASA":"464.2443245","MDCK":"","MaxAbsEStateIndex":"17.21725288","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"17.21725288","MaxPartialCharge":"0.245647302","MinAbsEStateIndex":"0.673247429","MinAbsPartialCharge":"0.245647302","MinEStateIndex":"-7.197258451","MinPartialCharge":"-0.381428301","MolLogP":"3.7954","MolMR":"237.5914","MolWt":"867.105","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"1","NumAromaticRings":"3","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"340","Original_Name_in_Source_Literature":"1.10-25","PAMPA":"-5.4","PC1":"3.551329783","PC2":"2.86531576","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.44902604","PEOE_VSA3":"0.0","PEOE_VSA4":"5.098681808","PEOE_VSA5":"0.0","PEOE_VSA6":"87.68329452","PEOE_VSA7":"72.75823796","PEOE_VSA8":"107.6503998","PEOE_VSA9":"57.87181863","PSA":"","Permeability":"-5.4","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"39.23","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2Cn2cccn2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"124.0563178","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"39.99975037","SMR_VSA4":"11.78791537","SMR_VSA5":"114.9772897","SMR_VSA6":"46.08123612","SMR_VSA7":"89.46033197","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono38', 'meL', 'Nle', 'dP', 'Mono45']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.5621]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/3-pyridylethyl_Gly/\">[3-pyridylethyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono45/\">[Mono45]</a>}$PEPTIDE1519,PEPTIDE1519,1:R1-6:R2$$$","HallKierAlpha":"-6.38","HeavyAtomCount":"64","HeavyAtomMolWt":"810.596","ID":"1519","Ipc":"4.87e+42","Kappa1":"11.70564653","Kappa2":"22.81525549","Kappa3":"12.63029714","LabuteASA":"464.7386726","MDCK":"","MaxAbsEStateIndex":"17.08323101","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.08323101","MaxPartialCharge":"0.245647302","MinAbsEStateIndex":"0.641042106","MinAbsPartialCharge":"0.245647302","MinEStateIndex":"-7.072109094","MinPartialCharge":"-0.342506689","MolLogP":"4.0065","MolMR":"241.9894","MolWt":"874.1","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"2","NumAromaticRings":"4","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"340","Original_Name_in_Source_Literature":"1.10-26","PAMPA":"-5.69","PC1":"4.736789639","PC2":"5.87558979","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"38.43300456","PEOE_VSA3":"0.0","PEOE_VSA4":"5.098681808","PEOE_VSA5":"0.0","PEOE_VSA6":"93.72571323","PEOE_VSA7":"72.09722557","PEOE_VSA8":"102.7659441","PEOE_VSA9":"57.87181863","PSA":"","Permeability":"-5.69","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"46.17","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2Cn2cccn2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.2071792","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"44.98372889","SMR_VSA4":"5.893957685","SMR_VSA5":"108.6043648","SMR_VSA6":"32.96326564","SMR_VSA7":"119.4544113","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono45']","Sequence_LogP":"[1.0159999999999998, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.5621]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/MeOEt_Gly/\">[MeOEt_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono45/\">[Mono45]</a>}$PEPTIDE1520,PEPTIDE1520,1:R1-6:R2$$$","HallKierAlpha":"-6.09","HeavyAtomCount":"64","HeavyAtomMolWt":"812.588","ID":"1520","Ipc":"1.04e+43","Kappa1":"11.64498807","Kappa2":"22.50434358","Kappa3":"12.12526115","LabuteASA":"466.0270528","MDCK":"","MaxAbsEStateIndex":"17.10635922","MaxAbsPartialCharge":"0.38285076","MaxEStateIndex":"17.10635922","MaxPartialCharge":"0.245647302","MinAbsEStateIndex":"0.65184597","MinAbsPartialCharge":"0.245647302","MinEStateIndex":"-7.084663907","MinPartialCharge":"-0.38285076","MolLogP":"4.1684","MolMR":"243.4304","MolWt":"877.1","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"1","NumAromaticRings":"4","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"342","Original_Name_in_Source_Literature":"1.10-27","PAMPA":"-6.17","PC1":"4.0527272","PC2":"4.517387883","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.44902604","PEOE_VSA3":"0.0","PEOE_VSA4":"5.098681808","PEOE_VSA5":"0.0","PEOE_VSA6":"99.76813194","PEOE_VSA7":"64.8908789","PEOE_VSA8":"91.97507186","PEOE_VSA9":"71.28459665","PSA":"","Permeability":"-6.17","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"18.3","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2ccccc2Cn2cccn2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"121.3148007","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"39.99975037","SMR_VSA4":"5.893957685","SMR_VSA5":"102.2314399","SMR_VSA6":"46.56020334","SMR_VSA7":"101.5451694","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Mono45']","Sequence_LogP":"[2.1692, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 1.5621]","Sequence_TPSA":"[29.1, 29.54, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'Mono41', 'meL', 'Nle', 'dP', 'Mono45']","Sequence_LogP":"[1.0159999999999998, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 1.5621]","Sequence_TPSA":"[29.1, 40.620000000000005, 20.31, 29.1, 20.31, 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'3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Mono45']","Sequence_LogP":"[2.1692, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.5621]","Sequence_TPSA":"[29.1, 33.2, 20.31, 29.1, 20.31, 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href=\"/monomers/Nal/\">[Nal]</a>.<a href=\"/monomers/Mono40/\">[Mono40]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono45/\">[Mono45]</a>}$PEPTIDE1532,PEPTIDE1532,1:R1-6:R2$$$","HallKierAlpha":"-6.84","HeavyAtomCount":"69","HeavyAtomMolWt":"872.647","ID":"1532","Ipc":"1.52e+47","Kappa1":"12.54142467","Kappa2":"23.44812495","Kappa3":"13.03223222","LabuteASA":"500.5626593","MDCK":"","MaxAbsEStateIndex":"17.45379583","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"17.45379583","MaxPartialCharge":"0.245647302","MinAbsEStateIndex":"0.675489777","MinAbsPartialCharge":"0.245647302","MinEStateIndex":"-7.192290292","MinPartialCharge":"-0.342506689","MolLogP":"4.8883","MolMR":"263.0834","MolWt":"941.191","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"16","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"3","NumAromaticHeterocycles":"2","NumAromaticRings":"5","NumHAcceptors":"10","NumHDonors":"2","NumHeteroatoms":"16","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"366","Original_Name_in_Source_Literature":"1.10-39","PAMPA":"-6.58","PC1":"3.833617049","PC2":"7.230185158","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"38.13082897","PEOE_VSA3":"0.0","PEOE_VSA4":"10.19736362","PEOE_VSA5":"0.0","PEOE_VSA6":"99.76813194","PEOE_VSA7":"83.2001802","PEOE_VSA8":"110.4226685","PEOE_VSA9":"64.04471384","PSA":"","Permeability":"-6.58","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"18.65","R_RRCK":"","RingCount":"7","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2cnn(C)c2)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN(Cc2ccccc2Cn2cccn2)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"122.060972","SMR_VSA10":"46.21552681","SMR_VSA2":"0.0","SMR_VSA3":"49.78023512","SMR_VSA4":"12.86978459","SMR_VSA5":"114.9772897","SMR_VSA6":"32.96326564","SMR_VSA7":"119.4544113","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Nal', 'Mono40', 'meL', 'Nle', 'dP', 'Mono45']","Sequence_LogP":"[2.1692, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.5621]","Sequence_TPSA":"[29.1, 38.13, 20.31, 29.1, 20.31, 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'Mono38', 'meL', 'Nle', 