diff --git a/20221024151834816.csv b/20221024151834816.csv
deleted file mode 100644
index 3d6cbf4..0000000
--- a/20221024151834816.csv
+++ /dev/null
@@ -1,48 +0,0 @@
-Name,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds
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diff --git a/20221026143605734.csv b/20221026143605734.csv
deleted file mode 100644
index ffb1215..0000000
--- a/20221026143605734.csv
+++ /dev/null
@@ -1,11 +0,0 @@
-Name,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds
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\ No newline at end of file
diff --git a/20221026144157461.csv b/20221026144157461.csv
deleted file mode 100644
index 8e58a80..0000000
--- a/20221026144157461.csv
+++ /dev/null
@@ -1,9 +0,0 @@
-Name,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds
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-"AUTOGEN_20221026144157461_8",0,0.09980000000000165,0.00996004000000033,53.617200000000004,47.95344599999998,6,6,42,20,22,0,18,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3131.0435879999986,3684.250359000003,5914.857188000002,6859.148487000003,5774.710910000011,4378.719270000028,3180.1024319999997,2345.6218999999987,1520.2908149999982,8739.928162897128,11990.796515293932,19976.887068092514,24919.54768804104,24166.718808180987,19370.351437451664,13387.800954897415,8831.534500693868,5477.260496634673,310.238928,337.3600440000002,647.9564000000007,993.3646199999998,1169.8895600000003,1138.798008000002,836.5477440000022,514.2724639999997,323.61596399999996,61.26809190667803,85.16477849599994,146.48608147364104,190.60732895582942,196.01472841916842,165.0833645409404,113.25936279844969,71.29910042092295,43.46937300218804,6721.389325758479,6370.125913387052,12919.321128412934,20599.982408369666,25121.95667348933,25941.475663544377,19229.285947496923,11527.612391050874,7015.956267263589,,,,,,,,,,74.54865685714283,81.87223020000006,67.21428622727275,50.808507311111136,36.091943187500064,27.53911490566055,27.414676137931032,33.50888428571427,35.35560034883717,208.09352768802685,266.4621447843096,227.0100803192331,184.58924213363733,151.04199255113116,121.82610966950732,115.41207719739151,126.16477858134097,127.37815108452727,7.386641142857142,7.496889866666671,7.363140909090917,7.358256444444443,7.311809750000002,7.162251622641522,7.21161848275864,7.346749485714281,7.52595265116279,1.4587640930161436,1.892550633244443,1.6646145622004662,1.4119061404135513,1.2250920526198026,1.0382601543455372,0.9763738172280145,1.0185585774417565,1.0109156512136754,160.0330791847257,141.55835363082338,146.8104673683288,152.59246228421975,157.01222920930832,163.15393499084513,165.769706443939,164.68017701501248,163.16177365729277,,,,,,,,,,0.34741079827286037,-0.16784814269396103,-0.00388756587665179,0.03521433264301791,-0.051594087457378875,0.008632576943966056,0.007571403593946526,0.012709491574693043,-0.005000902996678117,1390.5431502857152,71.54153426530786,171.3107655918387,-392.26809720408096,-1196.312437183668,102.67113591836736,416.89875273469056,211.2473951428558,-152.77479953061265,2239.5782726789826,239.01803442307292,215.1144825862243,-742.9639566515202,-1808.8076159002117,-6.771068484874618,673.4057003189016,345.7267193685572,-341.64182522283227,2.1118422857142845,-0.10164416326530498,0.12105959183673498,-0.2067073469387753,-0.767393469387754,0.11690106122448564,-0.015436408163267405,-0.14483885714285732,-0.21928824489795795,10.154086710608565,1.3426455282906864,0.6760817709446298,-3.4590381245508217,-7.067082386325515,-0.6260346555487555,2.5992247027917434,1.2550705349522775,-1.855151967372923,56.31042385694177,7.72323903051868,3.2083910959287847,-19.0974986543776,-36.840458534905125,-4.410808347788759,13.341496100400285,6.210684694013704,-10.75196106387116,,,,,,,,,,0.008271685673163342,-0.0037299587265324672,-4.417688496195216E-5,2.6084690846679936E-4,-3.2246304660861794E-4,5.42929367545035E-5,6.527072063747004E-5,1.8156416535275777E-4,-1.1630006969018878E-4,33.108170244897984,1.5898118725623969,1.9467132453618035,-2.9056896089191184,-7.476952732397924,0.6457304145809267,3.593954764954229,3.0178199306122258,-3.5529023146