Ansul_Headspace_cmpdWave,Ansul_Headspace_ExactMass,Ansul_Headspace_logMean_Other,Ansul_Headspace_logMean__CHN,Ansul_Headspace_logMean__CHO,Ansul_Headspace_logMean__CHOF,Ansul_Headspace_logMean__CHON,Ansul_Headspace_MassDefect,Ansul_PortX_cmpdWave,Ansul_PortX_ExactMass,Ansul_PortX_MassDefect,Ansul_Port6_logMean__CHN,Ansul_Port6_logMean__CHO,Ansul_Port6_logMean__CHOF,Ansul_Port6_logMean__CHON,Ansul_Port6_logMean__Other,Ansul_Port8_logMean_CHO,Ansul_Port8_logMean_CHOF,Ansul_Port8_logMean_CHON,Ansul_Port8_logMean_Other,Ansul_Port8_logMean__CHN,NF_Headspace_cmpdWave,NF_Headspace_ExactMass,NF_Headspace_logMean_CHN,NF_Headspace_logMean_CHO,NF_Headspace_logMean_CHOF,NF_Headspace_logMean_CHON,NF_Headspace_logMean_Other,NF_Headspace_logMean_OtherPFAS,NF_Headspace_MassDefect,NF_PortX_cmpdWave,NF_PortX_ExactMass,NF_PortX_MassDefect,NF_Port6_logMean_CHN,NF_Port6_logMean_CHO,NF_Port6_logMean_CHOF,NF_Port6_logMean_CHON,NF_Port6_logMean_Other,NF_Port6_logMean_OtherPFAS,NF_Port8_logMean_CHN,NF_Port8_logMean_CHO,NF_Port8_logMean_CHOF,NF_Port8_logMean_CHON,NF_Port8_logMean_Other,NF_Port8_logMean_OtherPFAS,PS_Headspace_cmpdWave,PS_Headspace_ExactMass,PS_Headspace_logMean_CHN,PS_Headspace_logMean_CHO,PS_Headspace_logMean_CHOF,PS_Headspace_logMean_CHON,PS_Headspace_logMean_Other,PS_Headspace_logMean_OtherPFAS,PS_Headspace_MassDefect,PS_PortX_cmpdWave,PS_PortX_ExactMass,PS_PortX_MassDefect,PS_Port6_logMean_CHN,PS_Port6_logMean_CHO,PS_Port6_logMean_CHOF,PS_Port6_logMean_CHON,PS_Port6_logMean_Other,PS_Port6_logMean_OtherPFAS,PS_Port8_logMean_CHN,PS_Port8_logMean_CHO,PS_Port8_logMean_CHOF,PS_Port8_logMean_CHON,PS_Port8_logMean_Other,'3M_Headspace_CHN','3M_Headspace_CHO','3M_Headspace_CHOF','3M_Headspace_CHON','3M_Headspace_cmpdWave','3M_Headspace_ExactMass','3M_Headspace_MassDefect','3M_Headspace_Other','3M_PortX_cmpdWave','3M_PortX_ExactMass','3M_PortX_MassDefect','3M_Port6_logMean_CHN','3M_Port6_logMean_CHO','3M_Port6_logMean_CHOF','3M_Port6_logMean_CHON','3M_Port6_logMean_Other','3M_Port8_logMean_CHN','3M_Port8_logMean_CHO','3M_Port8_logMean_CHOF','3M_Port8_logMean_CHON','3M_Port8_logMean_Other'
BH3IO3-,188.92191,,,,,,-0.078094482,BH3IO3-,188.92191,-0.078094482,,,,,,,,,,,CHI2O2-,298.80661,,,,,0.96395558,,-0.19338989,BH3IO3-,188.92191,-0.078094482,,,,,,,,,,,,,CHI2O2-,298.80661,,,,,1.3654557,,-0.19338989,BH3IO3-,188.92191,-0.078094482,,,,,,,,,,,,,,,,BH3IO3-,188.92191,-0.078094482,,BH3IO3-,188.92191,-0.078094482,,,,,,,,,,
CClIN-,187.8765,-0.29366896,,,,,-0.12350464,Br-,78.918297,-0.081703186,,,,,,,,,,,CH2IO2-,172.9099,,1.1359065,,,,,-0.090103149,Br-,78.918297,-0.081703186,,,,,,,,,,,,,CH2IO2-,172.9099,,1.2821369,,,,,-0.090103149,Br-,78.918297,-0.081703186,,,,,,,,,,,1.6907138,,,,,CHI2O2-,298.80661,-0.19338989,1.8471869,Br-,78.918297,-0.081703186,,,,,,,,,,1.2158829
CHI2O2-,298.80661,0.40948564,,,,,-0.19338989,BrINO2-,251.8157,-0.18429565,,,,,,,,,0.86388731,,CH3INO-,171.9259,,,,-0.058313526,,,-0.07409668,BrINO2-,251.8157,-0.18429565,,,,,,,,,,,,,CH3INO-,171.9259,,,,1.4090455,,,-0.07409668,BrINO2-,251.8157,-0.18429565,,,,,,,,,,,1.2407603,,2.4022896,,,CH2IO2-,172.9099,-0.090103149,,BrINO2-,251.8157,-0.18429565,,,,,,,,,,0.79308039
CH2IO2-,172.9099,,,0.56945461,,,-0.090103149,CFH2O2-,65.003799,0.0037994385,,,,,,,,,,,CH3I2O-,284.8273,,,,,,,-0.17269897,CFH2O2-,65.003799,0.0037994385,,,,,,,,,,,,,CH3I2O-,284.8273,,,,,,,-0.17269897,CFH2O2-,65.003799,0.0037994385,,,,,,,,,,,,,,,,CH3I2O-,284.8273,-0.17269897,,CFH2O2-,65.003799,0.0037994385,,,,,,,,,,
CH3INO-,171.9259,,,,,0.79595846,-0.07409668,CFH2O3-,80.998703,-0.0012969971,,,,,,,,,,,CH3I2O2-,300.8222,,,,,-0.6871748,,-0.17779541,CFH2O3-,80.998703,-0.0012969971,,,,,,,,,,,,,CH3I2O2-,300.8222,,,,,,,-0.17779541,CFH2O3-,80.998703,-0.0012969971,,,,,,,,,,,,,,,,CH3I2O2-,300.8222,-0.17779541,,CFH2O3-,80.998703,-0.0012969971,,,,,,,,,,
CH3I2O-,284.8273,,,,,,-0.17269897,CFH3IO2-,192.91611,-0.083892822,,,,,,,,,,,CH4IN2O-,186.9368,,,,3.0339377,,,-0.063201904,CFH3IO2-,192.91611,-0.083892822,,,,,,,,,0.41693851,,,,CH5I2O2-,302.8378,,,,,,,-0.16220093,CFH3IO2-,192.91611,-0.083892822,,,,,,,,,1.8604963,,,,,,1.326082,CH4IN2O-,186.9368,-0.063201904,,CFH3IO2-,192.91611,-0.083892822,,,0.76859105,,,,,1.0591531,,
CH3I2O2-,300.8222,,,,,,-0.17779541,CFH4I2O-,304.8335,-0.16650391,,,,,,,,,0.74518138,,CH5IN3O4-,249.9324,,,,2.4698634,,,-0.067596436,CFH4I2O-,304.8335,-0.16650391,,,,,,,,,,,,,CI2N-,279.8121,,,,,-0.66757834,,-0.18789673,CFH4I2O-,304.8335,-0.16650391,,,,,,,,,,,0.097056277,,2.1459725,,,CH4IO2-,174.92551,-0.074493408,,CFH4I2O-,304.8335,-0.16650391,,,,,,,,,,-0.6155557
CH4IN2O-,186.9368,,,,,,-0.063201904,CFO2-,62.988201,-0.011798859,,,,,,,,,,,CH5I2N2O-,314.84909,,,,,,,-0.15090942,CFO2-,62.988201,-0.011798859,,,,,,,,,,,,,CI2NO-,295.80701,,,,,0.86702031,,-0.19299316,CFO2-,62.988201,-0.011798859,,,,,,,,,,,,,,,,CI2N-,279.8121,-0.18789673,-0.62386149,CFO2-,62.988201,-0.011798859,,,,,,,,,,
CH5IN3O4-,249.9324,,,,,,-0.067596436,CF2H3O2-,85.010002,0.010002136,,,,,,,,,,,CH5I2O2-,302.8378,,,,,-0.99743801,,-0.16220093,CF2H3O2-,85.010002,0.010002136,,,,,,,,,,,,,C2F2H2IO2-,222.90669,,,,,,,-0.093307495,CF2H3O2-,85.010002,0.010002136,,,,,,,,,,,,,,,,C2F2H2INO-,220.9149,-0.085098267,,CF2H3O2-,85.010002,0.010002136,,,,,,,,,,
CH5I2N2O-,314.84909,-0.52396721,,,,,-0.15090942,CF2H3O3-,101.0049,0.0048980713,,,,,,,,,,,CI2N-,279.8121,,,,,-0.60710025,,-0.18789673,CF2H3O3-,101.0049,0.0048980713,,,,,,,,,,,,,C2F3HIO2-,240.89729,,,,,,,-0.10270691,CF2H3O3-,101.0049,0.0048980713,,,,,,,,,,,,,,-0.13128658,,C2F2H2IO2-,222.90669,-0.093307495,,CF2H3O3-,101.0049,0.0048980713,,,,,,,,,,
CH5I2O2-,302.8378,,,,,,-0.16220093,CF2H5I2O-,324.83969,-0.16030884,,,,,,,,,1.4622514,,CI2NO-,295.80701,,,,,-0.52852398,,-0.19299316,CF2H5I2O-,324.83969,-0.16030884,,,,,,,,,,,,,C2H2IO3-,200.9048,,,,,,,-0.095199585,CF2H5I2O-,324.83969,-0.16030884,,,,,,,,,,,1.6101964,,,,,C2F3HIO2-,240.89729,-0.10270691,,CF2H5I2O-,324.83969,-0.16030884,,,,,,,,,,1.2794772
CI2N-,279.8121,-0.82203525,,,,,-0.18789673,CF3-,68.995201,-0.0047988892,,,,,,,,,,,C2F2H2IO2-,222.90669,,,,,,,-0.093307495,CF3-,68.995201,-0.0047988892,,,,,,,,,,,,,C2H2IO4-,216.8997,,,,,,,-0.10029602,CF3-,68.995201,-0.0047988892,,,,,,,,,,,,,-0.46500251,,,C2H2IO3-,200.9048,-0.095199585,,CF3-,68.995201,-0.0047988892,,,,,,,,,,
CI2NO-,295.80701,-0.61513466,,,,,-0.19299316,CHIN-,153.91541,-0.084594727,2.7070067,,,,,,,,,2.6458011,C2F3HIO2-,240.89729,,,,,,,-0.10270691,CHIN-,153.91541,-0.084594727,2.2736273,,,,,,2.9242384,,,,,,C2H2I2O-,295.81949,,,,,,,-0.18051147,CHIN-,153.91541,-0.084594727,2.3783371,,,,,,3.1043859,,,,,,,,3.1008029,C2H3INO-,183.9259,-0.07409668,,CHIN-,153.91541,-0.084594727,2.0553548,,,,,3.119463,,,,
ClINO2-,207.8663,-0.3204028,,,,,-0.13369751,CHINO-,169.91029,-0.089706421,,,,3.329895,,,,3.1556907,,,C2H2IO3-,200.9048,,,,,,,-0.095199585,CHINO-,169.91029,-0.089706421,,,,2.795572,,,,,,3.2641003,,,C2H3I2O2-,312.8222,,,,,2.0078411,,-0.17779541,CHINO-,169.91029,-0.089706421,,,,2.6765075,,,,,,3.1819699,,,,,0.071643814,C2H4IN2O2-,214.9317,-0.06829834,,CHINO-,169.91029,-0.089706421,,,,2.8477538,,,,,3.3541062,
ClIO-,177.8683,-0.80718011,,,,,-0.13169861,CHINS-,185.8875,-0.11250305,1.7417344,,,,,,,,,2.1485584,C2H2IO4-,216.8997,,,,,,,-0.10029602,CHINS-,185.8875,-0.11250305,,,,,1.8445837,,,,,,1.6218197,,C2H3O2-,59.013199,,,,,,,0.013198853,CHINS-,185.8875,-0.11250305,,,,,1.4822451,,,,,,2.5773795,,2.2136345,,,C2H4IO2-,186.92551,-0.074493408,,CHINS-,185.8875,-0.11250305,,,,,2.7017701,,,,,2.1295993