'P', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1578,PEPTIDE1578,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"52","HeavyAtomMolWt":"664.464","ID":"1578","Ipc":"3.38e+34","Kappa1":"8.605794984","Kappa2":"19.72862527","Kappa3":"11.00543478","LabuteASA":"393.0930796","MDCK":"","MaxAbsEStateIndex":"16.7467468","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.7467468","MaxPartialCharge":"0.245470864","MinAbsEStateIndex":"1.783587909","MinAbsPartialCharge":"0.245470864","MinEStateIndex":"-7.08639808","MinPartialCharge":"-0.381428301","MolLogP":"2.3703","MolMR":"196.6574","MolWt":"724.944","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"288","Original_Name_in_Source_Literature":"2.2-09Me","PAMPA":"-5.18","PC1":"4.245254284","PC2":"-0.696767672","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"63.51361969","PEOE_VSA7":"62.44080839","PEOE_VSA8":"102.1584021","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-5.18","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"71.9","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"115.8317665","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"108.8354625","SMR_VSA6":"52.57809581","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"[['PAMPA', 'Caco2']]","Same_Peptides_ID":"[1158]","Same_Peptides_Permeability":"[['-5.50', '-5.98']]","Same_Peptides_Source":"['2016_Furukawa']","Sequence":"['F', 'Mono38', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/A/\">A</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono1/\">[Mono1]</a>}$PEPTIDE1581,PEPTIDE1581,1:R1-6:R2$$$","HallKierAlpha":"-4.4","HeavyAtomCount":"54","HeavyAtomMolWt":"696.462","ID":"1581","Ipc":"2.11e+34","Kappa1":"9.406451613","Kappa2":"18.76690413","Kappa3":"10.21369358","LabuteASA":"399.5043979","MDCK":"","MaxAbsEStateIndex":"16.44880324","MaxAbsPartialCharge":"0.453595475","MaxEStateIndex":"16.44880324","MaxPartialCharge":"0.245647149","MinAbsEStateIndex":"1.526745136","MinAbsPartialCharge":"0.245647149","MinEStateIndex":"-7.025630484","MinPartialCharge":"-0.453595475","MolLogP":"2.0565","MolMR":"197.9134","MolWt":"754.926","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"15","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"4","NumAliphaticRings":"4","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"9","NumHDonors":"2","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"14","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"298","Original_Name_in_Source_Literature":"2.2-12Me","PAMPA":"-5.54","PC1":"3.880902251","PC2":"-1.686313707","PEOE_VSA1":"44.42985449","PEOE_VSA10":"26.81308699","PEOE_VSA11":"14.32270782","PEOE_VSA12":"42.18812396","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"39.34394486","PEOE_VSA7":"74.5256458","PEOE_VSA8":"90.30244302","PEOE_VSA9":"36.29661482","PSA":"","Permeability":"-5.54","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"90.8","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](C)NC(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"122.5639753","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"108.9593972","SMR_VSA6":"52.82628171","SMR_VSA7":"23.69070761","SMR_VSA8":"0","SMR_VSA9":"11.49902367","Same_Peptides_Assay":"[['PAMPA']]","Same_Peptides_ID":"[1418]","Same_Peptides_Permeability":"[['-6.10']]","Same_Peptides_Source":"['2016_Furukawa']","Sequence":"['A', 'Mono38', 'meL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1588,PEPTIDE1588,1:R1-6:R2$$$","HallKierAlpha":"-3.18","HeavyAtomCount":"43","HeavyAtomMolWt":"552.377","ID":"1588","Ipc":"1.14e+26","Kappa1":"6.674402847","Kappa2":"17.82046022","Kappa3":"10.79601329","LabuteASA":"332.6166492","MDCK":"","MaxAbsEStateIndex":"15.88465504","MaxAbsPartialCharge":"0.343043686","MaxEStateIndex":"15.88465504","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"2.196611737","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-6.648198316","MinPartialCharge":"-0.343043686","MolLogP":"1.5689","MolMR":"163.5401","MolWt":"606.809","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"3","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"6","NumHDonors":"3","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"16","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"244","Original_Name_in_Source_Literature":"2.2-02H","PAMPA":"-6.52","PC1":"5.458874327","PC2":"-1.647054404","PEOE_VSA1":"30.62916925","PEOE_VSA10":"24.07156987","PEOE_VSA11":"4.235526235","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"52.89926807","PEOE_VSA7":"51.46236643","PEOE_VSA8":"78.43319697","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-6.52","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"98.0","R_RRCK":"","RingCount":"2","SMILES":"CCCCCN1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC)CC(=O)N[C@@H](C)C1=O","SMR_VSA1":"102.9114357","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.62916925","SMR_VSA4":"5.893957685","SMR_VSA5":"122.5392467","SMR_VSA6":"32.48429842","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 'pentyl_Gly', 'L', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1592,PEPTIDE1592,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"49","HeavyAtomMolWt":"624.443","ID":"1592","Ipc":"5.47e+31","Kappa1":"7.917418039","Kappa2":"19.89249186","Kappa3":"11.85151472","LabuteASA":"373.2936254","MDCK":"","MaxAbsEStateIndex":"16.32005026","MaxAbsPartialCharge":"0.342755981","MaxEStateIndex":"16.32005026","MaxPartialCharge":"0.245461041","MinAbsEStateIndex":"1.736306003","MinAbsPartialCharge":"0.245461041","MinEStateIndex":"-6.761416111","MinPartialCharge":"-0.342755981","MolLogP":"2.7917","MolMR":"188.0121","MolWt":"682.907","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"3","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"3","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"272","Original_Name_in_Source_Literature":"2.2-06H","PAMPA":"-5.13","PC1":"5.118771071","PC2":"0.097611407","PEOE_VSA1":"30.62916925","PEOE_VSA10":"24.07156987","PEOE_VSA11":"4.235526235","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"83.11136161","PEOE_VSA7":"50.1739258","PEOE_VSA8":"83.43536331","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-5.13","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"76.6","R_RRCK":"","RingCount":"3","SMILES":"CCCCCN1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC)CC(=O)N[C@@H](Cc2ccccc2)C1=O","SMR_VSA1":"108.3944699","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.62916925","SMR_VSA4":"5.893957685","SMR_VSA5":"122.0602795","SMR_VSA6":"32.48429842","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'pentyl_Gly', 'L', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 1.3073, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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'cHexCH2_Gly', 'L', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1602,PEPTIDE1602,1:R1-6:R2$$$","HallKierAlpha":"-4.04","HeavyAtomCount":"56","HeavyAtomMolWt":"716.496","ID":"1602","Ipc":"8.799999999999999e+39","Kappa1":"9.222409979","Kappa2":"22.63680465","Kappa3":"13.85839762","LabuteASA":"425.5793593","MDCK":"","MaxAbsEStateIndex":"16.85698636","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.85698636","MaxPartialCharge":"0.245470744","MinAbsEStateIndex":"1.848753902","MinAbsPartialCharge":"0.245470744","MinEStateIndex":"-6.946645758","MinPartialCharge":"-0.381428301","MolLogP":"2.8233","MolMR":"212.0611","MolWt":"783.024","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"3","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"3","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"312","Original_Name_in_Source_Literature":"2.2-16H","PAMPA":"-5.44","PC1":"2.824744948","PC2":"-0.762663874","PEOE_VSA1":"40.10289516","PEOE_VSA10":"24.07156987","PEOE_VSA11":"4.235526235","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"63.51361969","PEOE_VSA7":"75.66562541","PEOE_VSA8":"104.4830776","PEOE_VSA9":"46.48890852","PSA":"","Permeability":"-5.44","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"81.0","R_RRCK":"","RingCount":"4","SMILES":"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","SMR_VSA1":"128.8342643","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.62916925","SMR_VSA4":"11.78791537","SMR_VSA5":"128.1402975","SMR_VSA6":"52.16125415","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono38', 