654106,53.32329220664244,5.311511876068287,2.44448275666164,-5.503436715937187,-11.305047599376323,-0.04258533638285923,5.80522155447329,4.938953133836532,-7.945158726112378,0.05028195918367344,-0.002258759183673444,0.0013756771799628975,-0.001531165532879817,-0.004796209183673463,7.352268001539977E-4,-1.3307248416609833E-4,-0.0020691265306122474,-0.005099726625533906,0.24176396930020394,0.029836567295348587,0.007682747397098066,-0.025622504626302382,-0.04416926491453447,-0.003937324877665129,0.022407109506825375,0.017929579070746823,-0.04314306900867263,1.3407243775462325,0.17162753401152622,0.03645898972646346,-0.14146295299538963,-0.23025286584315702,-0.02774093300496075,0.11501289741724384,0.08872406705733862,-0.2500456061365386,,,,,,,,,,-0.45093090742482467,-0.005340735456773902,0.03153491546627444,-0.0389839579681826,0.0065637088859229155,0.007890860849468008,0.021950080373801507,-0.01406002044631758,0.04801871745864268,0.05879857542600968,-0.08776352143371285,-0.22583406685091978,0.01950365755052364,0.10855189937619891,0.09115030846735712,-0.10731195014357273,0.09960960128802092,0.04584268254084155,-0.1032088696738726,-0.21200955776635377,-7.986254152843625E-4,0.10886840092274232,0.09262280946001474,-0.14899977847059218,-0.0449218610480648,0.02735925970859107,-0.030451588556576904,-0.09538628290424278,0.014622079411589953,-0.0026465254402677886,-0.041150475522522864,-0.1014225918863915,0.12341196821723185,0.03177788410463356,-0.10598148558061736,-0.18269581295502502,-0.016285821617927115,0.0926817572183469,0.07416150190884419,-0.1784511940863317,0.1280110490163799,0.02719350101859861,-0.10551233002438007,-0.17173765890985088,-0.020691003661566638,0.08578414724414737,0.0661762167849291,-0.18650038018564796,0.0
\ No newline at end of file
diff --git a/open_json.py b/open_json.py
deleted file mode 100644
index c1a9ebe..0000000
--- a/open_json.py
+++ /dev/null
@@ -1,67 +0,0 @@
-import json
-
-with open('EAWAG-SLUDGE.json', encoding='utf-8') as j:
-    data = json.load(j)
-
-data.keys()
-
-
-
-#Find the half-life
-info_halflife = {}
-identifiers_halflife = {}
-
-for i in data['scenarios']:
-    arr =  i['additionalInformationCollection']['additionalInformation']
-    for ii in arr:
-        identifiers_halflife[ii['id']] = ii['identifier']
-        if ii['identifier'] == 'halflife':
-            info_halflife[ii['id']] = ii['data']
-
-halflife_list = []
-list_halflife = list(info_halflife.values())
-for i in list_halflife:
-    ii = i.split(';')
-    halflife_list.append(ii[3])
-
-print(halflife_list)
-print("Number of half-life: {}\n".format(len(halflife_list)))
-
-
-#Find the rate constant
-info_rateconstant = {}
-identifiers_rateconstant = {}
-
-for i in data['scenarios']:
-    arr =  i['additionalInformationCollection']['additionalInformation']
-    for ii in arr:
-        identifiers_rateconstant[ii['id']] = ii['identifier']
-        if ii['identifier'] == 'rateconstant':
-            info_rateconstant[ii['id']] = ii['data']
-
-rateconstant_list = []
-list_rateconstant = list(info_rateconstant.values())
-for i in list_rateconstant:
-    ii = i.split(';')
-    rateconstant_list.append(ii[3])
-
-print(rateconstant_list)
-print("Number of rate constant: {}\n".format(len(rateconstant_list)))
-
-
-
-# res = {}
-# identifier_to_detect ={'rateconstant', 'halflife'}
-# for k, v in identifiers_rateconstant.items():
-#     res[k] = set()
-#     for i in identifier_to_detect:
-#         if i in v:
-#             res[k].add(i)
-#
-# groupby_res = {}
-# for k, v in res.items():
-#     if tuple(v) not in groupby_res:
-#         groupby_res[tuple(v)] = []
-#     groupby_res[tuple(v)].append(k)
-# print({k: len(v) for k, v in groupby_res.items()})
-# groupby_res[('rateconstant', )]
diff --git a/test1.py b/test1.py
deleted file mode 100644
index 8609c29..0000000
--- a/test1.py
+++ /dev/null
@@ -1,93 +0,0 @@
-import sys
-sys.path.insert(0,'C:\envipath_code') 
-from enviPath_python.enviPath import *
-from enviPath_python.objects import *
-import rdkit
-from rdkit import Chem
-from rdkit.Chem.MolStandardize import rdMolStandardize
-from rdkit.Chem import Descriptors