ClI2-,288.77789,-0.50860947,,,,,-0.22210693,CHN2O3-,88.998703,-0.0012969971,,,,,,,,,,,C2H2I2O-,295.81949,,,,,-0.90631801,,-0.18051147,CHN2O3-,88.998703,-0.0012969971,,,,,,,,,,,,,C2H4IN2O8-,310.90109,,,,,,,-0.098907471,CHN2O3-,88.998703,-0.0012969971,,,,,,,,,,,,,1.0293263,,,C2H4IO3-,202.92039,-0.079605103,,CHN2O3-,88.998703,-0.0012969971,,,,,,,,,,
Cl2I-,196.8423,-0.62057054,,,,,-0.15769958,CHO2-,44.997601,-0.0023994446,,,,,,,,,,,C2H3I2O2-,312.8222,,,,,0.68262154,,-0.17779541,CHO2-,44.997601,-0.0023994446,,,,,,,,,,,,,C2H4IO2-,186.92551,,0.99992412,,,,,-0.074493408,CHO2-,44.997601,-0.0023994446,,,,,,,,,,,,,,,1.1621615,C2H5INO-,185.9415,-0.058502197,,CHO2-,44.997601,-0.0023994446,,,,,,,,,,
C2ClH3IO2-,220.8866,0.50389862,,,,,-0.11340332,CHO3-,60.9925,-0.0074996948,,,,,,,,,,,C2H3O2-,59.013199,,,,,,,0.013198853,CHO3-,60.9925,-0.0074996948,,,,,,,,,,,,,C2H4IO3-,202.92039,,-0.21523832,,,,,-0.079605103,CHO3-,60.9925,-0.0074996948,,,,,,,,,,,,,,,1.0465703,C2H5INO2-,201.9364,-0.063598633,,CHO3-,60.9925,-0.0074996948,,,,,,,,,,
C2F2H2IO2-,222.90669,,,,,,-0.093307495,CH2IO2-,172.9099,-0.090103149,,0.56587195,,,,0.28542307,,,,,C2H4IN2O2-,214.9317,,,,0.47904691,,,-0.06829834,CH2IO2-,172.9099,-0.090103149,,0.25784433,,,,,,0.18990943,,,,,C2H4O4-,92.010803,,,,,,,0.010803223,CH2IO2-,172.9099,-0.090103149,,1.3781836,,,,,,2.2240622,,,,,2.3305569,,,C2H6IO2-,188.9411,-0.058898926,,CH2IO2-,172.9099,-0.090103149,,0.75500178,,,,,0.69754636,,,
C2F3HIO2-,240.89729,,,,,,-0.10270691,CH2NO4-,91.998299,-0.001701355,,,,,,,,,,,C2H4IN2O8-,310.90109,,,,,,,-0.098907471,CH2NO4-,91.998299,-0.001701355,,,,,,,,,,,,,C2H5INO2-,201.9364,,,,0.84654659,,,-0.063598633,CH2NO4-,91.998299,-0.001701355,,,,,,,,,,,,,,0.7990303,,C3F2H6IO2-,238.9379,-0.062103271,,CH2NO4-,91.998299,-0.001701355,,,,,,,,,,
C2H2IO3-,200.9048,,,,,,-0.095199585,CH2NO5-,107.9932,-0.0067977905,,,,,,,,,,,C2H4IO2-,186.92551,,3.2407076,,,,,-0.074493408,CH2NO5-,107.9932,-0.0067977905,,,,,,,,,,,,,C2H5O3-,77.023697,,,,,,,0.023696899,CH2NO5-,107.9932,-0.0067977905,,,,,,,,,,,,,,0.21765168,,C3F3H3IO2-,254.9129,-0.087097168,,CH2NO5-,107.9932,-0.0067977905,,,,,,,,,,
C2H2IO4-,216.8997,,,-0.85183293,,,-0.10029602,CH3I2O-,284.8273,-0.17269897,,,,,,,,,,,C2H4IO3-,202.92039,,-0.21310505,,,,,-0.079605103,CH3I2O-,284.8273,-0.17269897,,,,,,,,,,,,,C2H6IO2-,188.9411,,2.5244644,,,,,-0.058898926,CH3I2O-,284.8273,-0.17269897,,,,,,,,,,,,,,0.69737488,,C3F3H5IO2-,256.9285,-0.071502686,,CH3I2O-,284.8273,-0.17269897,,,,,,,,,,
C2H2I2O-,295.81949,,,,,,-0.18051147,CH3O4-,79.002998,0.0029983521,,,,,,,,,,,C2H4O4-,92.010803,,,,,,,0.010803223,CH3O4-,79.002998,0.0029983521,,,,,,,,,,,,,C2H6IO3-,204.936,,1.2938361,,,,,-0.063995361,CH3O4-,79.002998,0.0029983521,,,,,,,,,,,,,,0.3625038,,C3F4H4IO2-,274.9191,-0.0809021,,CH3O4-,79.002998,0.0029983521,,,,,,,,,,
C2H3I2O2-,312.8222,0.7968598,,,,,-0.17779541,CH4IN2O-,186.9368,-0.063201904,,,,0.1125299,,,,-0.24115621,,,C2H5INO2-,201.9364,,,,1.4248018,,,-0.063598633,CH4IN2O-,186.9368,-0.063201904,,,,-0.4208298,,,,,,-0.3593739,,,C3F5HIO2-,290.8941,,,,,,,-0.105896,CH4IN2O-,186.9368,-0.063201904,,,,-0.057758179,,,,,,-0.28366914,,,,,,C3F5HIO2-,290.8941,-0.105896,,CH4IN2O-,186.9368,-0.063201904,,,,-0.25720507,,,,,-0.43787026,
C2H3O2-,59.013199,,,,,,0.013198853,CIN2O2-,198.9005,-0.099502563,,,,,,,,,2.3586793,,C2H5O3-,77.023697,,,,,,,0.023696899,CIN2O2-,198.9005,-0.099502563,,,,,,,,,,,,,C3F5HIO3-,306.88901,,,,,,,-0.11099243,CIN2O2-,198.9005,-0.099502563,,,,,,,,,,2.3861499,,,,1.6436421,,C3F5H3IO-,276.91479,-0.085205078,,CIN2O2-,198.9005,-0.099502563,,,,,,,,,,2.3167226
C2H4IN2O2-,214.9317,,,,,,-0.06829834,CIN2O3-,214.8954,-0.104599,,,,,,,,,2.5207829,,C2H6IO2-,188.9411,,3.1065922,,,,,-0.058898926,CIN2O3-,214.8954,-0.104599,,,,,,,,,,,,,C3H3I2O2-,324.8222,,,,,1.9998378,,-0.17779541,CIN2O3-,214.8954,-0.104599,,,,,,,,,,2.3861499,,,,6.2127314,,C3F6H2IO-,294.9054,-0.094604492,,CIN2O3-,214.8954,-0.104599,,,,,,,,,,2.2985935
C2H4IN2O8-,310.90109,,,,,,-0.098907471,CIO3-,186.88921,-0.11079407,,,,,,,,,1.5212371,,C2H6IO2S-,220.91319,,,,,,,-0.086807251,CIO3-,186.88921,-0.11079407,,,,,,,,,,,,,C3H3O2-,71.013199,,,,,,,0.013198853,CIO3-,186.88921,-0.11079407,,,,,,,,,,,,,,0.2495057,,C3F6H2IO2-,310.9003,-0.099700928,,CIO3-,186.88921,-0.11079407,,,,,,,,,,0.77603269
C2H4IO2-,186.92551,,,2.1587813,,,-0.074493408,CI2N-,279.8121,-0.18789673,,,,,,,,,0.54719019,,C2H6IO3-,204.936,,2.6373606,,,,,-0.063995361,CI2N-,279.8121,-0.18789673,,,,,,,,,,,,,C3H4IO2-,198.92551,,1.9892651,,,,,-0.074493408,CI2N-,279.8121,-0.18789673,,,,,,,,,,,-0.70292848,,-0.28114605,,,C3H2IO3-,212.9048,-0.095199585,,CI2N-,279.8121,-0.18789673,,,,,,,,,,
C2H4IO3-,202.92039,,,-0.66252154,,,-0.079605103,CI2NO-,295.80701,-0.19299316,,,,,,,,,1.3358239,,C3F5HIO2-,290.8941,,,,,,,-0.105896,CI2NO-,295.80701,-0.19299316,,,,,,,,,,,,,C3H4IO3-,214.92039,,,,,,,-0.079605103,CI2NO-,295.80701,-0.19299316,,,,,,,,,,,1.0994705,,,,,C3H3I2O2-,324.8222,-0.17779541,2.705097,CI2NO-,295.80701,-0.19299316,,,,,,,,,,1.2647597
C2H4O4-,92.010803,,,,,,0.010803223,ClFH-,54.975101,-0.024898529,,,,,,,,,,,C3F5HIO3-,306.88901,,,,,,,-0.11099243,ClFH-,54.975101,-0.024898529,,,,,,,,,,,,,C3H4IO4-,230.9153,,,,,,,-0.084701538,ClFH-,54.975101,-0.024898529,,,,,,,,,,,1.3334627,,,,,C3H3O2-,71.013199,0.013198853,,ClFH-,54.975101,-0.024898529,,,,,,,,,,1.1293375
C2H5INO-,185.9415,,,,,1.4036019,-0.058502197,ClFI-,180.8718,-0.12820435,,,,,,,,,-0.33840045,,C3H3I2O2-,324.8222,,,,,,,-0.17779541,ClFI-,180.8718,-0.12820435,,,,,,,,,,,,,C3H5INO-,197.9415,,,,3.3178658,,,-0.058502197,ClFI-,180.8718,-0.12820435,,,,,,,,,,,-0.017746493,2.2741244,,,,C3H4IN2-,194.94189,-0.058105469,,ClFI-,180.8718,-0.12820435,,,,,,,,,,-0.24272344
C2H5INO2-,201.9364,,,,,0.1611158,-0.063598633,ClHNO2-,81.969597,-0.030403137,,,,,,,,,,,C3H3O2-,71.013199,,,,,,,0.013198853,ClHNO2-,81.969597,-0.030403137,,,,,,,,,,,,,C3H5O3-,89.023697,,,,,,,0.023696899,ClHNO2-,81.969597,-0.030403137,,,,,,,,,,,1.8335361,,3.8627379,,,C3H4IO2-,198.92551,-0.074493408,,ClHNO2-,81.969597,-0.030403137,,,,,,,,,,1.5844938
C2H5O3-,77.023697,,,,,,0.023696899,ClINO2-,207.8663,-0.13369751,,,,,,,,,1.1934166,,C3H4IN2-,194.94189,1.7680904,,,,,,-0.058105469,ClINO2-,207.8663,-0.13369751,,,,,1.1703259,,,,,,,,C3H6IO3-,216.936,,,,,,,-0.063995361,ClINO2-,207.8663,-0.13369751,,,,,,,,,,,1.3518182,,-0.33610836,,,C3H4IO3-,214.92039,-0.079605103,,ClINO2-,207.8663,-0.13369751,,,,,,,,,,0.61119473
C2H6IO2-,188.9411,,,2.0750318,,,-0.058898926,ClI2-,288.77789,-0.22210693,,,,,,,,,1.4768965,,C3H4IO2-,198.92551,,,,,,,-0.074493408,ClI2-,288.77789,-0.22210693,,,,,1.6027815,,,,,,,,C3H7INO2-,215.952,,,,0.80735964,,,-0.04800415,ClI2-,288.77789,-0.22210693,,,,,,,,,,,1.8405284,,,,,C3H4IO4-,230.9153,-0.084701538,,ClI2-,288.77789,-0.22210693,,,,,,,,,,1.137028
C2H6IO2S-,220.91319,,,,,,-0.086807251,Cl2I-,196.8423,-0.15769958,,,,,,,,,0.92126179,,C3H4IO3-,214.92039,,,,,,,-0.079605103,Cl2I-,196.8423,-0.15769958,,,,,0.56759137,,,,,,,,C3H7I2O3-,344.8483,,,,,1.7120662,,-0.15170288,Cl2I-,196.8423,-0.15769958,,,,,1.1250477,,,,,,0.7582829,,,,1.789788,C3H5INO-,197.9415,-0.058502197,,Cl2I-,196.8423,-0.15769958,,,,,,,,,,1.0228441
C2H6IO3-,204.936,,,0.6956709,,,-0.063995361,CNS-,57.975201,-0.024799347,,,,,,,,,,,C3H4IO4-,230.9153,,,,,,,-0.084701538,CNS-,57.975201,-0.024799347,,,,,,,,,,,,,C3H8IOS-,218.9339,,,,,,,-0.066101074,CNS-,57.975201,-0.024799347,,,,,0.90017229,,,,,,2.2682738,,,,-0.70720178,C3H5INO3-,229.9313,-0.068695068,,CNS-,57.975201,-0.024799347,,,,,,,,,,1.7513168