'L', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 29.540000000000003, 29.1, 29.1, 20.31, 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38.77]","SlogP_VSA1":"25.40316597","SlogP_VSA10":"0.0","SlogP_VSA11":"11.49902367","SlogP_VSA12":"0.0","SlogP_VSA2":"120.0648322","SlogP_VSA3":"46.37387064","SlogP_VSA4":"11.78791537","SlogP_VSA5":"160.7992162","SlogP_VSA6":"48.33934966","SlogP_VSA7":"4.235526235","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1605","TPSA":"175.92","T_PAMPA":"61.9","VSA_EState1":"547.9623498","VSA_EState10":"0.0","VSA_EState2":"91.65098266","VSA_EState3":"-7.732049813","VSA_EState4":"-5.288770476","VSA_EState5":"-41.75124961","VSA_EState6":"-43.7851514","VSA_EState7":"-52.86018428","VSA_EState8":"-61.19592687","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"3","fr_NH1":"3","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"0","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"3","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.308185963"},"row_index":471,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.19e-16","BCUT2D_CHGLO":"-2.712751427","BCUT2D_LOGPHI":"-2.27e-16","BCUT2D_LOGPLOW":"-2.856639015","BCUT2D_MRHI":"-8.68e-17","BCUT2D_MRLOW":"-1.137428392","BCUT2D_MWHI":"2.44e-16","BCUT2D_MWLOW":"-0.249292215","BalabanJ":"4.455194748","BertzCT":"3225.568886","CHCl3_3DPSA":"113.0","Caco2":"","Chi0":"81.92820323","Chi0n":"77.13277132","Chi0v":"21.13277132","Chi1":"42.48760431","Chi1n":"38.44688083","Chi1v":"10.55245364","Chi2n":"6.849607156","Chi2v":"6.849607156","Chi3n":"4.151390566","Chi3v":"4.151390566","Chi4n":"2.462883027","Chi4v":"2.462883027","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"233.5556737","EState_VSA10":"8.906812853","EState_VSA11":"23.97268592","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"72.73237052","ExactMolWt":"620.4261335","FpDensityMorgan1":"1.0","FpDensityMorgan2":"1.795454545","FpDensityMorgan3":"2.5","FractionCSP3":"0.8125","H2O_3DPSA":"114.0","HELM":"PEPTIDE1606{[dA].[pentyl_Gly].[meL].[Nle].P.[Et_Gly]}$PEPTIDE1606,PEPTIDE1606,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1606{<a 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'pentyl_Gly', 'meL', 'Nle', 'P', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1607,PEPTIDE1607,1:R1-6:R2$$$","HallKierAlpha":"-3.18","HeavyAtomCount":"46","HeavyAtomMolWt":"588.41","ID":"1607","Ipc":"1.07e+29","Kappa1":"7.083689572","Kappa2":"17.65770127","Kappa3":"9.90918233","LabuteASA":"356.4774413","MDCK":"","MaxAbsEStateIndex":"16.17057569","MaxAbsPartialCharge":"0.343043685","MaxEStateIndex":"16.17057569","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"2.26867338","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-7.012663757","MinPartialCharge":"-0.343043685","MolLogP":"2.3012","MolMR":"175.2174","MolWt":"646.874","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"14","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"260","Original_Name_in_Source_Literature":"2.3-02Me","PAMPA":"-5.32","PC1":"4.573333568","PC2":"-1.605730427","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"52.42030086","PEOE_VSA7":"63.72924901","PEOE_VSA8":"92.26281665","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-5.32","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"72.7","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@@H](C)NC(=O)CN(CC)C(=O)[C@@H]2CCCN2C1=O","SMR_VSA1":"108.3533864","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"128.4332044","SMR_VSA6":"39.46012532","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1608,PEPTIDE1608,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"46","HeavyAtomMolWt":"592.398","ID":"1608","Ipc":"2.72e+29","Kappa1":"7.352396904","Kappa2":"17.62869873","Kappa3":"9.889380372","LabuteASA":"352.4161034","MDCK":"","MaxAbsEStateIndex":"16.13128205","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.13128205","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"2.25523588","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-6.973180286","MinPartialCharge":"-0.381428301","MolLogP":"1.1475","MolMR":"172.1854","MolWt":"648.846","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"14","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"260","Original_Name_in_Source_Literature":"2.3-03Me","PAMPA":"-7.56","PC1":"4.719524174","PC2":"-2.429623442","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"33.30152615","PEOE_VSA7":"63.72924901","PEOE_VSA8":"97.1562358","PEOE_VSA9":"29.44282204","PSA":"","Permeability":"-7.56","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"88.3","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@@H](C)NC(=O)CN(CC)C(=O)[C@@H]2CCCN2C1=O","SMR_VSA1":"110.3487322","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"109.3144297","SMR_VSA6":"52.57809581","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'Mono38', 'meL', 'Nle', 'P', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1609,PEPTIDE1609,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"49","HeavyAtomMolWt":"628.431","ID":"1609","Ipc":"1.29e+34","Kappa1":"7.4803384","Kappa2":"21.09922842","Kappa3":"13.20485683","LabuteASA":"383.7565249","MDCK":"","MaxAbsEStateIndex":"16.35089574","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"16.35089574","MaxPartialCharge":"0.245346553","MinAbsEStateIndex":"2.444287057","MinAbsPartialCharge":"0.245346553","MinEStateIndex":"-7.070864582","MinPartialCharge":"-0.378727819","MolLogP":"2.7063","MolMR":"188.1984","MolWt":"692.943","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"22","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"280","Original_Name_in_Source_Literature":"2.3-04Me","PAMPA":"-5.23","PC1":"3.907178721","PC2":"-1.804064916","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"52.89926807","PEOE_VSA7":"64.68718345","PEOE_VSA8":"102.9340776","PEOE_VSA9":"34.15208151","PSA":"","Permeability":"-5.23","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"74.5","R_RRCK":"","RingCount":"2","SMILES":"CCCCCN1CC(=O)N(C)[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](C)C1=O","SMR_VSA1":"121.3148007","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"141.8440817","SMR_VSA6":"46.01911056","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'pentyl_Gly', 'meL', 'Nle', 'P', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 29.54]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"131.2134158","SlogP_VSA3":"33.50408606","SlogP_VSA4":"5.893957685","SlogP_VSA5":"196.6795243","SlogP_VSA6":"0.0","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1609","TPSA":"148.67","T_PAMPA":"51.7","VSA_EState1":"550.8460054","VSA_EState10":"0.0","VSA_EState2":"85.62595325","VSA_EState3":"-5.386267305","VSA_EState4":"0.0","VSA_EState5":"-33.28175903","VSA_EState6":"-27.1538095","VSA_EState7":"-64.94411059","VSA_EState8":"-80.70601224","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"0","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.26618336"},"row_index":475,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1610,PEPTIDE1610,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"50","HeavyAtomMolWt":"636.454","ID":"1610","Ipc":"7.13e+33","Kappa1":"8.001343729","Kappa2":"20.02990425","Kappa3":"11.28094112","LabuteASA":"382.6204234","MDCK":"","MaxAbsEStateIndex":"16.49033087","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.49033087","MaxPartialCharge":"0.245461161","MinAbsEStateIndex":"1.769435934","MinAbsPartialCharge":"0.245461161","MinEStateIndex":"-7.047874444","MinPartialCharge":"-0.342506689","MolLogP":"3.1339","MolMR":"192.6394","MolWt":"696.934","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"278","Original_Name_in_Source_Literature":"2.3-05Me","PAMPA":"-5.22","PC1":"5.079571656","PC2":"0.207263588","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"83.11136161","PEOE_VSA7":"50.1739258","PEOE_VSA8":"94.52346588","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-5.22","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"59.4","R_RRCK":"","RingCount":"3","SMILES":"CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@H]2C(=O)N(CC)CC(=O)N[C@H](Cc2ccccc2)C1=O","SMR_VSA1":"111.0949035","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"122.0602795","SMR_VSA6":"39.46012532","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dF', 