| ,MaxAbsEStateIndex,MaxEStateIndex,MinAbsEStateIndex,MinEStateIndex,qed,MolWt,HeavyAtomMolWt,ExactMolWt,NumValenceElectrons,NumRadicalElectrons,MaxPartialCharge,MinPartialCharge,MaxAbsPartialCharge,MinAbsPartialCharge,FpDensityMorgan1,FpDensityMorgan2,FpDensityMorgan3,BCUT2D_MWHI,BCUT2D_MWLOW,BCUT2D_CHGHI,BCUT2D_CHGLO,BCUT2D_LOGPHI,BCUT2D_LOGPLOW,BCUT2D_MRHI,BCUT2D_MRLOW,AvgIpc,BalabanJ,BertzCT,Chi0,Chi0n,Chi0v,Chi1,Chi1n,Chi1v,Chi2n,Chi2v,Chi3n,Chi3v,Chi4n,Chi4v,HallKierAlpha,Ipc,Kappa1,Kappa2,Kappa3,LabuteASA,PEOE_VSA1,PEOE_VSA10,PEOE_VSA11,PEOE_VSA12,PEOE_VSA13,PEOE_VSA14,PEOE_VSA2,PEOE_VSA3,PEOE_VSA4,PEOE_VSA5,PEOE_VSA6,PEOE_VSA7,PEOE_VSA8,PEOE_VSA9,SMR_VSA1,SMR_VSA10,SMR_VSA2,SMR_VSA3,SMR_VSA4,SMR_VSA5,SMR_VSA6,SMR_VSA7,SMR_VSA8,SMR_VSA9,SlogP_VSA1,SlogP_VSA10,SlogP_VSA11,SlogP_VSA12,SlogP_VSA2,SlogP_VSA3,SlogP_VSA4,SlogP_VSA5,SlogP_VSA6,SlogP_VSA7,SlogP_VSA8,SlogP_VSA9,TPSA,EState_VSA1,EState_VSA10,EState_VSA11,EState_VSA2,EState_VSA3,EState_VSA4,EState_VSA5,EState_VSA6,EState_VSA7,EState_VSA8,EState_VSA9,VSA_EState1,VSA_EState10,VSA_EState2,VSA_EState3,VSA_EState4,VSA_EState5,VSA_EState6,VSA_EState7,VSA_EState8,VSA_EState9,FractionCSP3,HeavyAtomCount,NHOHCount,NOCount,NumAliphaticCarbocycles,NumAliphaticHeterocycles,NumAliphaticRings,NumAromaticCarbocycles,NumAromaticHeterocycles,NumAromaticRings,NumHAcceptors,NumHDonors,NumHeteroatoms,NumRotatableBonds,NumSaturatedCarbocycles,NumSaturatedHeterocycles,NumSaturatedRings,RingCount,MolLogP,MolMR,fr_Al_COO,fr_Al_OH,fr_Al_OH_noTert,fr_ArN,fr_Ar_COO,fr_Ar_N,fr_Ar_NH,fr_Ar_OH,fr_COO,fr_COO2,fr_C_O,fr_C_O_noCOO,fr_C_S,fr_HOCCN,fr_Imine,fr_NH0,fr_NH1,fr_NH2,fr_N_O,fr_Ndealkylation1,fr_Ndealkylation2,fr_Nhpyrrole,fr_SH,fr_aldehyde,fr_alkyl_carbamate,fr_alkyl_halide,fr_allylic_oxid,fr_amide,fr_amidine,fr_aniline,fr_aryl_methyl,fr_azide,fr_azo,fr_barbitur,fr_benzene,fr_benzodiazepine,fr_bicyclic,fr_diazo,fr_dihydropyridine,fr_epoxide,fr_ester,fr_ether,fr_furan,fr_guanido,fr_halogen,fr_hdrzine,fr_hdrzone,fr_imidazole,fr_imide,fr_isocyan,fr_isothiocyan,fr_ketone,fr_ketone_Topliss,fr_lactam,fr_lactone,fr_methoxy,fr_morpholine,fr_nitrile,fr_nitro,fr_nitro_arom,fr_nitro_arom_nonortho,fr_nitroso,fr_oxazole,fr_oxime,fr_para_hydroxylation,fr_phenol,fr_phenol_noOrthoHbond,fr_phos_acid,fr_phos_ester,fr_piperdine,fr_piperzine,fr_priamide,fr_prisulfonamd,fr_pyridine,fr_quatN,fr_sulfide,fr_sulfonamd,fr_sulfone,fr_term_acetylene,fr_tetrazole,fr_thiazole,fr_thiocyan,fr_thiophene,fr_unbrch_alkane,fr_urea,SMILE | |
| 0,11.474310279667423,11.474310279667423,0.10515873015872979,-0.20192334341143914,0.7465842529385057,235.67400000000004,225.594,235.05123962,82,0,0.27089501268560184,-0.32601962024118664,0.32601962024118664,0.27089501268560184,1.5625,2.375,3.1875,35.495691391573445,10.101022441247723,2.3493544657713112,-2.3075718998545303,2.3167171980182983,-2.4164453309795477,6.316691840813177,-0.11941348663827386,2.5321259342843483,2.067192660386755,511.95118103973607,11.284092571446669,8.697147812418057,9.453076758436513,7.664703797946448,5.1019491609844865,5.479913633993714,3.968472309473869,4.375672436214476,3.006833211334906,3.3609431082131676,2.0175827133787987,2.2518834722760004,-1.5499999999999998,7034.245845441919,9.660077512218106,3.2187364183402094,1.2285285666706178,97.9142580510185,10.216698334856808,6.041840829147961,0.0,5.959554568743835,5.907179729351506,0.0,4.794537184071822,0.0,4.992404732635669,0.0,17.667306958694127,19.056471336613843,16.273471080121883,6.544756405912575,4.794537184071822,29.155060463011417,0.0,4.899909730850478,4.992404732635669,19.51033443475116,5.316788604006331,28.785186010823153,0.0,0.0,5.316788604006331,5.687386274683562,0.0,11.600939890232516,22.80848485809378,11.339293589984397,0.0,12.487188691387619,23.191505938020498,5.022633313741326,0.0,0.0,44.7,0.0,4.794537184071822,0.0,11.949020558499466,12.50431097465641,16.273471080121883,0.0,0.0,30.02274813592593,10.309193336642,11.600939890232516,0.0,6.125214159737968,17.370977891156464,3.8493509070294785,1.9528395061728399,0.5265696649029985,5.470585474930712,0.0,2.482240173847317,0.0,0.2727272727272727,16,1,4,0,2,2,1,0,1,3,1,5,0,0,0,0,3,1.8522,62.521700000000024,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,2,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,1,0,2,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,CC1C(=O)N=C2N1CC3=C(N2)C=CC=C3Cl | |