C3ClH3IO2-,232.8866,1.9615484,,,,,-0.11340332,C2ClH3IO2-,220.8866,-0.11340332,,,,,0.52247822,,,,0.064934775,,C3H5INO-,197.9415,,,,0.41229281,,,-0.058502197,C2ClH3IO2-,220.8866,-0.11340332,,,,,0.14396602,,,,,,,,C3H8IO3-,218.9516,,-0.10750463,,,,,-0.048400879,C2ClH3IO2-,220.8866,-0.11340332,,,,,0.5855912,,,,,,1.4664623,,,,,C3H5I2O3-,342.8327,-0.16729736,1.7643726,C2ClH3IO2-,220.8866,-0.11340332,,,,,0.30943906,,,,,0.16694386
C3F3H3IO2-,254.9129,,,,,,-0.087097168,C2FH3IO2-,204.91611,-0.083892822,,,-0.3090468,,,,0.070372321,,,,C3H5INO3-,229.9313,,,,0.41196287,,,-0.068695068,C2FH3IO2-,204.91611,-0.083892822,,,-0.47966978,,,-0.47966978,,,0.0084505072,,,0.0084505072,C3H9I2O3-,346.86389,,,,,1.8380892,,-0.1361084,C2FH3IO2-,204.91611,-0.083892822,,,0.54040724,,,0.54040724,,,1.0278299,,,,,,,C3H5O3-,89.023697,0.023696899,,C2FH3IO2-,204.91611,-0.083892822,,,-0.24309108,,,,,0.093287729,,
C3F5HIO2-,290.8941,,,,,,-0.105896,C2F2H2I-,190.9169,-0.083099365,,,1.8816121,,,,1.0188723,,,,C3H5O3-,89.023697,,,,,,,0.023696899,C2F2H2I-,190.9169,-0.083099365,,,,,,,,,,,,,C4F5H8IO-,293.9538,,,,,,,-0.046203613,C2F2H2I-,190.9169,-0.083099365,,,,,,,,,,,,,2.0986831,,,C3H6IO2-,200.9411,-0.058898926,,C2F2H2I-,190.9169,-0.083099365,,,,,,,,,,1.4537101
C3F5HIO3-,306.88901,,,,,,-0.11099243,C2F2H2INO-,220.9149,-0.085098267,,,,,,,,,,,C3H6IO3-,216.936,,,,,,,-0.063995361,C2F2H2INO-,220.9149,-0.085098267,,,,,,,,,,,,,C4F6H2IO2-,322.9003,,,,,,,-0.099700928,C2F2H2INO-,220.9149,-0.085098267,,,,,,,,,,,,,1.9771677,,,C3H6IO3-,216.936,-0.063995361,,C2F2H2INO-,220.9149,-0.085098267,,,,,,,,,,
C3H3I2O2-,324.8222,2.1968215,,,,,-0.17779541,C2F2H2IO2-,222.90669,-0.093307495,,,0.32866237,,,,1.1279259,,,,C3H7INO2-,215.952,,,,0.066358797,,,-0.04800415,C2F2H2IO2-,222.90669,-0.093307495,,,0.2052528,,,0.2052528,,,0.31965458,,,0.31965458,C4F7HIO2-,340.8909,,,,,,,-0.10910034,C2F2H2IO2-,222.90669,-0.093307495,,,0.96529818,,,0.96529818,,,1.1145023,,,,-0.057560235,,,C3H6IO4-,232.93089,-0.069107056,,C2F2H2IO2-,222.90669,-0.093307495,,,0.44405234,,,,,0.49720606,,
C3H3O2-,71.013199,,,,,,0.013198853,C2F2INO3-,250.8891,-0.11090088,,,,,1.1872965,,,,0.58391953,,C3H7I2O3-,344.8483,,,,,1.1494298,,-0.15170288,C2F2INO3-,250.8891,-0.11090088,,,,,,0.2135883,,,,,,,C4H6IO3-,228.936,,,,,,,-0.063995361,C2F2INO3-,250.8891,-0.11090088,,,,,,,,,,,,,,,0.50647956,C3H7INO2-,215.952,-0.04800415,,C2F2INO3-,250.8891,-0.11090088,,,,,,1.0313506,1.0313506,1.0313506,,1.0313506
C3H4IN2-,194.94189,,-0.29662046,,,,-0.058105469,C2F3HIO2-,240.89729,-0.10270691,,,1.8602773,,,,2.2459922,,,,C3H8IOS-,218.9339,,,,,,,-0.066101074,C2F3HIO2-,240.89729,-0.10270691,,,1.082971,,,1.082971,,,1.5064945,,,1.5064945,C4H7INO3-,243.9469,,,,-0.84931201,,,-0.053100586,C2F3HIO2-,240.89729,-0.10270691,,,1.6456091,,,1.6456091,,,2.2714803,,,,,,,C3H7O4-,107.0342,0.034202576,,C2F3HIO2-,240.89729,-0.10270691,,,1.2833232,,,,,2.3056808,,
C3H4IO2-,198.92551,,,2.9142792,,,-0.074493408,C2F3HNO4-,159.9857,-0.014297485,,,,,,,,,,,C3H8IO2-,202.9567,,3.3398221,,,,,-0.043304443,C2F3HNO4-,159.9857,-0.014297485,,,,,,,,,,,,,C4H8IO2-,214.9567,,1.2319989,,,,,-0.043304443,C2F3HNO4-,159.9857,-0.014297485,,,,,,,,,,,,,-0.74243075,,,C3H8IO3-,218.9516,-0.048400879,,C2F3HNO4-,159.9857,-0.014297485,,,,,,,,,,
C3H4IO3-,214.92039,,,-0.71731853,,,-0.079605103,C2F3HNO5-,175.98061,-0.019393921,,,,,,,,,,,C3H8IO3-,218.9516,,1.0387717,,,,,-0.048400879,C2F3HNO5-,175.98061,-0.019393921,,,,,,,,,,,,,C4H8IO3-,230.9516,,0.16910209,,,,,-0.048400879,C2F3HNO5-,175.98061,-0.019393921,,,,,,,,,,,,,,,,C3H8I2N2-,325.87759,-0.12240601,1.9440079,C2F3HNO5-,175.98061,-0.019393921,,,,,,,,,,
C3H4IO4-,230.9153,,,,,,-0.084701538,C2F3H2INO-,239.9133,-0.086700439,,,0.89567649,,,,2.0650141,,,,C3H9I2O3-,346.86389,,,,,,,-0.1361084,C2F3H2INO-,239.9133,-0.086700439,,,,,,0.24341182,,,,,,1.9462936,C4H8IO4-,246.9465,,0.065561503,,,,,-0.053497314,C2F3H2INO-,239.9133,-0.086700439,0.64696366,0.64696366,0.64696366,0.64696366,0.64696366,0.64696366,1.8397359,1.8397359,1.8397359,1.8397359,1.8397359,,,0.6945051,,C4F6H4IO-,308.92099,-0.07901001,,C2F3H2INO-,239.9133,-0.086700439,,,-0.11675031,,,,,1.9711084,,
C3H5INO-,197.9415,,,,,3.4769683,-0.058502197,C2F3H2O3-,130.9955,-0.0045013428,,,,,,,,,,,C4F5H8IO-,293.9538,,,,,,,-0.046203613,C2F3H2O3-,130.9955,-0.0045013428,,,,,,,,,,,,,C4H10IO3-,232.96719,,2.5749781,,,,,-0.032806396,C2F3H2O3-,130.9955,-0.0045013428,,,,,,,,,,,,,,,,C4F7HIO2-,340.8909,-0.10910034,,C2F3H2O3-,130.9955,-0.0045013428,,,,,,,,,,
C3H5INO2-,213.9364,,,,,0.79727024,-0.063598633,C2F3O2-,112.985,-0.01499939,,,,,,,,,,,C4F6H2IO2-,322.9003,,,,,,,-0.099700928,C2F3O2-,112.985,-0.01499939,,,,,,,,,,,,,C5F8H2IO2-,372.89709,,,,,,,-0.10290527,C2F3O2-,112.985,-0.01499939,,,,,,,,,,,,1.6363505,1.6363505,1.6363505,1.6363505,C4F7H2INO-,339.90689,-0.093109131,1.6363505,C2F3O2-,112.985,-0.01499939,,,,,,,,,,
C3H5INO3-,229.9313,,,,,,-0.068695068,C2F4HO2-,132.9912,-0.0088043213,,,,,,,,,,,C4F7HIO2-,340.8909,,,,,,,-0.10910034,C2F4HO2-,132.9912,-0.0088043213,,,,,,,,,,,,,C5F9HIO2-,390.8877,,,,,,,-0.11230469,C2F4HO2-,132.9912,-0.0088043213,,,,,,,,,,,,,,2.4799268,,C4F8H2IO-,344.90219,-0.097808838,,C2F4HO2-,132.9912,-0.0088043213,,,,,,,,,,
C3H5O3-,89.023697,,,,,,0.023696899,C2F4H2INO-,258.91171,-0.088287354,,,0.34568119,,,,0.2759448,,,,C4F9H5I-,350.92911,,,,,,,-0.070892334,C2F4H2INO-,258.91171,-0.088287354,,,,,,0.19920564,,,,,,,C5F11HO3-,317.97491,,,,,,,-0.025085449,C2F4H2INO-,258.91171,-0.088287354,,,,,,,1.1671869,1.1671869,1.1671869,1.1671869,1.1671869,,,1.1542543,,C4F9HIO-,362.89279,-0.10720825,,C2F4H2INO-,258.91171,-0.088287354,,,,,,,,-0.026767982,,-0.026767982
C3H6IO2-,200.9411,,,1.3405225,,,-0.058898926,C2H2IO3-,200.9048,-0.095199585,,0.89350927,,,,0.27861959,,,,,C4H6IO3-,228.936,,,,,,,-0.063995361,C2H2IO3-,200.9048,-0.095199585,,-0.24822566,,,,,,-0.3155624,,,,,C5H6IO4-,256.93091,,-0.96591938,,,,,-0.069091797,C2H2IO3-,200.9048,-0.095199585,,0.00060406886,,,,,,0.64231431,,,,,,,1.082171,C4H4IN3O3-,268.92969,-0.0703125,,C2H2IO3-,200.9048,-0.095199585,,0.32216972,,,,,0.050076358,,,
C3H6IO3-,216.936,,,,,,-0.063995361,C2H2IO4-,216.8997,-0.10029602,,1.2195845,,,,0.71129334,,,,,C4H6IO4-,244.93089,,-0.6344493,,,,,-0.069107056,C2H2IO4-,216.8997,-0.10029602,,0.49632174,,,,,,0.35127872,,,,,C5H7INO3-,255.9469,,,,-0.8112582,,,-0.053100586,C2H2IO4-,216.8997,-0.10029602,,0.55746132,,,,,,0.36711359,,,,,,,,C4H4IO3-,226.92039,-0.079605103,,C2H2IO4-,216.8997,-0.10029602,,0.38741338,,,,,0.27050737,,,
C3H7INO2-,215.952,,,,,-0.096285857,-0.04800415,C2H2NO4-,103.9983,-0.001701355,,,,,,,,,,,C4H7INO3-,243.9469,,,,-0.033810381,,,-0.053100586,C2H2NO4-,103.9983,-0.001701355,,,,,,,,,,,,,C5H8IO3-,242.9516,,-0.85747248,,,,,-0.048400879,C2H2NO4-,103.9983,-0.001701355,,,,,,,,,,,,,1.0656914,,,C4H4IO4-,242.9153,-0.084701538,,C2H2NO4-,103.9983,-0.001701355,,,,,,,,,,
C3H7I2O3-,344.8483,0.037633408,,,,,-0.15170288,C2H3INO-,183.9259,-0.07409668,,,,0.27538672,,,,0.32652026,,,C4H8IO2-,214.9567,,0.71311456,,,,,-0.043304443,C2H3INO-,183.9259,-0.07409668,,,,-0.55714852,,,,,,0.58828956,,,C5H8IO4-,258.9465,,,,,,,-0.053497314,C2H3INO-,183.9259,-0.07409668,,,,1.3626202,,,,,,1.9334428,,,,,,C4H5O4-,117.0186,0.018600464,,C2H3INO-,183.9259,-0.07409668,,,,0.30100375,,,,,0.39007142,
C3H8IOS-,218.9339,,,,,,-0.066101074,C2H3INO2-,199.92081,-0.079193115,,,,-0.60926223,,,,-0.4822166,,,C4H8IO3-,230.9516,,-0.39109004,,,,,-0.048400879,C2H3INO2-,199.92081,-0.079193115,,,,,,,,,,0.061001647,,,C5H8IO5-,274.94141,,,,,,,-0.05859375,C2H3INO2-,199.92081,-0.079193115,,,,0.81781012,,,,,,1.4487867,,1.828452,,,,C4H6IN2-,208.9575,-0.042495728,,C2H3INO2-,199.92081,-0.079193115,,,,-0.18042855,,,,,-0.013349694,