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'cHexCH2_Gly', 'meL', 'Nle', 'P', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'Mono38', 'meL', 'Nle', 'P', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'meL', 'Nle', 'P', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"118.5744125","SlogP_VSA3":"35.14014801","SlogP_VSA4":"11.78791537","SlogP_VSA5":"185.3187072","SlogP_VSA6":"30.21209354","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1613","TPSA":"139.44","T_PAMPA":"62.53","VSA_EState1":"545.6746492","VSA_EState10":"0.0","VSA_EState2":"87.67583671","VSA_EState3":"-5.267794714","VSA_EState4":"-2.74054637","VSA_EState5":"-39.38358981","VSA_EState6":"-37.83518891","VSA_EState7":"-69.65294997","VSA_EState8":"-59.47041614","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"2","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.379258882"},"row_index":479,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a href=\"/monomers/Mono1/\">[Mono1]</a>}$PEPTIDE1616,PEPTIDE1616,1:R1-6:R2$$$","HallKierAlpha":"-4.36","HeavyAtomCount":"54","HeavyAtomMolWt":"692.474","ID":"1616","Ipc":"7.37e+35","Kappa1":"9.094031522","Kappa2":"18.79429675","Kappa3":"10.23169487","LabuteASA":"403.5657358","MDCK":"","MaxAbsEStateIndex":"16.47442824","MaxAbsPartialCharge":"0.453595475","MaxEStateIndex":"16.47442824","MaxPartialCharge":"0.245647149","MinAbsEStateIndex":"1.5395358","MinAbsPartialCharge":"0.245647149","MinEStateIndex":"-7.065113955","MinPartialCharge":"-0.453595475","MolLogP":"3.2102","MolMR":"200.9454","MolWt":"752.954","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"3","NumAliphaticRings":"4","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"14","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"298","Original_Name_in_Source_Literature":"2.3-11Me","PAMPA":"-5.09","PC1":"3.692611382","PC2":"-1.034665462","PEOE_VSA1":"39.69299154","PEOE_VSA10":"26.81308699","PEOE_VSA11":"14.32270782","PEOE_VSA12":"42.18812396","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"58.46271957","PEOE_VSA7":"74.5256458","PEOE_VSA8":"85.40902387","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-5.09","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"33.1","R_RRCK":"","RingCount":"5","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@@H](C)NC(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2CCCN2C1=O","SMR_VSA1":"120.5686294","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"128.0781719","SMR_VSA6":"39.70831122","SMR_VSA7":"23.69070761","SMR_VSA8":"0","SMR_VSA9":"11.49902367","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'cHexCH2_Gly', 'meL', 'Nle', 'P', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'meL', 'Nle', 'P', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'Mono38', 'meL', 'Nle', 'P', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a 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'Mono38', 'meL', 'Nle', 'P', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a 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'cHexCH2_Gly', 'L', 'Nle', 'P', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1630,PEPTIDE1630,1:R1-6:R2$$$","HallKierAlpha":"-3.26","HeavyAtomCount":"50","HeavyAtomMolWt":"644.43","ID":"1630","Ipc":"3.1799999999999997e+33","Kappa1":"7.973922131","Kappa2":"20.55491642","Kappa3":"12.81103656","LabuteASA":"384.9023831","MDCK":"","MaxAbsEStateIndex":"16.27450244","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.27450244","MaxPartialCharge":"0.245346553","MinAbsEStateIndex":"2.397876478","MinAbsPartialCharge":"0.245346553","MinEStateIndex":"-6.87251231","MinPartialCharge":"-0.381428301","MolLogP":"1.6005","MolMR":"187.5891","MolWt":"706.926","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"3","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"8","NumHDonors":"3","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"284","Original_Name_in_Source_Literature":"2.3-07H","PAMPA":"-7.92","PC1":"3.240047394","PC2":"-2.583729856","PEOE_VSA1":"40.10289516","PEOE_VSA10":"24.07156987","PEOE_VSA11":"4.235526235","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"33.30152615","PEOE_VSA7":"76.95406603","PEOE_VSA8":"99.48091125","PEOE_VSA9":"39.63511574","PSA":"","Permeability":"-7.92","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"88.3","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CN(CC2CCOCC2)C(=O)[C@@H](C)NC(=O)CN(CCCOC(C)C)C(=O)[C@@H]2CCCN2C1=O","SMR_VSA1":"123.3512301","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.62916925","SMR_VSA4":"11.78791537","SMR_VSA5":"128.6192647","SMR_VSA6":"52.16125415","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 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'cHexCH2_Gly', 'L', 'Nle', 'P', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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'cHexCH2_Gly', 'L', 'Nle', 'P', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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'Mono38', 'L', 'Nle', 'P', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 0.8193999999999995, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 29.1, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1644,PEPTIDE1644,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"46","HeavyAtomMolWt":"592.398","ID":"1644","Ipc":"2.72e+29","Kappa1":"7.352396904","Kappa2":"17.62869873","Kappa3":"9.889380372","LabuteASA":"352.4161034","MDCK":"","MaxAbsEStateIndex":"16.13128205","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.13128205","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"2.25523588","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-6.973180286","MinPartialCharge":"-0.381428301","MolLogP":"1.1475","MolMR":"172.1854","MolWt":"648.846","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"14","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"260","Original_Name_in_Source_Literature":"2.4-03Me","PAMPA":"-7.92","PC1":"4.719524174","PC2":"-2.429623442","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"33.30152615","PEOE_VSA7":"63.72924901","PEOE_VSA8":"97.1562358","PEOE_VSA9":"29.44282204","PSA":"","Permeability":"-7.92","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"94.4","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"110.3487322","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"109.3144297","SMR_VSA6":"52.57809581","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'Mono38', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31]","SlogP_VSA1":"10.61962671","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"131.692383","SlogP_VSA3":"33.50408606","SlogP_VSA4":"11.78791537","SlogP_VSA5":"159.2638218","SlogP_VSA6":"0.0","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1644","TPSA":"148.67","T_PAMPA":"0.13","VSA_EState1":"485.9354159","VSA_EState10":"0.0","VSA_EState2":"84.9710119","VSA_EState3":"-5.098399882","VSA_EState4":"0.0","VSA_EState5":"-38.10378267","VSA_EState6":"-26.33243346","VSA_EState7":"-46.46780599","VSA_EState8":"-73.6540058","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"2","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"0","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"1","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.401258966"},"row_index":510,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1647,PEPTIDE1647,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"51","HeavyAtomMolWt":"652.453","ID":"1647","Ipc":"7.969999999999999e+36","Kappa1":"7.800087776","Kappa2":"20.72466175","Kappa3":"12.74841851","LabuteASA":"398.290519","MDCK":"","MaxAbsEStateIndex":"16.43279526","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"16.43279526","MaxPartialCharge":"0.245346553","MinAbsEStateIndex":"2.463831339","MinAbsPartialCharge":"0.245346553","MinEStateIndex":"-7.148871689","MinPartialCharge":"-0.378727819","MolLogP":"3.0964","MolMR":"195.2484","MolWt":"718.981","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"290","Original_Name_in_Source_Literature":"2.4-06Me","PAMPA":"-5.47","PC1":"3.023167158","PC2":"-1.801224647","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"52.42030086","PEOE_VSA7":"76.95406603","PEOE_VSA8":"105.6755947","PEOE_VSA9":"34.15208151","PSA":"","Permeability":"-5.47","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"75.0","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@@H](C)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"124.0563178","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"147.7380394","SMR_VSA6":"46.01911056","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1648,PEPTIDE1648,1:R1-6:R2$$$","HallKierAlpha":"-3.26","HeavyAtomCount":"51","HeavyAtomMolWt":"656.441","ID":"1648","Ipc":"4.47e+35","Kappa1":"8.061825304","Kappa2":"20.69483523","Kappa3":"12.72663853","LabuteASA":"394.2291811","MDCK":"","MaxAbsEStateIndex":"16.40717026","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.40717026","MaxPartialCharge":"0.245346553","MinAbsEStateIndex":"2.450393839","MinAbsPartialCharge":"0.245346553","MinEStateIndex":"-7.109388218","MinPartialCharge":"-0.381428301","MolLogP":"1.9427","MolMR":"192.2164","MolWt":"720.953","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"290","Original_Name_in_Source_Literature":"2.4-07Me","PAMPA":"-7.33","PC1":"3.242238201","PC2":"-2.502592164","PEOE_VSA1":"39.69299154","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"33.30152615","PEOE_VSA7":"76.95406603","PEOE_VSA8":"110.5690138","PEOE_VSA9":"39.63511574","PSA":"","Permeability":"-7.33","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"100.0","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@@H](C)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"126.0516637","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"128.6192647","SMR_VSA6":"59.13708105","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'Mono38', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'Mono38', 'meL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono1/\">[Mono1]</a>}$PEPTIDE1651,PEPTIDE1651,1:R1-6:R2$$$","HallKierAlpha":"-4.36","HeavyAtomCount":"52","HeavyAtomMolWt":"668.452","ID":"1651","Ipc":"1.7999999999999998e+33","Kappa1":"8.780299344","Kappa2":"18.92947891","Kappa3":"10.37220753","LabuteASA":"389.0317417","MDCK":"","MaxAbsEStateIndex":"16.39252871","MaxAbsPartialCharge":"0.453595475","MaxEStateIndex":"16.39252871","MaxPartialCharge":"0.245647149","MinAbsEStateIndex":"1.51900842","MinAbsPartialCharge":"0.245647149","MinEStateIndex":"-6.987106848","MinPartialCharge":"-0.453595475","MolLogP":"2.8201","MolMR":"193.8954","MolWt":"726.916","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"288","Original_Name_in_Source_Literature":"2.4-10Me","PAMPA":"-5.45","PC1":"4.635296975","PC2":"-0.908000587","PEOE_VSA1":"39.69299154","PEOE_VSA10":"26.81308699","PEOE_VSA11":"14.32270782","PEOE_VSA12":"42.18812396","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"58.94168678","PEOE_VSA7":"62.25876322","PEOE_VSA8":"82.66750676","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-5.45","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"65.4","R_RRCK":"","RingCount":"4","SMILES":"CCCCCN1CC(=O)N(C)[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](C)C1=O","SMR_VSA1":"117.8271123","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"122.1842143","SMR_VSA6":"39.70831122","SMR_VSA7":"23.69070761","SMR_VSA8":"0","SMR_VSA9":"11.49902367","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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'pentyl_Gly', 'meL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/meL/\">[meL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono1/\">[Mono1]</a>}$PEPTIDE1658,PEPTIDE1658,1:R1-6:R2$$$","HallKierAlpha":"-5.14","HeavyAtomCount":"60","HeavyAtomMolWt":"764.54","ID":"1658","Ipc":"9.98e+40","Kappa1":"10.37352481","Kappa2":"20.89847576","Kappa3":"11.36168001","LabuteASA":"444.242712","MDCK":"","MaxAbsEStateIndex":"17.1443939","MaxAbsPartialCharge":"0.453595475","MaxEStateIndex":"17.1443939","MaxPartialCharge":"0.245647149","MinAbsEStateIndex":"1.593051721","MinAbsPartialCharge":"0.245647149","MinEStateIndex":"-7.178331749","MinPartialCharge":"-0.453595475","MolLogP":"4.433","MolMR":"225.4174","MolWt":"829.052","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"3","NumAliphaticRings":"4","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"326","Original_Name_in_Source_Literature":"2.4-17Me","PAMPA":"-5.8","PC1":"2.912463023","PC2":"0.466866369","PEOE_VSA1":"39.69299154","PEOE_VSA10":"26.81308699","PEOE_VSA11":"14.32270782","PEOE_VSA12":"42.18812396","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"88.6748131","PEOE_VSA7":"73.23720518","PEOE_VSA8":"90.41119021","PEOE_VSA9":"37.66737338","PSA":"","Permeability":"-5.8","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"14.6","R_RRCK":"","RingCount":"6","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"126.0516637","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"127.5992047","SMR_VSA6":"39.70831122","SMR_VSA7":"59.46625264","SMR_VSA8":"0","SMR_VSA9":"11.49902367","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dF', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'Mono38', 'L', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 29.1, 29.1, 20.31, 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'pentyl_Gly', 'L', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 1.3073, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1665,PEPTIDE1665,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"50","HeavyAtomMolWt":"640.442","ID":"1665","Ipc":"5.91e+35","Kappa1":"7.708104852","Kappa2":"20.58501261","Kappa3":"12.83338997","LabuteASA":"388.963721","MDCK":"","MaxAbsEStateIndex":"16.30012744","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"16.30012744","MaxPartialCharge":"0.245346553","MinAbsEStateIndex":"2.411313978","MinAbsPartialCharge":"0.245346553","MinEStateIndex":"-6.897464007","MinPartialCharge":"-0.378727819","MolLogP":"2.7542","MolMR":"190.6211","MolWt":"704.954","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"3","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"3","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"284","Original_Name_in_Source_Literature":"2.4-06H","PAMPA":"-5.86","PC1":"3.01817258","PC2":"-1.884822636","PEOE_VSA1":"35.36603221","PEOE_VSA10":"24.07156987","PEOE_VSA11":"4.235526235","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"52.42030086","PEOE_VSA7":"76.95406603","PEOE_VSA8":"94.5874921","PEOE_VSA9":"34.15208151","PSA":"","Permeability":"-5.86","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"93.1","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CN(CC2CCCCC2)C(=O)[C@@H](C)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"121.3558842","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.62916925","SMR_VSA4":"11.78791537","SMR_VSA5":"147.7380394","SMR_VSA6":"39.04328366","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'cHexCH2_Gly', 'L', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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'pentyl_Gly', 'L', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 