-from rdkit.Chem.rdMolDescriptors import CalcMolFormula
-INSTANCE_HOST = 'https://envipath.org'
-eP = enviPath(INSTANCE_HOST)
-ep.login('leetseng', 'Joan1388')
-
-
-
-def main():
-    package_id = 'https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038'
-    sludge = Package(eP.requester, id=package_id)
-    compounds = sludge.get_compounds()  # get the list of compounds
-
-    analyze_compounds(compounds, "ouputfile.txt")
-
-
-def canonicalize_smiles(smiles):
-    mol = Chem.MolFromSmiles(smiles) # creates mol object from SMILES
-    uncharger = rdMolStandardize.Uncharger() # easier to access
-    uncharged = uncharger.uncharge(mol) # protonates or deprotonates the mol object
-    new_smiles = rdkit.Chem.rdmolfiles.MolToSmiles(uncharged) # converts mol object to canonical SMILES
-    can_smiles = Chem.CanonSmiles(new_smiles)
-    return can_smiles
-
-
-def analyze_compounds(all_compounds, output_filename):
-    header = '{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\n'.format('Index', 'Name', 'ID','Full_SMILES', 'Cropped_SMILES', 'Is_compoiste', 'Canonical_SMILES', 'Cropped_canonical_SMILES', 'Number_halflives')
-    outfile = open(output_filename, 'w')
-    outfile.write(header)   #
-
-    sludge = Package(eP.requester, id=package_id)
-    scenarios = sludge.get_scenarios()
-
-
-    i = 0
-    for scen in scenarios:
-        # is_composite = False
-        i += 1
-        print("Hello, I am compound #", i)
-        # compound = Compound(eP.requester, id=cpd.get_id())
-        # cpd_structure = CompoundStructure(eP.requester, id=cpd.get_id())
-        # cpd_structure.get_scenarios()
-
-        name = compound.get_name()
-        id = compound.get_id()
-        print(id)
-        try:
-            # halflifes = cpd_structure.get_halflifes()
-            scen = cpd_structure.get_scenarios()
-        except:
-            continue
-
-        full_smiles = compound.get_smiles()
-        canonical_smiles = canonicalize_smiles(full_smiles)
-        cropped_smiles = full_smiles
-        if '.' in full_smiles:
-            is_compoiste = True
-            cropped_smiles = full_smiles.split('.')[0]
-        cropped_canonical_smiles = canonicalize_smiles(cropped_smiles)
-
-        data_list = '{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\n'.format(i, name, id, full_smiles, cropped_smiles, is_composite, canonical_smiles,
-                                                                  cropped_canonical_smiles, len(halflifes))
-        outfile.write(data_list)
-    outfile.close()
-
-main()
-
-
-
-
-# #How many cpd/reaction/scenario?
-#
-# print('Number of compounds:', len(compounds))
-# print(compounds[0])
-# compound1 = compounds[0]
-# print(compound1.get_id())
-
-# scenario1 = full_compound1.get_scenarios()
-# print(scenario1)
-
-full_compound1 = CompoundStructure(eP.requester, id='https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/scenario/42f1c95b-2d26-42a8-9bab-691ea20968e8') #load the object of compound or reaction  or scenarios
-# hf1 = full_compound1.get_halflifes()
-
- reaction1 = full_compound1.get_reactions()[0]
-# print(hf1)
- print(reaction1.get_name())
\ No newline at end of file
diff --git a/test2.py b/test2.py
deleted file mode 100644
index d7b42c7..0000000
--- a/test2.py
+++ /dev/null
@@ -1,143 +0,0 @@
-# import sys
-# # sys.path.insert(0, '/Users/jasmin/enviPath-python/enviPath_python/')
-# sys.path.insert(0, '/home/jasmin/enviPath-python/enviPath_python/')
-# from enviPath import *
-# from objects import *
-# import getpass
-# # from subprocess import Popen, PIPE
-# import os
-
-import sys
-sys.path.insert(0,'C:\\Users\\leetseng\\enviPath-python\\')      #C:/envipath_code
-from enviPath_python.enviPath import *
-from enviPath_python.objects import *
-import rdkit
-from rdkit import Chem
-from rdkit.Chem.MolStandardize import rdMolStandardize
-import time
-from rdkit.Chem import Descriptors
-from rdkit.Chem.rdMolDescriptors import CalcMolFormula
-
-
-INSTANCE_HOST = 'https://envipath.org'
-eP = enviPath(INSTANCE_HOST)
-eP.login('leetseng', 'Joan1388')
-print(eP.who_am_i().get_name())
-
-# # Define the instance to use
-# INSTANCE_HOST = 'https://envipath.org'