C3H8IO2-,202.9567,,,-0.12480263,,,-0.043304443,C2H3O2-,59.013199,0.013198853,,,,,,,,,,,C4H8IO4-,246.9465,,0.08511579,,,,,-0.053497314,C2H3O2-,59.013199,0.013198853,,,,,,,,,,,,,C5H10IO6-,292.9519,,,,,,,-0.048095703,C2H3O2-,59.013199,0.013198853,,,,,,,,,,,,,,,-0.54773766,C4H6IN3O3-,270.94531,-0.0546875,,C2H3O2-,59.013199,0.013198853,,,,,,,,,,
C3H8IO3-,218.9516,,,,,,-0.048400879,C2H4IN2O2-,214.9317,-0.06829834,,,,0.52000988,,,,0.06441883,,,C4H9INO2-,229.96761,,,,0.17498428,,,-0.032394409,C2H4IN2O2-,214.9317,-0.06829834,,,,0.061272569,,,,,,0.10393471,,,C5H12IO4S-,294.9498,,,,,,,-0.050201416,C2H4IN2O2-,214.9317,-0.06829834,,,,0.34895837,,,,,,0.3499437,,,,,,C4H6IO3-,228.936,-0.063995361,,C2H4IN2O2-,214.9317,-0.06829834,,,,0.14296782,,,,,0.10398199,
C3H9I2O3-,346.86389,-0.091054425,,,,,-0.1361084,C2H4IO2-,186.92551,-0.074493408,,-0.33722794,,,,-0.36160579,,,,,C4H10INO3-,246.97031,,,,2.0062885,,,-0.029693604,C2H4IO2-,186.92551,-0.074493408,,0.14433832,,,,,,-0.096964724,,,,,C5H13I2O5-,406.88489,,,,,,,-0.1151123,C2H4IO2-,186.92551,-0.074493408,,1.0301566,,,,,,1.9373701,,,,,,,,C4H6IO4-,244.93089,-0.069107056,,C2H4IO2-,186.92551,-0.074493408,,-0.46420437,,,,,-0.68061763,,,
C4F5H8IO-,293.9538,,,,,,-0.046203613,C2H4IO3-,202.92039,-0.079605103,,1.4053683,,,,0.74258763,,,,,C4H10IO3-,232.96719,,2.2477036,,,,,-0.032806396,C2H4IO3-,202.92039,-0.079605103,,0.46211672,,,,,,0.4322494,,,,,C6F11HIO2-,440.88449,,,-0.31337401,,,-0.31337401,-0.11550903,C2H4IO3-,202.92039,-0.079605103,,0.56525183,,,,,,1.4731543,,,,,,,-0.22157598,C4H7INO3-,243.9469,-0.053100586,,C2H4IO3-,202.92039,-0.079605103,,1.1093191,,,,,0.85314405,,,
C4F6H2IO2-,322.9003,,,,,,-0.099700928,C2IN2O-,194.90559,-0.094406128,,,,,,,,,2.1365473,,C4H11INO3-,247.9781,,,,1.8071674,,,-0.021896362,C2IN2O-,194.90559,-0.094406128,,,,,,,,,,,,,C6H5INO3-,265.9313,,,,,,,-0.068695068,C2IN2O-,194.90559,-0.094406128,,,,,,,,,,2.0337923,,,2.0276775,,,C4H8IO2-,214.9567,-0.043304443,,C2IN2O-,194.90559,-0.094406128,,,,,,,,,2.2042651,
C4F7HIO2-,340.8909,,,,,,-0.10910034,C2IN2O2-,210.9005,-0.099502563,,,,,,,,,2.6580911,,C4H11I2O3-,360.87949,,,,,1.1014767,,-0.12051392,C2IN2O2-,210.9005,-0.099502563,,,,,,,,,,,,,C6H6IO4-,268.93091,,,,,,,-0.069091797,C2IN2O2-,210.9005,-0.099502563,,,,,,,,,,2.579443,,,0.58465379,,,C4H8IO3-,230.9516,-0.048400879,,C2IN2O2-,210.9005,-0.099502563,,,,,,,,,2.7669973,
C4F9H5I-,350.92911,,,,,,-0.070892334,C3FH5IO2-,218.9317,-0.06829834,,,-0.21876033,,,,-0.91847634,,,,C4H12IO4-,250.97771,,1.4451692,,,,,-0.022293091,C3FH5IO2-,218.9317,-0.06829834,,,,,,,,,,,,,C6H8IO4-,270.9465,,,,,,,-0.053497314,C3FH5IO2-,218.9317,-0.06829834,,,,,,,,,,,,,-0.21744806,,,C4H8IO4-,246.9465,-0.053497314,,C3FH5IO2-,218.9317,-0.06829834,,,,,,,,,,
C4H6IO3-,228.936,,,,,,-0.063995361,C3F2IO2Si-,260.86801,-0.13198853,,,,,,,,,0.77828968,,C4H12IO5-,266.9726,,1.4706782,,,,,-0.027404785,C3F2IO2Si-,260.86801,-0.13198853,,,,,-0.35154012,,,,,,0.11762105,,C6H10IO3-,256.96719,,,,,,,-0.032806396,C3F2IO2Si-,260.86801,-0.13198853,,,,,,,,,,,,,,,-0.47937992,C4H9INO2-,229.96761,-0.032394409,,C3F2IO2Si-,260.86801,-0.13198853,,,,,,,,,,
C4H6IO4-,244.93089,,,,,,-0.069107056,C3F3H2O4-,158.9904,-0.0095977783,,,,,,,,,,,C5F5H5IO4-,350.9151,,,,,,,-0.084899902,C3F3H2O4-,158.9904,-0.0095977783,,,,,,,,,,,,,C6H10IO4-,272.9621,,,,,,,-0.037902832,C3F3H2O4-,158.9904,-0.0095977783,,,,,,,,,,,,,2.5897927,,,C4H10IO3-,232.96719,-0.032806396,,C3F3H2O4-,158.9904,-0.0095977783,,,,,,,,,,
C4H7INO3-,243.9469,,,,,,-0.053100586,C3F4H2IO2-,272.9035,-0.096496582,,,-0.08961881,,,,0.12978815,,,,C5F8H2IO2-,372.89709,,,,,,,-0.10290527,C3F4H2IO2-,272.9035,-0.096496582,,,,,,-0.33544791,,,-0.63080966,,,-0.63080966,C6H10IO5-,288.957,,-0.66945004,,,,,-0.042999268,C3F4H2IO2-,272.9035,-0.096496582,,,0.50454503,,,0.50454503,,,0.37553346,,,,,0.13892548,,C5F3H7IO2-,282.94409,-0.055908203,,C3F4H2IO2-,272.9035,-0.096496582,,,-0.34714815,,,,,-0.12507509,,
C4H8IO2-,214.9567,,,1.8055928,,,-0.043304443,C3F5HIO2-,290.8941,-0.105896,,,0.40237775,,,,0.41457024,,,,C5F9HIO2-,390.8877,,,,,,,-0.11230469,C3F5HIO2-,290.8941,-0.105896,,,,,,-0.073999368,,,-0.10846245,,,-0.10846245,C6H12IO2-,242.9879,,2.3833673,,,,,-0.01210022,C3F5HIO2-,290.8941,-0.105896,,,0.54055333,,,0.54055333,,,0.69022828,,,,,1.2961438,,C5F7H5IO-,340.92719,-0.072814941,,C3F5HIO2-,290.8941,-0.105896,,,-0.061693601,,,,,0.9682402,,
C4H8IO3-,230.9516,,,0.059704971,,,-0.048400879,C3F5HIO3-,306.88901,-0.11099243,,,0.88827735,,,,0.4603799,,,,C5F11HO3-,317.97491,,,,,,,-0.025085449,C3F5HIO3-,306.88901,-0.11099243,,,,,,0.49536562,,,0.12197146,,,0.12197146,C6H12IO3-,258.98279,,0.75837594,,,,,-0.017211914,C3F5HIO3-,306.88901,-0.11099243,,,1.1031644,,,1.1031644,,,0.76443404,,,,,1.2842211,,C5F8H4IO-,358.91779,-0.082214355,,C3F5HIO3-,306.88901,-0.11099243,,,0.23630674,,,,,0.38406223,,
C4H8IO4-,246.9465,,,,,,-0.053497314,C3F5HNO5-,225.9774,-0.022598267,,,,,,,,,,,C5H6IO4-,256.93091,,-0.76407248,,,,,-0.069091797,C3F5HNO5-,225.9774,-0.022598267,,,,,,,,,,,,,C6H12IO4-,274.97769,,-0.37875885,,,,,-0.02230835,C3F5HNO5-,225.9774,-0.022598267,,,,,,,,,,,,,,,,C5F8H4IO3-,390.90759,-0.092407227,,C3F5HNO5-,225.9774,-0.022598267,,,,,,,,,,
C4H9INO2-,229.96761,,,,,,-0.032394409,C3F5O2-,162.9818,-0.018203735,,,,,,,,,,,C5H7INO3-,255.9469,,,,-0.50551856,,,-0.053100586,C3F5O2-,162.9818,-0.018203735,,,,,,,,,,,,,C6H13IN2O8-,367.97131,,,,,,,-0.028686523,C3F5O2-,162.9818,-0.018203735,,,,,,,,,,,,,,,,C5F9HIO2-,390.8877,-0.11230469,,C3F5O2-,162.9818,-0.018203735,,,,,,,,,,
C4H10INO3-,246.97031,,,,,0.6785146,-0.029693604,C3F6HO2-,182.98801,-0.011993408,,,,,,,,,,,C5H8IO3-,242.9516,,-0.23983854,,,,,-0.048400879,C3F6HO2-,182.98801,-0.011993408,,,,,,,,,,,,,C6H13I2O2-,370.90021,,,,,1.1610062,,-0.09979248,C3F6HO2-,182.98801,-0.011993408,,,,,,,,,,,,,,2.1664956,,C5F10H2IO-,394.89899,-0.10101318,,C3F6HO2-,182.98801,-0.011993408,,,,,,,,,,
C4H10IO2-,216.97231,,,1.1561148,,,-0.027694702,C3F6H2IO2-,310.9003,-0.099700928,,,1.6188016,,,,3.2675998,,,,C5H8IO4-,258.9465,,-0.9726668,,,,,-0.053497314,C3F6H2IO2-,310.9003,-0.099700928,,,1.3520242,,,1.3520242,,,2.7210963,,,2.7210963,C6H14IO2-,245.00349,,3.9488447,,,,,0.0034942627,C3F6H2IO2-,310.9003,-0.099700928,,,2.5252867,,,2.5252867,,,3.2211776,,,,,,1.4513843,C5H5INO-,221.9415,-0.058502197,,C3F6H2IO2-,310.9003,-0.099700928,,,0.8650592,,,,,3.1705709,,
C4H10IO3-,232.96719,,,2.5683253,,,-0.032806396,C3F7O-,184.9837,-0.016296387,,,,,,,,,,,C5H8IO5-,274.94141,,-0.64659965,,,,,-0.05859375,C3F7O-,184.9837,-0.016296387,,,,,,,,,,,,,C6H14IO3-,260.99841,,1.8844461,,,,,-0.0015869141,C3F7O-,184.9837,-0.016296387,,,,,,,,,,,,,0.36791158,,,C5H6IO3-,240.936,-0.063995361,,C3F7O-,184.9837,-0.016296387,,,,,,,,,,
C4H10IO5-,264.957,,,0.98674428,,,-0.042999268,C3H2IN3O3-,254.91409,-0.085906982,,,,0.37929937,,,,0.10783894,,,C5H9INO3-,257.96249,,,,0.31675836,,,-0.037506104,C3H2IN3O3-,254.91409,-0.085906982,,,,0.029612456,,,,,,-0.06186568,,,C6H14IO4-,276.99329,,1.112395,,,,,-0.0067138672,C3H2IN3O3-,254.91409,-0.085906982,,,,0.24973781,,,,,,0.68744588,,,,,,C5H7INO3-,255.9469,-0.053100586,,C3H2IN3O3-,254.91409,-0.085906982,,,,0.17699991,,,,,0.19885041,
C4H11INO3-,247.9781,,,,,0.41469842,-0.021896362,C3H2IO3-,212.9048,-0.095199585,,0.070269726,,,,-0.38407603,,,,,C5H10IO6-,292.9519,,,,,,,-0.048095703,C3H2IO3-,212.9048,-0.095199585,,-0.84989274,,,,,,-0.48372406,,,,,C7F11H5IO-,440.92081,,,0.54736805,,,0.54736805,-0.079193115,C3H2IO3-,212.9048,-0.095199585,,0.49186367,,,,,,1.1259096,,,,,-0.042431097,,,C5H8IO3-,242.9516,-0.048400879,,C3H2IO3-,212.9048,-0.095199585,,-0.81507313,,,,,-0.44563562,,,