0.8193999999999995, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/L/\">L</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1672,PEPTIDE1672,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"54","HeavyAtomMolWt":"688.486","ID":"1672","Ipc":"4.8200000000000004e+38","Kappa1":"8.621804079","Kappa2":"23.04","Kappa3":"14.33639805","LabuteASA":"415.1067031","MDCK":"","MaxAbsEStateIndex":"16.60057043","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"16.60057043","MaxPartialCharge":"0.245461041","MinAbsEStateIndex":"1.834601926","MinAbsPartialCharge":"0.245461041","MinEStateIndex":"-6.925259811","MinPartialCharge":"-0.378727819","MolLogP":"3.5869","MolMR":"208.0431","MolWt":"755.014","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"3","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"3","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"22","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"302","Original_Name_in_Source_Literature":"2.4-13H","PAMPA":"-5.19","PC1":"3.612733778","PC2":"-0.039806508","PEOE_VSA1":"35.36603221","PEOE_VSA10":"24.07156987","PEOE_VSA11":"4.235526235","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"83.11136161","PEOE_VSA7":"63.39874282","PEOE_VSA8":"96.84814134","PEOE_VSA9":"41.00587429","PSA":"","Permeability":"-5.19","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"37.0","R_RRCK":"","RingCount":"3","SMILES":"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","SMR_VSA1":"124.0974013","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.62916925","SMR_VSA4":"5.893957685","SMR_VSA5":"141.3651145","SMR_VSA6":"39.04328366","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dF', 'pentyl_Gly', 'L', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 1.3073, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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'cHexCH2_Gly', 'L', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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'cHexCH2_Gly', 'Me_dL', 'Nle', 'P', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'pentyl_Gly', 'Me_dL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/Me_dL/\">[Me_dL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1721,PEPTIDE1721,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"52","HeavyAtomMolWt":"660.476","ID":"1721","Ipc":"5.94e+35","Kappa1":"8.319042197","Kappa2":"19.75750213","Kappa3":"11.02500661","LabuteASA":"397.1544175","MDCK":"","MaxAbsEStateIndex":"16.83128577","MaxAbsPartialCharge":"0.342506689","MaxEStateIndex":"16.83128577","MaxPartialCharge":"0.245470842","MinAbsEStateIndex":"1.804287905","MinAbsPartialCharge":"0.245470842","MinEStateIndex":"-7.125881551","MinPartialCharge":"-0.342506689","MolLogP":"3.524","MolMR":"199.6894","MolWt":"722.972","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"15","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"288","Original_Name_in_Source_Literature":"2.6-08Me","PAMPA":"-5.43","PC1":"4.073712307","PC2":"0.122471152","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"82.6323944","PEOE_VSA7":"62.44080839","PEOE_VSA8":"97.26498299","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-5.43","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"8.6","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"113.8364206","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"127.9542372","SMR_VSA6":"39.46012532","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'cHexCH2_Gly', 'Me_dL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'Me_dL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'Mono38', 'Me_dL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1728,PEPTIDE1728,1:R1-6:R2$$$","HallKierAlpha":"-4.04","HeavyAtomCount":"57","HeavyAtomMolWt":"728.507","ID":"1728","Ipc":"2.8999999999999997e+39","Kappa1":"9.305144594","Kappa2":"22.78231556","Kappa3":"13.795225","LabuteASA":"434.9061573","MDCK":"","MaxAbsEStateIndex":"17.02726698","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"17.02726698","MaxPartialCharge":"0.245470864","MinAbsEStateIndex":"1.881883833","MinAbsPartialCharge":"0.245470864","MinEStateIndex":"-7.222606013","MinPartialCharge":"-0.381428301","MolLogP":"3.1655","MolMR":"216.6884","MolWt":"797.051","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"318","Original_Name_in_Source_Literature":"2.6-15Me","PAMPA":"-5.03","PC1":"2.807695624","PC2":"-0.727317642","PEOE_VSA1":"39.69299154","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"63.51361969","PEOE_VSA7":"75.66562541","PEOE_VSA8":"115.5711802","PEOE_VSA9":"46.48890852","PSA":"","Permeability":"-5.03","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"42.7","R_RRCK":"","RingCount":"4","SMILES":"CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"131.5346979","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"128.1402975","SMR_VSA6":"59.13708105","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Mono38', 'Me_dL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/F/\">F</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/Me_dL/\">[Me_dL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1735,PEPTIDE1735,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"48","HeavyAtomMolWt":"616.42","ID":"1735","Ipc":"3.21e+33","Kappa1":"7.388550486","Kappa2":"20.99237181","Kappa3":"13.35385726","LabuteASA":"374.4297269","MDCK":"","MaxAbsEStateIndex":"16.21822792","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"16.21822792","MaxPartialCharge":"0.245346553","MinAbsEStateIndex":"2.391769696","MinAbsPartialCharge":"0.245346553","MinEStateIndex":"-6.851126364","MinPartialCharge":"-0.378727819","MolLogP":"2.3641","MolMR":"183.5711","MolWt":"678.916","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"3","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"3","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"21","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"274","Original_Name_in_Source_Literature":"2.6-04H","PAMPA":"-5.26","PC1":"3.930261694","PC2":"-1.904534598","PEOE_VSA1":"35.36603221","PEOE_VSA10":"24.07156987","PEOE_VSA11":"4.235526235","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"52.89926807","PEOE_VSA7":"64.68718345","PEOE_VSA8":"91.84597499","PEOE_VSA9":"34.15208151","PSA":"","Permeability":"-5.26","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"78.2","R_RRCK":"","RingCount":"2","SMILES":"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](C)C1=O","SMR_VSA1":"118.6143671","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.62916925","SMR_VSA4":"5.893957685","SMR_VSA5":"141.8440817","SMR_VSA6":"39.04328366","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['A', 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'cHexCH2_Gly', 'dL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1750,PEPTIDE1750,1:R1-6:R2$$$","HallKierAlpha":"-3.18","HeavyAtomCount":"44","HeavyAtomMolWt":"564.388","ID":"1750","Ipc":"2.99e+28","Kappa1":"6.76425848","Kappa2":"17.94965655","Kappa3":"10.18944427","LabuteASA":"341.9434472","MDCK":"","MaxAbsEStateIndex":"16.03655372","MaxAbsPartialCharge":"0.343043686","MaxEStateIndex":"16.03655372","MaxPartialCharge":"0.24533557","MinAbsEStateIndex":"2.249129098","MinAbsPartialCharge":"0.24533557","MinEStateIndex":"-6.93465665","MinPartialCharge":"-0.343043686","MolLogP":"1.9111","MolMR":"168.1674","MolWt":"620.836","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"6","NumHDonors":"2","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"250","Original_Name_in_Source_Literature":"2.7-01Me","PAMPA":"-6.26","PC1":"5.425821061","PC2":"-1.611010695","PEOE_VSA1":"30.21926563","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"52.89926807","PEOE_VSA7":"51.46236643","PEOE_VSA8":"89.52129954","PEOE_VSA9":"23.95978782","PSA":"","Permeability":"-6.26","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"90.9","R_RRCK":"","RingCount":"2","SMILES":"CCCCCN1CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@H]2C(=O)N(CC)CC(=O)N[C@H](C)C1=O","SMR_VSA1":"105.6118693","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"122.5392467","SMR_VSA6":"39.46012532","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'pentyl_Gly', 'Me_dL', 'Nle', 'P', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'Me_dL', 'Nle', 'P', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'Mono38', 'Me_dL', 'Nle', 'P', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.69e-16","BCUT2D_CHGLO":"-2.713123642","BCUT2D_LOGPHI":"-2.74e-16","BCUT2D_LOGPLOW":"-2.857956095","BCUT2D_MRHI":"-1.26e-16","BCUT2D_MRLOW":"-1.137432291","BCUT2D_MWHI":"-9.33e-17","BCUT2D_MWLOW":"-0.249292216","BalabanJ":"4.571426476","BertzCT":"3671.286428","CHCl3_3DPSA":"120.0","Caco2":"","Chi0":"92.63531001","Chi0n":"87.54101961","Chi0v":"23.54101961","Chi1":"47.94471109","Chi1n":"43.60512912","Chi1v":"11.71070193","Chi2n":"7.507855447","Chi2v":"7.507855447","Chi3n":"4.41141641","Chi3v":"4.41141641","Chi4n":"2.618153054","Chi4v":"2.618153054","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"259.419494","EState_VSA10":"11.00715197","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"4.736862954","EState_VSA9":"76.80356267","ExactMolWt":"692.4836484","FpDensityMorgan1":"0.959183673","FpDensityMorgan2":"1.714285714","FpDensityMorgan3":"2.428571429","FractionCSP3":"0.833333333","H2O_3DPSA":"132.0","HELM":"PEPTIDE1753{[dA].