-# INSTANCE_HOST = 'http://localhost:8080'
-# username = 'jasmin'
-# username = 'admin'
-# eP = enviPath(INSTANCE_HOST)
-#
-# password = getpass.getpass()
-# eP.login(username, password)
-
-
-def main():
-    # Package from where to fetch compounds
-    package_id = 'http://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038'
-    package = Package(eP.requester, id=package_id)
-    compounds = package.get_compounds()
-    print(len(compounds))
-    counter = 0
-    halflife_dict = dict()
-
-    # f = open('halflives.txt', 'a')   made by Kunyang
-    f = open('test_append.txt', 'a')
-
-    for c in compounds:
-
-        counter += 1
-        if counter < 100:
-            continue
-
-        if counter >= 200:      #if counter >= 648: made by Kunyang
-            break
-
-        print("Processing", counter, "/", len(compounds))
-        c.get_scenarios()
-        if len(c.halflifes) != 0:
-            for half_life in c.halflifes:
-                if 'hl' in half_life:
-                    print(c.get_name(), c.halflifes)
-                    if c.get_name() not in halflife_dict:
-                        halflife_dict[c.get_name()] = set()
-                    halflife_dict[c.get_name()].add(half_life['hl'])
-
-        if c.get_name() in halflife_dict:
-            line = c.get_name()
-            for value in halflife_dict[c.get_name()]:
-                line += " " + value
-            line += "\n"
-
-            f.write(line)
-
-        # if counter % 100 == 0:
-        #     time.sleep(20)
-    f.close()
-    print(halflife_dict)
-    #
-    # counter = 0
-    # for c in compounds:
-    #     if counter >= 100:
-    #         break
-    #     counter += 1
-    #     if len(c.halflifes) != 0:
-    #         for half_life in c.halflifes:
-    #             if 'hl' in half_life:
-    #                 print(c.get_name(), c.halflifes)
-            # print(c.get_name(), c.halflifes)
-
-
-
-    # analyze_compounds(compounds, '../output/compound_list_soil.txt')
-
-
-def canonicalize_smiles(smiles):
-    mol = Chem.MolFromSmiles(smiles) # creates mol object from SMILES
-    uncharger = rdMolStandardize.Uncharger() # easier to access
-    uncharged = uncharger.uncharge(mol) # protonates or deprotonates the mol object
-    new_smiles = rdkit.Chem.rdmolfiles.MolToSmiles(uncharged) # converts mol object to canonical SMILES
-    can_smiles = Chem.CanonSmiles(new_smiles)
-    return can_smiles
-
-
-def analyze_compounds(all_compounds, output_filename):
-    # prepare output file
-    header = '{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\n'.format('Index', 'Name', 'ID', 'Full_SMILES', 'Cropped_SMILES',
-                                                           'Is_composite', 'Canonical_SMILES',
-                                                           'Cropped_canonical_SMILES', 'Number_halflives')
-    outfile = open(output_filename, 'w')
-    outfile.write(header)
-
-    # iterate through compounds
-    print("No of compounds:", len(all_compounds))
-    index = 0
-    for cpd in all_compounds:
-        index +=1
-        print('Checking compound #', index)
-        compound_structure = CompoundStructure(eP.requester, id=cpd.get_id())
-        compound = Compound(eP.requester, id=cpd.get_id())
-        # check if compound has halflifes
-        halflives = compound_structure.get_halflifes()
-        name = compound.get_name()
-        id = compound.get_id()
-        #smiles
-        full_smiles = compound.get_smiles()
-        canonical_smiles = canonicalize_smiles(full_smiles)
-
-        cropped_smiles = full_smiles
-        is_composite = False
-        if '.' in full_smiles:
-            is_composite = True
-            cropped_smiles = full_smiles.split('.')[0]
-        cropped_canonical_smiles = canonicalize_smiles(cropped_smiles)
-
-        data_list = '{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\n'.format(index, name, id, full_smiles, cropped_smiles, is_composite, canonical_smiles, cropped_canonical_smiles, len(halflives))
-        outfile.write(data_list)
-
-
-
-main()
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