C4H11I2O3-,360.87949,-0.566939,,,,,-0.12051392,C3H3INO-,195.9259,-0.07409668,,,,0.49001774,,,,0.32365924,,,C5H12IO4-,262.97769,,0.29984763,,,,,-0.02230835,C3H3INO-,195.9259,-0.07409668,,,,-0.11623592,,,,,,0.25210831,,,C7H7INO4-,295.9418,,,,-0.78287023,,,-0.058197021,C3H3INO-,195.9259,-0.07409668,,,,1.1732836,,,,,,1.581735,,,-0.41506848,,,C5H8IO4-,258.9465,-0.053497314,,C3H3INO-,195.9259,-0.07409668,,,,0.065768994,,,,,0.1209871,
C4H12IO4-,250.97771,,,-0.11772306,,,-0.022293091,C3H3INO2-,211.92081,-0.079193115,,,,1.1763065,,,,0.67005014,,,C5H12IO4S-,294.9498,,,,,,,-0.050201416,C3H3INO2-,211.92081,-0.079193115,,,,0.40461642,,,,,,0.63074321,,,C7H7IN3-,259.96841,3.2857268,,,,,,-0.031585693,C3H3INO2-,211.92081,-0.079193115,,,,0.68533742,,,,,,1.475809,,,,,0.98304707,C5H9INO3-,257.96249,-0.037506104,,C3H3INO2-,211.92081,-0.079193115,,,,0.98561859,,,,,0.86050582,
C4H12IO5-,266.9726,,,-0.26082331,,,-0.027404785,C3H4IO3-,214.92039,-0.079605103,,0.58891892,,,,0.079206198,,,,,C5H13I2O5-,406.88489,,,,,,,-0.1151123,C3H4IO3-,214.92039,-0.079605103,,0.03037934,,,,,,-0.12335747,,,,,C7H8IO4-,282.9465,,,,,,,-0.053497314,C3H4IO3-,214.92039,-0.079605103,,0.0059149656,,,,,,0.43799946,,,,,0.87263018,,,C5H10IO2-,228.97231,-0.027694702,,C3H4IO3-,214.92039,-0.079605103,,0.15240458,,,,,-0.26162937,,,
C5F5H5IO4-,350.9151,,,,,,-0.084899902,C3H4IO4-,230.9153,-0.084701538,,0.85321575,,,,0.41005242,,,,,C6F11HIO2-,440.88449,,,,,,,-0.11550903,C3H4IO4-,230.9153,-0.084701538,,0.2849319,,,,,,0.25093696,,,,,C7H8IO5-,298.94141,,,,,,,-0.05859375,C3H4IO4-,230.9153,-0.084701538,,0.49219885,,,,,,0.98090255,,,,,0.56251281,,,C5H10IO3-,244.96719,-0.032806396,,C3H4IO4-,230.9153,-0.084701538,,0.4322021,,,,,0.28793627,,,
C5F8H2IO2-,372.89709,,,,,,-0.10290527,C3H5INO-,197.9415,-0.058502197,,,,0.44263145,,,,0.2136718,,,C6H4INO-,232.9337,,,,-0.091518655,,,-0.066299438,C3H5INO-,197.9415,-0.058502197,,,,-0.36942661,,,,,,0.14586934,,,C7H10IO5-,300.957,,,,,,,-0.042999268,C3H5INO-,197.9415,-0.058502197,,,,0.77502024,,,,,,1.4690906,,,,,,C5H10IO6-,292.9519,-0.048095703,,C3H5INO-,197.9415,-0.058502197,,,,-0.071159713,,,,,0.18135168,
C5F9HIO2-,390.8877,,,,,,-0.11230469,C3H5INO2-,213.9364,-0.063598633,,,,0.25101188,,,,0.18372305,,,C6H5INO3-,265.9313,,,,,,,-0.068695068,C3H5INO2-,213.9364,-0.063598633,,,,-0.14810421,,,,,,-0.13668358,,,C7H12IO4-,286.97769,,,,,,,-0.02230835,C3H5INO2-,213.9364,-0.063598633,,,,0.30081794,,,,,,1.1565915,,,-0.45431787,,,C5H12IO4-,262.97769,-0.02230835,,C3H5INO2-,213.9364,-0.063598633,,,,0.37764743,,,,,0.29178116,
C5F11HO3-,317.97491,,,,,,-0.025085449,C3H5O3-,89.023697,0.023696899,,,,,,,,,,,C6H6IO4-,268.93091,,-0.9181096,,,,,-0.069091797,C3H5O3-,89.023697,0.023696899,,,,,,,,,,,,,C8F13H5IO-,490.9176,,,1.4367824,,,1.4367824,-0.082397461,C3H5O3-,89.023697,0.023696899,,,,,,,,,,,,,,1.1378633,,C6F8H6IO-,372.93341,-0.066589355,,C3H5O3-,89.023697,0.023696899,,,,,,,,,,
C5H6IO4-,256.93091,,,,,,-0.069091797,C3H6IO2-,200.9411,-0.058898926,,0.96484995,,,,0.0080371089,,,,,C6H8IO4-,270.9465,,,,,,,-0.053497314,C3H6IO2-,200.9411,-0.058898926,,-0.42905062,,,,,,-0.19281973,,,,,C8F15H6INO2-,559.92023,,,,,,,-0.079772949,C3H6IO2-,200.9411,-0.058898926,,0.52026403,,,,,,1.368836,,,,,,2.0007889,,C6F9H5IO-,390.92401,-0.07598877,,C3H6IO2-,200.9411,-0.058898926,,0.29256138,,,,,0.31601885,,,
C5H7INO3-,255.9469,,,,,-0.18329239,-0.053100586,C3H6IO3-,216.936,-0.063995361,,1.3976936,,,,0.80291069,,,,,C6H8IO5-,286.94141,,-0.79821873,,,,,-0.05859375,C3H6IO3-,216.936,-0.063995361,,0.62565768,,,,,,0.57065558,,,,,C8H10IO4-,296.9621,,,,,,,-0.037902832,C3H6IO3-,216.936,-0.063995361,,0.57635969,,,,,,1.193206,,,,,,-0.77167231,,C6F11HIO2-,440.88449,-0.11550903,,C3H6IO3-,216.936,-0.063995361,,0.62728244,,,,,0.57054371,,,
C5H8IO3-,242.9516,,,,,,-0.048400879,C3H6IO4-,232.93089,-0.069107056,,0.49703988,,,,0.070632443,,,,,C6H10IO3-,256.96719,,-0.91200489,,,,,-0.032806396,C3H6IO4-,232.93089,-0.069107056,,0.020851595,,,,,,-0.12561899,,,,,C8H10IO5-,312.957,,,,,,,-0.042999268,C3H6IO4-,232.93089,-0.069107056,,0.17513976,,,,,,0.26885682,,,,,,3.1617501,,C6F12H2IO-,444.89581,-0.10418701,,C3H6IO4-,232.93089,-0.069107056,,0.24118838,,,,,0.098250203,,,
C5H8IO4-,258.9465,,,,,,-0.053497314,C3H7INO2-,215.952,-0.04800415,,,,0.13015975,,,,-0.36308154,,,C6H10IO4-,272.9621,,,,,,,-0.037902832,C3H7INO2-,215.952,-0.04800415,,,,-0.69911957,,,,,,-0.66745216,,,C8H12IO4-,298.97769,,,,,,,-0.02230835,C3H7INO2-,215.952,-0.04800415,,,,-0.47010526,,,,,,0.09098845,,,,,-0.20248599,C6H5INO3-,265.9313,-0.068695068,,C3H7INO2-,215.952,-0.04800415,,,,-0.76527858,,,,,-0.60964394,
C5H8IO5-,274.94141,,,,,,-0.05859375,C3H8IO3-,218.9516,-0.048400879,,0.49061009,,,,0.107726,,,,,C6H10IO5-,288.957,,0.21248019,,,,,-0.042999268,C3H8IO3-,218.9516,-0.048400879,,-0.044889692,,,,,,0.053719711,,,,,C8H12IO5-,314.9726,,-0.76784515,,,,,-0.027404785,C3H8IO3-,218.9516,-0.048400879,,0.16732024,,,,,,0.35494611,,,,,,,,C6H6IS-,236.9234,-0.076599121,0.72542322,C3H8IO3-,218.9516,-0.048400879,,-0.085372612,,,,,-0.11145645,,,
C5H9INO-,225.9727,,,,,0.53782326,-0.027297974,C4F6HO4-,226.9778,-0.022201538,,,,,,,,,,,C6H12IO2-,242.9879,,0.09701404,,,,,-0.01210022,C4F6HO4-,226.9778,-0.022201538,,,,,,,,,,,,,C8H14IO4-,300.99329,,,,,,,-0.0067138672,C4F6HO4-,226.9778,-0.022201538,,,,,,,,,,,,,0.55593228,,,C6H8IO3-,254.9516,-0.048400879,,C4F6HO4-,226.9778,-0.022201538,,,,,,,,,,
C5H9INO3-,257.96249,,,,,,-0.037506104,C4F6H2IO2-,322.9003,-0.099700928,,,0.6312362,,,,0.16277109,,,,C6H12IO3-,258.98279,,-0.25887913,,,,,-0.017211914,C4F6H2IO2-,322.9003,-0.099700928,,,0.10495633,,,0.10495633,,,-0.049304403,,,-0.049304403,C8H14IO5-,316.98819,,-0.6920985,,,,,-0.011810303,C4F6H2IO2-,322.9003,-0.099700928,,,0.70077688,,,0.70077688,,,0.65149879,,,,-0.27503544,,,C6H8IO5-,286.94141,-0.05859375,,C4F6H2IO2-,322.9003,-0.099700928,,,0.1710529,,,,,0.33105356,,
C5H10IO5-,276.957,,,-0.19547576,,,-0.042999268,C4F6H2IO4-,354.89011,-0.1098938,,,0.37216556,,,,1.02802,,,,C6H12IO4-,274.97769,,-0.26237738,,,,,-0.02230835,C4F6H2IO4-,354.89011,-0.1098938,,,-0.56034291,,,-0.56034291,,,-0.75007069,,,-0.75007069,C8H16IO3-,287.01401,,0.23624724,,,,,0.014007568,C4F6H2IO4-,354.89011,-0.1098938,,,-0.0033347686,,,-0.0033347686,,,0.60517943,,,,-0.69873339,,,C6H8IO6-,302.93631,-0.063690186,,C4F6H2IO4-,354.89011,-0.1098938,,,-0.74656713,,,,,0.51538861,,
C5H10IO6-,292.9519,,,,,,-0.048095703,C4F7HIO2-,340.8909,-0.10910034,,,0.83931243,,,,0.92492533,,,,C6H13INO3-,273.99371,,,,1.7820902,,,-0.0062866211,C4F7HIO2-,340.8909,-0.10910034,,,0.46729493,,,0.46729493,,,0.57483834,,,0.57483834,C8H16IO4-,303.00891,,1.2540723,,,,,0.0089111328,C4F7HIO2-,340.8909,-0.10910034,,,0.98169029,,,0.98169029,,,1.3779902,,,,-0.58802265,,,C6H10IO4-,272.9621,-0.037902832,,C4F7HIO2-,340.8909,-0.10910034,,,0.5337252,,,,,1.5739496,,
C5H12IO2-,230.9879,,,1.3428167,,,-0.01210022,C4F7HIO3-,356.8858,-0.11419678,,,1.0888774,,,,0.71971738,,,,C6H13IN2O8-,367.97131,,,,,,,-0.028686523,C4F7HIO3-,356.8858,-0.11419678,,,0.74597991,,,0.74597991,,,0.46120626,,,0.46120626,C8H16IO6S-,366.97079,,,,,,,-0.029205322,C4F7HIO3-,356.8858,-0.11419678,,,1.0967661,,,1.0967661,,,1.0620917,,,,,,,C6H10IO5-,288.957,-0.042999268,,C4F7HIO3-,356.8858,-0.11419678,,,0.4474901,,,,,0.88722461,,