[pentyl_Gly].[Me_dL].[Nle].P.[Mono34]}$PEPTIDE1753,PEPTIDE1753,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1753{<a 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'pentyl_Gly', 'Me_dL', 'Nle', 'P', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'Me_dL', 'Nle', 'P', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/Me_dL/\">[Me_dL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1756,PEPTIDE1756,1:R1-6:R2$$$","HallKierAlpha":"-3.26","HeavyAtomCount":"51","HeavyAtomMolWt":"656.441","ID":"1756","Ipc":"4.47e+35","Kappa1":"8.061825304","Kappa2":"20.69483523","Kappa3":"12.72663853","LabuteASA":"394.2291811","MDCK":"","MaxAbsEStateIndex":"16.40717026","MaxAbsPartialCharge":"0.381428301","MaxEStateIndex":"16.40717026","MaxPartialCharge":"0.245346553","MinAbsEStateIndex":"2.450393839","MinAbsPartialCharge":"0.245346553","MinEStateIndex":"-7.109388218","MinPartialCharge":"-0.381428301","MolLogP":"1.9427","MolMR":"192.2164","MolWt":"720.953","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"3","NumSaturatedRings":"3","NumValenceElectrons":"290","Original_Name_in_Source_Literature":"2.7-07Me","PAMPA":"-7.42","PC1":"3.242238201","PC2":"-2.502592164","PEOE_VSA1":"39.69299154","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"33.30152615","PEOE_VSA7":"76.95406603","PEOE_VSA8":"110.5690138","PEOE_VSA9":"39.63511574","PSA":"","Permeability":"-7.42","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"95.0","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@@H](C)NC(=O)CN(CCCOC(C)C)C(=O)[C@@H]2CCCN2C1=O","SMR_VSA1":"126.0516637","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"128.6192647","SMR_VSA6":"59.13708105","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'Mono38', 'Me_dL', 'Nle', 'P', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 29.540000000000003, 20.31, 29.1, 20.31, 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/Me_dL/\">[Me_dL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/P/\">P</a>.<a 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'pentyl_Gly', 'Me_dL', 'Nle', 'P', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'Me_dL', 'Nle', 'P', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'pentyl_Gly', 'Me_dL', 'Nle', 'P', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'Me_dL', 'Nle', 'P', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 38.77]","SlogP_VSA1":"20.09335261","SlogP_VSA10":"0.0","SlogP_VSA11":"11.49902367","SlogP_VSA12":"0.0","SlogP_VSA2":"118.8225984","SlogP_VSA3":"41.63700769","SlogP_VSA4":"11.78791537","SlogP_VSA5":"186.7717837","SlogP_VSA6":"48.33934966","SlogP_VSA7":"2.823684157","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1766","TPSA":"157.9","T_PAMPA":"12.97","VSA_EState1":"583.2859452","VSA_EState10":"0.0","VSA_EState2":"90.17939399","VSA_EState3":"-5.290490117","VSA_EState4":"-5.422051695","VSA_EState5":"-43.12753338","VSA_EState6":"-44.94966881","VSA_EState7":"-70.34487438","VSA_EState8":"-58.33072082","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"4","fr_NH1":"2","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"2","fr_benzodiazepine":"0","fr_bicyclic":"2","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"2","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.337119663"},"row_index":632,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
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'cHexCH2_Gly', 'Me_dL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1791,PEPTIDE1791,1:R1-6:R2$$$","HallKierAlpha":"-3.22","HeavyAtomCount":"51","HeavyAtomMolWt":"652.453","ID":"1791","Ipc":"7.969999999999999e+36","Kappa1":"7.800087776","Kappa2":"20.72466175","Kappa3":"12.74841851","LabuteASA":"398.290519","MDCK":"","MaxAbsEStateIndex":"16.43279526","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"16.43279526","MaxPartialCharge":"0.245346553","MinAbsEStateIndex":"2.463831339","MinAbsPartialCharge":"0.245346553","MinEStateIndex":"-7.148871689","MinPartialCharge":"-0.378727819","MolLogP":"3.0964","MolMR":"195.2484","MolWt":"718.981","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"1","NumAliphaticHeterocycles":"2","NumAliphaticRings":"3","NumAromaticCarbocycles":"0","NumAromaticHeterocycles":"0","NumAromaticRings":"0","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"19","NumSaturatedCarbocycles":"1","NumSaturatedHeterocycles":"2","NumSaturatedRings":"3","NumValenceElectrons":"290","Original_Name_in_Source_Literature":"2.8-06Me","PAMPA":"-5.09","PC1":"3.023167158","PC2":"-1.801224647","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"52.42030086","PEOE_VSA7":"76.95406603","PEOE_VSA8":"105.6755947","PEOE_VSA9":"34.15208151","PSA":"","Permeability":"-5.09","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"60.5","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@@H](C)NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C1=O","SMR_VSA1":"124.0563178","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"11.78791537","SMR_VSA5":"147.7380394","SMR_VSA6":"46.01911056","SMR_VSA7":"0.0","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dA', 'cHexCH2_Gly', 'Me_dL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'pentyl_Gly', 'Me_dL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/dA/\">[dA]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/Me_dL/\">[Me_dL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/pentyl_Gly/\">[pentyl_Gly]</a>.<a href=\"/monomers/Me_dL/\">[Me_dL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a href=\"/monomers/Mono34/\">[Mono34]</a>}$PEPTIDE1798,PEPTIDE1798,1:R1-6:R2$$$","HallKierAlpha":"-4.0","HeavyAtomCount":"55","HeavyAtomMolWt":"700.497","ID":"1798","Ipc":"4.16e+40","Kappa1":"8.708421556","Kappa2":"23.15779321","Kappa3":"14.22222222","LabuteASA":"424.4335011","MDCK":"","MaxAbsEStateIndex":"16.77085104","MaxAbsPartialCharge":"0.378727819","MaxEStateIndex":"16.77085104","MaxPartialCharge":"0.245461161","MinAbsEStateIndex":"1.867731857","MinAbsPartialCharge":"0.245461161","MinEStateIndex":"-7.184082377","MinPartialCharge":"-0.378727819","MolLogP":"3.9291","MolMR":"212.6704","MolWt":"769.041","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"13","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"7","NumHDonors":"2","NumHeteroatoms":"13","NumRadicalElectrons":"0","NumRotatableBonds":"23","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"308","Original_Name_in_Source_Literature":"2.8-13Me","PAMPA":"-5.21","PC1":"3.567409804","PC2":"0.058226677","PEOE_VSA1":"34.95612858","PEOE_VSA10":"24.07156987","PEOE_VSA11":"2.823684157","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"83.11136161","PEOE_VSA7":"63.39874282","PEOE_VSA8":"107.9362439","PEOE_VSA9":"41.00587429","PSA":"","Permeability":"-5.21","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"14.0","R_RRCK":"","RingCount":"3","SMILES":"CCCCCN1CC(=O)N(C)[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","SMR_VSA1":"126.7978349","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"141.3651145","SMR_VSA6":"46.01911056","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dF', 'pentyl_Gly', 'Me_dL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/cHexCH2_Gly/\">[cHexCH2_Gly]</a>.<a href=\"/monomers/Me_dL/\">[Me_dL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Mono1/\">[Mono1]</a>}$PEPTIDE1801,PEPTIDE1801,1:R1-6:R2$$$","HallKierAlpha":"-5.14","HeavyAtomCount":"58","HeavyAtomMolWt":"740.518","ID":"1801","Ipc":"4.77e+38","Kappa1":"10.06284381","Kappa2":"21.03422971","Kappa3":"11.49902975","LabuteASA":"429.7087179","MDCK":"","MaxAbsEStateIndex":"16.803439","MaxAbsPartialCharge":"0.453595475","MaxEStateIndex":"16.803439","MaxPartialCharge":"0.245647149","MinAbsEStateIndex":"1.57252434","MinAbsPartialCharge":"0.245647149","MinEStateIndex":"-7.100324642","MinPartialCharge":"-0.453595475","MolLogP":"4.0429","MolMR":"218.3674","MolWt":"803.014","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"2","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"3","NumAliphaticRings":"3","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"8","NumHDonors":"2","NumHeteroatoms":"14","NumRadicalElectrons":"0","NumRotatableBonds":"18","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"316","Original_Name_in_Source_Literature":"2.8-16Me","PAMPA":"-10.0","PC1":"3.951979797","PC2":"0.624033671","PEOE_VSA1":"39.69299154","PEOE_VSA10":"26.81308699","PEOE_VSA11":"14.32270782","PEOE_VSA12":"42.18812396","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"89.15378032","PEOE_VSA7":"60.97032259","PEOE_VSA8":"87.6696731","PEOE_VSA9":"37.66737338","PSA":"","Permeability":"-10.0","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"103.9","R_RRCK":"","RingCount":"5","SMILES":"CCCCCN1CC(=O)N(C)[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","SMR_VSA1":"123.3101465","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.21926563","SMR_VSA4":"5.893957685","SMR_VSA5":"121.705247","SMR_VSA6":"39.70831122","SMR_VSA7":"59.46625264","SMR_VSA8":"0","SMR_VSA9":"11.49902367","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dF', 'pentyl_Gly', 'Me_dL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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'cHexCH2_Gly', 'Me_dL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 20.31, 29.1, 20.31, 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href=\"/monomers/dF/\">[dF]</a>.<a href=\"/monomers/Mono38/\">[Mono38]</a>.<a href=\"/monomers/Me_dL/\">[Me_dL]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/dP/\">[dP]</a>.<a 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href=\"/monomers/Et_Gly/\">[Et_Gly]</a>}$PEPTIDE1808,PEPTIDE1808,1:R1-6:R2$$$","HallKierAlpha":"-3.96","HeavyAtomCount":"49","HeavyAtomMolWt":"624.443","ID":"1808","Ipc":"5.47e+31","Kappa1":"7.917418039","Kappa2":"19.89249186","Kappa3":"11.85151472","LabuteASA":"373.2936254","MDCK":"","MaxAbsEStateIndex":"16.32005026","MaxAbsPartialCharge":"0.342755981","MaxEStateIndex":"16.32005026","MaxPartialCharge":"0.245461041","MinAbsEStateIndex":"1.736306003","MinAbsPartialCharge":"0.245461041","MinEStateIndex":"-6.761416111","MinPartialCharge":"-0.342755981","MolLogP":"2.7917","MolMR":"188.0121","MolWt":"682.907","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"3","NOCount":"12","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"2","NumAliphaticRings":"2","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"6","NumHDonors":"3","NumHeteroatoms":"12","NumRadicalElectrons":"0","NumRotatableBonds":"17","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"2","NumSaturatedRings":"2","NumValenceElectrons":"272","Original_Name_in_Source_Literature":"2.8-05H","PAMPA":"-5.22","PC1":"5.118771071","PC2":"0.097611407","PEOE_VSA1":"30.62916925","PEOE_VSA10":"24.07156987","PEOE_VSA11":"4.235526235","PEOE_VSA12":"35.44307838","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"28.7672231","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"0.0","PEOE_VSA6":"83.11136161","PEOE_VSA7":"50.1739258","PEOE_VSA8":"83.43536331","PEOE_VSA9":"30.8135806","PSA":"","Permeability":"-5.22","RRCK":"","R_Caco2":"","R_MDCK":"","R_PAMAP":"61.5","R_RRCK":"","RingCount":"3","SMILES":"CCCCCN1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC)CC(=O)N[C@H](Cc2ccccc2)C1=O","SMR_VSA1":"108.3944699","SMR_VSA10":"35.44307838","SMR_VSA2":"0.0","SMR_VSA3":"30.62916925","SMR_VSA4":"5.893957685","SMR_VSA5":"122.0602795","SMR_VSA6":"32.48429842","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['dF', 'pentyl_Gly', 'dL', 'Nle', 'dP', 'Et_Gly']","Sequence_LogP":"[1.0159999999999998, 1.3073, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.1369999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 20.31]","SlogP_VSA1":"15.92944006","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"0.0","SlogP_VSA2":"106.6986759","SlogP_VSA3":"35.14014801","SlogP_VSA4":"5.893957685","SlogP_VSA5":"172.5709568","SlogP_VSA6":"30.21209354","SlogP_VSA7":"4.235526235","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2016_Furukawa","Structurally_Unique_ID":"1808","TPSA":"148.23","T_PAMPA":"52.03","VSA_EState1":"500.052161","VSA_EState10":"0.0","VSA_EState2":"88.38897497","VSA_EState3":"-7.649609129","VSA_EState4":"-2.629157465","VSA_EState5":"-31.8207869","VSA_EState6":"-36.56085371","VSA_EState7":"-57.94442186","VSA_EState8":"-56.5863069","VSA_EState9":"0.0","Version":"1.0","Year":"2016","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"6","fr_C_O_noCOO":"6","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"3","fr_NH1":"3","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"6","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"1","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"0","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.289109055"},"row_index":674,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2016_Furukawa.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-3.16e-16","BCUT2D_CHGLO":"-2.818508808","BCUT2D_LOGPHI":"-2.99e-16","BCUT2D_LOGPLOW":"-2.871204301","BCUT2D_MRHI":"-1.7e-16","BCUT2D_MRLOW":"-1.169208818","BCUT2D_MWHI":"5.82e-17","BCUT2D_MWLOW":"-0.249290807","BalabanJ":"3.477268465","BertzCT":"3763.992438","CHCl3_3DPSA":"137.0","Caco2":"","Chi0":"93.13531001","Chi0n":"88.04101961","Chi0v":"24.04101961","Chi1":"48.48338622","Chi1n":"44.07873591","Chi1v":"12.23709513","Chi2n":"7.909248649","Chi2v":"7.909248649","Chi3n":"4.628969465","Chi3v":"4.628969465","Chi4n":"2.81998298","Chi4v":"2.81998298","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"","EState_VSA1":"264.6414861","EState_VSA10":"13.74866908","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"4.736862954","EState_VSA9":"74.10312908","ExactMolWt":"704.4836484","FpDensityMorgan1":"0.9","FpDensityMorgan2":"1.66","FpDensityMorgan3":"2.38","FractionCSP3":"0.837837838","H2O_3DPSA":"134.0","HELM":"PEPTIDE1809{[dA].[cHexCH2_Gly].[dL].[Nle].[dP].[Mono34]}$PEPTIDE1809,PEPTIDE1809,1:R1-6:R2$$$","HELM_URL":"PEPTIDE1809{<a 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'cHexCH2_Gly', 'dL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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'cHexCH2_Gly', 'dL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[-0.2068000000000003, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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'pentyl_Gly', 'dL', 'Nle', 'dP', 'Mono34']","Sequence_LogP":"[1.0159999999999998, 1.3073, 0.8193999999999995, 0.9635, 0.2794999999999998, 0.9322]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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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 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'cHexCH2_Gly', 'dL', 'Nle', 'dP', 'Mono1']","Sequence_LogP":"[1.0159999999999998, 1.6973999999999998, 0.8193999999999995, 0.9635, 0.2794999999999998, 1.0459999999999998]","Sequence_TPSA":"[29.1, 20.31, 29.1, 29.1, 20.31, 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