C5H12IO4-,262.97769,,,,,,-0.02230835,C4H2IN2-,204.9263,-0.073699951,1.4640925,,,,,,,,,1.700247,C6H13I2O2-,370.90021,,,,,-0.96167165,,-0.09979248,C4H2IN2-,204.9263,-0.073699951,0.38450867,,,,,,0.4977628,,,,,,C8H18IO3-,289.0296,,2.997546,,,,,0.029602051,C4H2IN2-,204.9263,-0.073699951,1.741594,,,,,,2.0625858,,,,,,,,0.24660368,C6H11INO4-,287.97299,-0.027008057,,C4H2IN2-,204.9263,-0.073699951,0.34644216,,,,,0.19751514,,,,
C5H12IO4S-,294.9498,,,,,,-0.050201416,C4H3INO2-,223.92081,-0.079193115,,,,0.76954496,,,,0.74403983,,,C6H14IO2-,245.00349,,1.2122357,,,,,0.0034942627,C4H3INO2-,223.92081,-0.079193115,,,,0.25528491,,,,,,0.40754297,,,C8H18IO4-,305.02451,,1.0614738,,,,,0.024505615,C4H3INO2-,223.92081,-0.079193115,,,,1.2230757,,,,,,1.8399085,,,0.75689065,,,C6H12IO3-,258.98279,-0.017211914,,C4H3INO2-,223.92081,-0.079193115,,,,0.68483877,,,,,0.52219903,
C5H13I2O5-,406.88489,,,,,,-0.1151123,C4H4IO3-,226.92039,-0.079605103,,0.85101032,,,,0.27436575,,,,,C6H14IO3-,260.99841,,0.8354302,,,,,-0.0015869141,C4H4IO3-,226.92039,-0.079605103,,0.081180058,,,,,,-0.045590367,,,,,C8H18IO5-,321.01941,,1.6762359,,,,,0.01940918,C4H4IO3-,226.92039,-0.079605103,,0.88493067,,,,,,1.6198912,,,,,,1.0502127,,C7F11H5IO-,440.92081,-0.079193115,,C4H4IO3-,226.92039,-0.079605103,,0.46140429,,,,,0.23730235,,,
C6F9H5IO-,390.92401,,,,0.46871114,,-0.07598877,C4H4IO4-,242.9153,-0.084701538,,0.74799556,,,,1.0358175,,,,,C6H14IO4-,276.99329,,0.61852741,,,,,-0.0067138672,C4H4IO4-,242.9153,-0.084701538,,0.16458975,,,,,,0.21796019,,,,,C9F13H7IO2S-,552.90021,,,,,,3.7468877,-0.09979248,C4H4IO4-,242.9153,-0.084701538,,0.44392228,,,,,,0.94452447,,,,,,-0.083034322,,C7F13HIO2-,490.88129,-0.11871338,,C4H4IO4-,242.9153,-0.084701538,,0.13925712,,,,,0.19424863,,,
C6F11HIO2-,440.88449,,,,,,-0.11550903,C4H5INO2-,225.9364,-0.063598633,,,,0.8111397,,,,0.47439143,,,C7F11H5IO-,440.92081,,,0.049786728,,,,-0.079193115,C4H5INO2-,225.9364,-0.063598633,,,,0.2458497,,,,,,0.31103915,,,C9H8I2O-,385.8663,,,,,1.8418686,,-0.13369751,C4H5INO2-,225.9364,-0.063598633,,,,0.70877343,,,,,,1.2732683,,,,2.4318278,,C7F14H2IO-,494.89261,-0.10739136,,C4H5INO2-,225.9364,-0.063598633,,,,0.78786868,,,,,0.6512751,
C6H4INO-,232.9337,,,,,-0.13046426,-0.066299438,C4H6IO3-,228.936,-0.063995361,,0.70192075,,,,0.17834872,,,,,C7H7INO4-,295.9418,,,,-0.30380815,,,-0.058197021,C4H6IO3-,228.936,-0.063995361,,0.057687122,,,,,,-0.065651648,,,,,C9H11INO-,275.98831,,,,1.5412518,,,-0.011688232,C4H6IO3-,228.936,-0.063995361,,0.28585172,,,,,,1.0110626,,,,,,,,C7H7IN2O3-,293.95001,-0.049987793,,C4H6IO3-,228.936,-0.063995361,,0.26561362,,,,,-0.0061846008,,,
C6H4INO2-,248.9286,,,,,-0.55047345,-0.071395874,C4H6IO4-,244.93089,-0.069107056,,0.76937479,,,,0.46907052,,,,,C7H7IN3-,259.96841,2.1676402,,,,,,-0.031585693,C4H6IO4-,244.93089,-0.069107056,,0.20730793,,,,,,0.15986517,,,,,C9H12IO4-,310.97769,,-0.53391147,,,,,-0.02230835,C4H6IO4-,244.93089,-0.069107056,,0.3478145,,,,,,0.60418403,,,,2.1638536,,,,C7H7IN3-,259.96841,-0.031585693,,C4H6IO4-,244.93089,-0.069107056,,0.35746369,,,,,0.2065178,,,
C6H5INO3-,265.9313,,,,,,-0.068695068,C4H6IO5-,260.92581,-0.074188232,,0.70970762,,,,0.28586802,,,,,C7H8INO-,248.9649,,,,1.0917077,,,-0.035095215,C4H6IO5-,260.92581,-0.074188232,,0.15402479,,,,,,0.073126197,,,,,C9H12IO5-,326.9726,,-0.6152826,,,,,-0.027404785,C4H6IO5-,260.92581,-0.074188232,,0.37240773,,,,,,0.44639352,,,,,,,0.26707593,C7H9INO4-,297.9574,-0.042602539,,C4H6IO5-,260.92581,-0.074188232,,0.15062191,,,,,0.053760059,,,
C6H6IO4-,268.93091,,,-0.88602722,,,-0.069091797,C4H8IO2-,214.9567,-0.043304443,,2.1149335,,,,1.7285569,,,,,C7H8IO4-,282.9465,,,,,,,-0.053497314,C4H8IO2-,214.9567,-0.043304443,,-0.53565943,,,,,,0.22790596,,,,,C9H12IO6-,342.9675,,-0.46915188,,,,,-0.032501221,C4H8IO2-,214.9567,-0.043304443,,1.1298423,,,,,,2.2600369,,,,,-0.79340345,,,C7H10IO4-,284.9621,-0.037902832,,C4H8IO2-,214.9567,-0.043304443,,0.33204791,,,,,1.6248108,,,
C6H6IO5-,284.92581,,,,,,-0.074188232,C4H8IO3-,230.9516,-0.048400879,,0.73935306,,,,0.18922904,,,,,C7H8IO5-,298.94141,,-0.99124199,,,,,-0.05859375,C4H8IO3-,230.9516,-0.048400879,,0.1600147,,,,,,0.096255124,,,,,C9H13IN4O-,320.01321,,,,1.5584466,,,0.013214111,C4H8IO3-,230.9516,-0.048400879,,0.29445341,,,,,,0.89291626,,,,,,,,C7H10IO5-,300.957,-0.042999268,,C4H8IO3-,230.9516,-0.048400879,,0.51472312,,,,,0.31859982,,,
C6H8IO3-,254.9516,,,1.3246839,,,-0.048400879,C4H8IO4-,246.9465,-0.053497314,,0.53015983,,,,0.23932643,,,,,C7H10IO5-,300.957,,-0.78143811,,,,,-0.042999268,C4H8IO4-,246.9465,-0.053497314,,0.011352996,,,,,,-0.037069976,,,,,C9H13IN4O3-,352.00299,,,,2.1245279,,,0.0029907227,C4H8IO4-,246.9465,-0.053497314,,0.20061487,,,,,,1.175563,,,,,-0.47966447,,,C7H12IO4-,286.97769,-0.02230835,,C4H8IO4-,246.9465,-0.053497314,,0.32357237,,,,,0.19912243,,,
C6H8IO4-,270.9465,,,,,,-0.053497314,C5F8HO4-,276.97461,-0.025390625,,,,,,,,,,,C7H12IO4-,286.97769,,,,,,,-0.02230835,C5F8HO4-,276.97461,-0.025390625,,,,,,,,,,,,,C9H14IO4-,312.99329,,,,,,,-0.0067138672,C5F8HO4-,276.97461,-0.025390625,,,,,,,,,,,,,-0.75393438,,,C7H12IO5-,302.9726,-0.027404785,,C5F8HO4-,276.97461,-0.025390625,,,,,,,,,,
C6H8IO5-,286.94141,,,,,,-0.05859375,C5F8H2IO2-,372.89709,-0.10290527,,,0.74664289,,,,1.3496155,,,,C7H12IO5-,302.9726,,-0.65950298,,,,,-0.027404785,C5F8H2IO2-,372.89709,-0.10290527,,,0.34258395,,,0.34258395,,,1.2245271,,,1.2245271,C9H14IO5-,328.98819,,-0.91559881,,,,,-0.011810303,C5F8H2IO2-,372.89709,-0.10290527,,,0.87855917,,,0.87855917,,,1.0106804,,,,,0.6932826,,C8F15HIO2-,540.87811,-0.12188721,,C5F8H2IO2-,372.89709,-0.10290527,,,0.57847548,,,,,2.0800617,,
C6H10IO3-,256.96719,,,-0.85153413,,,-0.032806396,C5F9HIO2-,390.8877,-0.11230469,,,0.74861211,,,,0.39807382,,,,C7H15INO3-,288.00931,,,,1.5158906,,,0.0093078613,C5F9HIO2-,390.8877,-0.11230469,,,0.47433165,,,0.47433165,,,0.30931449,,,0.30931449,C9H16IO3-,299.01401,,,,,,,0.014007568,C5F9HIO2-,390.8877,-0.11230469,,,0.83388007,,,0.83388007,,,1.0985231,,,,,2.8913541,,C8F16H2IO-,544.8894,-0.1105957,,C5F9HIO2-,390.8877,-0.11230469,,,0.43588287,,,,,0.62529802,,
C6H10IO4-,272.9621,,,,,,-0.037902832,C5F9HIO3-,406.8826,-0.11740112,,,0.61077011,,,,0.13032024,,,,C8F13H5IO-,490.9176,,,-0.41361511,,,-0.41361511,-0.082397461,C5F9HIO3-,406.8826,-0.11740112,,,0.29806951,,,0.29806951,,,-0.070394054,,,-0.070394054,C9H16IO4-,315.00891,,-0.37387425,,,,,0.0089111328,C5F9HIO3-,406.8826,-0.11740112,,,0.64596713,,,0.64596713,,,0.40960905,,,,,,,C8F17O3S-,498.9296,-0.070404053,0.28538769,C5F9HIO3-,406.8826,-0.11740112,,,0.032056808,,,,,-0.01516644,,
C6H10IO5-,288.957,,,,,,-0.042999268,C5F9O2-,262.9754,-0.024597168,,,,,,,,,,,C8F14H3INO3-,553.89331,,,,,,,-0.10668945,C5F9O2-,262.9754,-0.024597168,,,,,,,,,,,,,C9H17INO2-,298.03,,,,0.59322685,,,0.029998779,C5F9O2-,262.9754,-0.024597168,,,,,,,,,,,,,,,,C8H8IO4-,294.9465,-0.053497314,,C5F9O2-,262.9754,-0.024597168,,,,,,,,,,
C6H12IO2-,242.9879,,,1.3048111,,,-0.01210022,C5F9O3-,278.97031,-0.029693604,,,,,,,,,,,C8F15H6INO2-,559.92023,,,,,,,-0.079772949,C5F9O3-,278.97031,-0.029693604,,,,,,,,,,,,,C9H17INO3-,314.0249,,,,-0.24964938,,,0.024902344,C5F9O3-,278.97031,-0.029693604,,,,,,,,,,,,,,,,C8H10IO4-,296.9621,-0.037902832,,C5F9O3-,278.97031,-0.029693604,,,,,,,,,,
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C6H12IO4-,274.97769,,,,,,-0.02230835,C5H5INO2-,237.9364,-0.063598633,,,,0.82842308,,,,0.43511176,,,C8H10IO4-,296.9621,,-0.99944317,,,,,-0.037902832,C5H5INO2-,237.9364,-0.063598633,,,,0.37774697,,,,,,0.35639295,,,C10F13H10NSO2I,581.9267,,,,,,3.000443,-0.073303223,C5H5INO2-,237.9364,-0.063598633,,,,0.73754454,,,,,,1.4391918,,,,,0.38228589,C8H11INO4-,311.97299,-0.027008057,,C5H5INO2-,237.9364,-0.063598633,,,,0.64968568,,,,,0.59762424,
C6H13INO3-,273.99371,,,,,,-0.0062866211,C5H6IO4-,256.93091,-0.069091797,,0.46855089,,,,0.45747331,,,,,C8H10IO5-,312.957,,-0.88233906,,,,,-0.042999268,C5H6IO4-,256.93091,-0.069091797,,0.18503468,,,,,,0.071931869,,,,,C10H14IO5-,340.98819,,-0.62688303,,,,,-0.011810303,C5H6IO4-,256.93091,-0.069091797,,0.36082226,,,,,,0.28132656,,,,,0.13768853,,,C8H12IO3-,282.98279,-0.017211914,,C5H6IO4-,256.93091,-0.069091797,,0.22881798,,,,,0.043470781,,,
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C6H13I2O2-,370.90021,-0.00071229262,,,,,-0.09979248,C5H7INO3-,255.9469,-0.053100586,,,,0.24938636,,,,-0.093308613,,,C8H12IO5-,314.9726,,-0.99428219,,,,,-0.027404785,C5H7INO3-,255.9469,-0.053100586,,,,-0.18227363,,,,,,-0.16369845,,,C10H16IO4-,327.00891,,-0.28515044,,,,,0.0089111328,C5H7INO3-,255.9469,-0.053100586,,,,-0.0020367652,,,,,,-0.05903995,,,,,,C8H12IO5-,314.9726,-0.027404785,,C5H7INO3-,255.9469,-0.053100586,,,,-0.093660854,,,,,-0.24916668,
C6H14IO2-,245.00349,,,4.0026326,,,0.0034942627,C5H7O3-,115.0393,0.039299011,,,,,,,,,,,C8H14IO4-,300.99329,,,,,,,-0.0067138672,C5H7O3-,115.0393,0.039299011,,,,,,,,,,,,,C10H16IO5-,343.00381,,-0.23841432,,,,,0.0038146973,C5H7O3-,115.0393,0.039299011,,,,,,,,,,,,,-0.37034899,,,C8H14IO4-,300.99329,-0.0067138672,,C5H7O3-,115.0393,0.039299011,,,,,,,,,,
C6H14IO3-,260.99841,,,0.91778803,,,-0.0015869141,C5H8IO3-,242.9516,-0.048400879,,0.83955395,,,,0.23867446,,,,,C8H14IO5-,316.98819,,-0.68020362,,,,,-0.011810303,C5H8IO3-,242.9516,-0.048400879,,0.21220046,,,,,,-0.023266071,,,,,C10H16IO6-,358.99869,,-0.54746729,,,,,-0.0013122559,C5H8IO3-,242.9516,-0.048400879,,0.19077604,,,,,,0.6583994,,,,,0.67131394,,,C8H16IO4-,303.00891,0.0089111328,,C5H8IO3-,242.9516,-0.048400879,,0.22757597,,,,,0.012110994,,,
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C7H6IO3-,264.936,,,,,,-0.063995361,C5H10IO2-,228.97231,-0.027694702,,,,,,1.0392935,,,,,C8H16IO6S-,366.97079,,,,,,,-0.029205322,C5H10IO2-,228.97231,-0.027694702,,-0.41233656,,,,,,,,,,,C10H18IO4-,329.02451,,-0.36714196,,,,,0.024505615,C5H10IO2-,228.97231,-0.027694702,,0.24452458,,,,,,0.82655317,,,,,1.441274,,,C8H18IO5-,321.01941,0.01940918,,C5H10IO2-,228.97231,-0.027694702,,,,,,,,,,
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C7H8INO-,248.9649,,,,,-0.07620392,-0.035095215,C5H12IO2-,230.9879,-0.01210022,,1.8397748,,,,1.2061157,,,,,C8H18IO3-,289.0296,,2.0731056,,,,,0.029602051,C5H12IO2-,230.9879,-0.01210022,,1.5554085,,,,,,1.7262805,,,,,C10H23I2N2O-,440.9895,,,,,,,-0.010498047,C5H12IO2-,230.9879,-0.01210022,,1.4032274,,,,,,1.6051697,,,,,,,,C9H14IO5-,328.98819,-0.011810303,,C5H12IO2-,230.9879,-0.01210022,,1.4625146,,,,,1.7104743,,,
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C7H8IO5-,298.94141,,,,,,-0.05859375,C6F10HO5-,342.96631,-0.033691406,,,,,,,,,,,C8H18IO5-,321.01941,,1.5452529,,,,,0.01940918,C6F10HO5-,342.96631,-0.033691406,,,,,,,,,,,,,C11H16IO4-,339.00891,,-0.19305457,,,,,0.0089111328,C6F10HO5-,342.96631,-0.033691406,,,,,,,,,,,,,-0.4714404,,,C9H16IO4-,315.00891,0.0089111328,,C6F10HO5-,342.96631,-0.033691406,,,,,,,,,,
C7H10IO2-,252.97231,,,1.5457604,,,-0.027694702,C6F10H2IO2-,422.89389,-0.10610962,,,0.81197917,,,,0.90657943,,,,C9F13H7IO2S-,552.90021,,,,,,2.661289,-0.09979248,C6F10H2IO2-,422.89389,-0.10610962,,,0.27452675,,,0.27452675,,,0.80260944,,,0.80260944,C11H16IO5-,355.00381,,-0.10867251,,,,,0.0038146973,C6F10H2IO2-,422.89389,-0.10610962,,,1.0234078,,,1.0234078,,,1.1288714,,,,,,,C10F18HO3-,510.96371,-0.0362854,,C6F10H2IO2-,422.89389,-0.10610962,,,0.36787048,,,,,1.1356939,,
C7H10IO3-,268.96719,,,0.25983259,,,-0.032806396,C6F10H2IO4-,454.8837,-0.11630249,,,-0.37325338,,,,-0.10454715,,,,C9H8I2O-,385.8663,,,,,0.89111799,,-0.13369751,C6F10H2IO4-,454.8837,-0.11630249,,,,,,,,,,,,,C11H18IO4-,341.02451,,-0.43566984,,,,,0.024505615,C6F10H2IO4-,454.8837,-0.11630249,,,,,,,,,-0.72447437,,,,,,,C10H16IO4-,327.00891,0.0089111328,,C6F10H2IO4-,454.8837,-0.11630249,,,-0.20077132,,,,,-0.2020772,,
C7H10IO4-,284.9621,,,,,,-0.037902832,C6F11HIO2-,440.88449,-0.11550903,,,0.74470466,,,,0.87462533,,,,C9H11INO-,275.98831,,,,0.65920848,,,-0.011688232,C6F11HIO2-,440.88449,-0.11550903,,,0.31791848,,,0.31791848,,,0.54410338,,,0.54410338,C11H18IO5-,357.01941,,-0.54222375,,,,,0.01940918,C6F11HIO2-,440.88449,-0.11550903,,,0.65979373,,,0.65979373,,,1.4387467,,,,-0.63550663,,,C10H18IO3-,313.0296,0.029602051,,C6F11HIO2-,440.88449,-0.11550903,,,1.2385545,,,,,1.1628621,,
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C7H12IO4-,286.97769,,,,,,-0.02230835,C6H5INO2-,249.9364,-0.063598633,,,,0.74475926,,,,0.37352553,,,C9H12IO5-,326.9726,,-0.73343891,,,,,-0.027404785,C6H5INO2-,249.9364,-0.063598633,,,,0.19899601,,,,,,0.27170601,,,C11H20IO4-,343.0401,,-0.61401141,,,,,0.040100098,C6H5INO2-,249.9364,-0.063598633,,,,0.69274431,,,,,,1.2677301,,,,,,C11F20HO3-,560.96051,-0.039489746,,C6H5INO2-,249.9364,-0.063598633,,,,0.3479543,,,,,0.31518489,
C7H12IO5-,302.9726,,,,,,-0.027404785,C6H6IN2O-,248.95239,-0.047607422,,,,0.53334576,,,,0.21268043,,,C9H12IO6-,342.9675,,-0.98697662,,,,,-0.032501221,C6H6IN2O-,248.95239,-0.047607422,,,,0.15664604,,,,,,0.087110564,,,C11H23INO2-,328.07681,,,,1.252872,,,0.076812744,C6H6IN2O-,248.95239,-0.047607422,,,,0.33889383,,,,,,0.52430201,,,,,,C12F22HO3-,610.95728,-0.042724609,,C6H6IN2O-,248.95239,-0.047607422,,,,0.098410957,,,,,0.086027607,
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C7H15INO3-,288.00931,,,,,,0.0093078613,C6H8IO4-,270.9465,-0.053497314,,0.4493247,,,,0.46851754,,,,,C9H13IN4O3-,352.00299,,,,1.9406666,,,0.0029907227,C6H8IO4-,270.9465,-0.053497314,,0.15968291,,,,,,0.040345404,,,,,C12H20IO4-,355.0401,,-0.25066245,,,,,0.040100098,C6H8IO4-,270.9465,-0.053497314,,0.33880177,,,,,,0.19438082,,,,,,,,HINO2-,173.9052,-0.094802856,1.4136004,C6H8IO4-,270.9465,-0.053497314,,0.17909357,,,,,-0.029620137,,,
C8ClF13H5O-,398.98199,,,,,,-0.018005371,C6H8IO5-,286.94141,-0.05859375,,0.30107132,,,,0.16429478,,,,,C9H14IO4-,312.99329,,,,,,,-0.0067138672,C6H8IO5-,286.94141,-0.05859375,,0.064055532,,,,,,-0.08352676,,,,,C12H20IO5-,371.035,,-0.28683105,,,,,0.035003662,C6H8IO5-,286.94141,-0.05859375,,0.29293081,,,,,,0.1115065,,,,,,,,HINO3-,189.9001,-0.099899292,,C6H8IO5-,286.94141,-0.05859375,,0.03267872,,,,,-0.16299772,,,
C8ClF14H9NOS-,467.98679,,,,,,-0.013214111,C6H8IO6-,302.93631,-0.063690186,,0.27537364,,,,-0.011124425,,,,,C9H14IO5-,328.98819,,,,,,,-0.011810303,C6H8IO6-,302.93631,-0.063690186,,0.019112458,,,,,,-0.10552559,,,,,C12H22IO3-,341.06079,,-0.52079171,,,,,0.060791016,C6H8IO6-,302.93631,-0.063690186,,0.25148982,,,,,,0.035551697,,,,,,,,HIO2-,159.9021,-0.097900391,,C6H8IO6-,302.93631,-0.063690186,,-0.058684941,,,,,-0.20159951,,,
C8F13H5IO-,490.9176,,,,2.3415651,,-0.082397461,C6H10IO3-,256.96719,-0.032806396,,0.84305942,,,,0.1654402,,,,,C9H16IO3-,299.01401,,,,,,,0.014007568,C6H10IO3-,256.96719,-0.032806396,,-0.15373419,,,,,,-0.28951493,,,,,C12H22IO4-,357.05569,,-0.50745827,,,,,0.05569458,C6H10IO3-,256.96719,-0.032806396,,0.149306,,,,,,0.40965211,,,,,,,,HI2O-,270.81171,-0.18829346,,C6H10IO3-,256.96719,-0.032806396,,0.062050033,,,,,-0.17184374,,,
C8F16NO2S-,477.93939,,,,,,-0.06060791,C6H10IO4-,272.9621,-0.037902832,,0.53698874,,,,0.27009198,,,,,C9H16IO4-,315.00891,,-0.96771079,,,,,0.0089111328,C6H10IO4-,272.9621,-0.037902832,,0.082949571,,,,,,0.022539068,,,,,C12H23INO3-,356.07169,,,,-0.0075552887,,,0.071685791,C6H10IO4-,272.9621,-0.037902832,,0.26977077,,,,,,0.13315323,,,,,,,,H2IO-,144.91499,-0.085006714,,C6H10IO4-,272.9621,-0.037902832,,0.19962549,,,,,-0.02892991,,,
C8H10IO-,248.9774,,,0.20720088,,,-0.022598267,C6H10IO5-,288.957,-0.042999268,,0.24852106,,,,0.10961111,,,,,C9H17INO2-,298.03,,,,-0.013134593,,,0.029998779,C6H10IO5-,288.957,-0.042999268,,0.17840515,,,,,,-0.14865428,,,,,C12H26IO2S-,361.06921,,,,,1.6169596,,0.069213867,C6H10IO5-,288.957,-0.042999268,,0.4749918,,,,,,0.038700085,,,,,,,,H2IO2-,160.9099,-0.090103149,,C6H10IO5-,288.957,-0.042999268,,0.14392425,,,,,-0.1698654,,,
C8H10IO4-,296.9621,,,,,,-0.037902832,C6H12IO2-,242.9879,-0.01210022,,0.70640564,,,,0.80063385,,,,,C9H17INO3-,314.0249,,,,-0.13502061,,,0.024902344,C6H12IO2-,242.9879,-0.01210022,,0.085115537,,,,,,0.10909143,,,,,C13F13H17N2SO2I,638.98438,,,,,,3.4982576,-0.015625,C6H12IO2-,242.9879,-0.01210022,,0.2925601,,,,,,0.81195158,,,,,,,,H2IO5-,208.89461,-0.10539246,1.0012929,C6H12IO2-,242.9879,-0.01210022,,-0.065080225,,,,,0.57263058,,,
C8H10IO5-,312.957,,,,,,-0.042999268,C6H20IO4Si3-,366.97079,-0.029205322,,,,,0.29119912,,,,-0.74977762,,C9H18IO3-,301.0296,,-0.91871285,,,,,0.029602051,C6H20IO4Si3-,366.97079,-0.029205322,,,,,-0.8524915,,,,,,,,C13H20IO4-,367.0401,,2.3497498,,,,,0.040100098,C6H20IO4Si3-,366.97079,-0.029205322,,,,,,,,,,,,,,,,H4IO2-,162.92551,-0.074493408,,C6H20IO4Si3-,366.97079,-0.029205322,,,,,,,,,,
C8H12IO3-,282.98279,,,,,,-0.017211914,C7F13HIO2-,490.88129,-0.11871338,,,,,,,0.40027609,,,,C10F13H10NSO2I,581.9267,,,,,,1.5123066,-0.073303223,C7F13HIO2-,490.88129,-0.11871338,,,-0.14350894,,,-0.14350894,,,-0.13575041,,,-0.13575041,C13H22IO4-,369.05569,,-0.16264026,,,,,0.05569458,C7F13HIO2-,490.88129,-0.11871338,,,0.61763597,,,0.61763597,,,0.70364195,,,,,,,H4IO3-,178.92039,-0.079605103,,C7F13HIO2-,490.88129,-0.11871338,,,0.76007611,,,,,0.4696205,,
C8H12IO4-,298.97769,,,,,,-0.02230835,C7F13HIO3-,506.87619,-0.12380981,,,,,,,-0.35445625,,,,C10F18H3INO3-,653.8869,,,,,,,-0.11309814,C7F13HIO3-,506.87619,-0.12380981,,,,,,,,,,,,,C13H24IO3-,355.07639,,-0.7397579,,,,,0.076385498,C7F13HIO3-,506.87619,-0.12380981,,,0.18905294,,,0.18905294,,,0.11493877,,,,,,,I-,126.9045,-0.095497131,,C7F13HIO3-,506.87619,-0.12380981,,,-0.19869214,,,,,-0.31040138,,
C8H12IO5-,314.9726,,,,,,-0.027404785,C7H6IO2-,248.9411,-0.058898926,,0.58146209,,,,0.25268036,,,,,C10H14IO5-,340.98819,,-0.91514421,,,,,-0.011810303,C7H6IO2-,248.9411,-0.058898926,,0.17236291,,,,,,0.08515171,,,,,C13H25INO3-,370.08731,,,,0.031733923,,,0.087310791,C7H6IO2-,248.9411,-0.058898926,,0.25633854,,,,,,0.99453306,,,,,,,,IN2-,154.91071,-0.089294434,,C7H6IO2-,248.9411,-0.058898926,,0.28399789,,,,,0.33796549,,,
C8H14IO3-,284.99841,,,,,,-0.0015869141,C7H6IO4-,280.93091,-0.069091797,,0.75350207,,,,0.43950063,,,,,C10H14IO6-,356.98309,,,,,,,-0.016906738,C7H6IO4-,280.93091,-0.069091797,,0.18888253,,,,,,0.081754968,,,,,C14H21INO3-,378.05609,,,,0.92919421,,,0.056091309,C7H6IO4-,280.93091,-0.069091797,,0.41588804,,,,,,0.52545041,,,,,,,,IO-,142.8994,-0.1006012,,C7H6IO4-,280.93091,-0.069091797,,0.36072338,,,,,0.26265138,,,
C8H14IO4-,300.99329,,,,,,-0.0067138672,C7H7INO2-,263.952,-0.04800415,,,,0.39841577,,,,0.085387394,,,C10H16IO4-,327.00891,,-0.66833103,,,,,0.0089111328,C7H7INO2-,263.952,-0.04800415,,,,-0.14730547,,,,,,-0.16507304,,,C14H22IO5-,397.0506,,1.2073648,,,,,0.050598145,C7H7INO2-,263.952,-0.04800415,,,,0.50042802,,,,,,1.379155,,,,,,IO2-,158.8943,-0.10569763,,C7H7INO2-,263.952,-0.04800415,,,,0.14517041,,,,,0.058396086,
C8H14IO5-,316.98819,,,,,,-0.011810303,C7H8IO4-,282.9465,-0.053497314,,0.33703274,,,,0.26115286,,,,,C10H16IO5-,343.00381,,,,,,,0.0038146973,C7H8IO4-,282.9465,-0.053497314,,0.088707663,,,,,,-0.071963988,,,,,C14H24IO4-,383.07129,,-0.10155361,,,,,0.071289062,C7H8IO4-,282.9465,-0.053497314,,0.39416325,,,,,,0.18728289,,,,,,,,I2-,253.80901,-0.19099426,,C7H8IO4-,282.9465,-0.053497314,,0.19298583,,,,,0.0015210848,,,
C8H16IO3-,287.01401,,,,,,0.014007568,C7H10IO4-,284.9621,-0.037902832,,0.39238346,,,,0.43472037,,,,,C10H16IO6-,358.99869,,,,,,,-0.0013122559,C7H10IO4-,284.9621,-0.037902832,,0.072695315,,,,,,-0.063249834,,,,,C14H30IN3O-,383.1427,,,,-0.77047127,,,0.1427002,C7H10IO4-,284.9621,-0.037902832,,0.27417433,,,,,,0.013565631,,,,,,,,I2NO2-,299.80191,-0.1980896,-0.75433469,C7H10IO4-,284.9621,-0.037902832,,0.098189503,,,,,-0.14516835,,,
C8H16IO4-,303.00891,,,0.73419702,,,0.0089111328,C7H10IO5-,300.957,-0.042999268,,0.31612462,,,,0.33279273,,,,,C10H18IN2O-,309.04599,,,,-0.2023765,,,0.04598999,C7H10IO5-,300.957,-0.042999268,,0.0541403,,,,,,-0.13491945,,,,,C16F26H8OSI,868.89227,,,,,,2.6989965,-0.10772705,C7H10IO5-,300.957,-0.042999268,,0.29487228,,,,,,-0.033586532,,,,,,,,I2O-,269.80389,-0.19610596,,C7H10IO5-,300.957,-0.042999268,,-0.0036791293,,,,,-0.18669154,,,
C8H16IO6-,334.99869,,,0.71186137,,,-0.0013122559,C7H10IO6-,316.9519,-0.048095703,,0.33625704,,,,0.12749188,,,,,C10H18IO3-,313.0296,,,,,,,0.029602051,C7H10IO6-,316.9519,-0.048095703,,0.027499525,,,,,,-0.13188021,,,,,C16F26H8SI,852.8974,,,,,,4.1298018,-0.1026001,C7H10IO6-,316.9519,-0.048095703,,0.25514194,,,,,,-0.0042175115,,,,,,,,I3-,380.7135,-0.28649902,,C7H10IO6-,316.9519,-0.048095703,,-0.055935413,,,,,-0.19778529,,,
C8H16IO6S-,366.97079,,,,,,-0.029205322,C7H12IO4-,286.97769,-0.02230835,,0.35960034,,,,0.22974542,,,,,C10H18IO4-,329.02451,,-0.71184027,,,,,0.024505615,C7H12IO4-,286.97769,-0.02230835,,0.13331765,,,,,,-0.05347538,,,,,C16F26H8S2I,884.86951,,,,,,4.9358287,-0.13049316,C7H12IO4-,286.97769,-0.02230835,,0.32093146,,,,,,-0.084994413,,,,,,,,NO3-,61.987801,-0.012199402,,C7H12IO4-,286.97769,-0.02230835,,0.12387303,,,,,-0.17130998,,,
C8H17INO3-,302.0249,,,,,,0.024902344,C7H12IO5-,302.9726,-0.027404785,,0.27322349,,,,0.13657275,,,,,C10H20IO3-,315.0452,,-0.10949679,,,,,0.045196533,C7H12IO5-,302.9726,-0.027404785,,-0.02058379,,,,,,-0.14792629,,,,,C17H24IO3-,403.07639,,2.4487901,,,,,0.076385498,C7H12IO5-,302.9726,-0.027404785,,0.23224808,,,,,,-0.083379067,,,,,,,,,,,,C7H12IO5-,302.9726,-0.027404785,,-0.070024051,,,,,-0.23715006,,,
C8H17I2O5-,446.91611,0.6647175,,,,,-0.083892822,C8F12H4IO-,470.91141,-0.088592529,,,0.37484893,,,,0.16022439,,,,C10H21INO2-,314.06119,,,,-0.082340002,,,0.061187744,C8F12H4IO-,470.91141,-0.088592529,,,,,,,,,,,,,C17H24IO4-,419.07129,,2.2842758,,,,,0.071289062,C8F12H4IO-,470.91141,-0.088592529,,,0.39549977,,,0.39549977,,,0.30042383,,,,,,,,,,,C8F12H4IO-,470.91141,-0.088592529,,,0.26547059,,,,,0.4140147,,
C8H18IO3-,289.0296,,,2.6990352,,,0.029602051,C8F13H3IO2-,504.89691,-0.10308838,,,,,,,-0.51776278,,,,C10H23I2N2O-,440.9895,,,,,,,-0.010498047,C8F13H3IO2-,504.89691,-0.10308838,,,,,,,,,,,,,C17H24IO5-,435.06619,,1.798719,,,,,0.066192627,C8F13H3IO2-,504.89691,-0.10308838,,,0.48123184,,,0.48123184,,,1.3278557,,,,,,,,,,,C8F13H3IO2-,504.89691,-0.10308838,,,0.042892102,,,,,-0.1619855,,
C8H18IO4-,305.02451,,,1.188566,,,0.024505615,C8F13H5INO2S-,552.8877,-0.11230469,,,0.42433563,,,,0.17070219,,,,C11F17H7IO2S-,652.8938,,,,,,3.0496805,-0.10620117,C8F13H5INO2S-,552.8877,-0.11230469,,,,,,0.27896035,,,,,,-0.16132611,C17H26IO5-,437.08179,,1.1579763,,,,,0.081787109,C8F13H5INO2S-,552.8877,-0.11230469,,,,,,1.1013,,,,,,,,,,,,,,C8F13H5INO2S-,552.8877,-0.11230469,,,,,0.22425835,,,,,
C8H18IO5-,321.01941,,,1.7967378,,,0.01940918,C8F13H5INO4-,552.9054,-0.094604492,,,,,,,,,,,C11H14IO4-,336.99329,,0.4263694,,,,,-0.0067138672,C8F13H5INO4-,552.9054,-0.094604492,,,,,,,,,,,,-0.54057246,HINO3-,189.9001,,,,,,,-0.099899292,C8F13H5INO4-,552.9054,-0.094604492,1.487105,1.487105,1.487105,1.487105,1.487105,1.487105,2.4711893,2.4711893,2.4711893,2.4711893,2.4711893,,,,,,,,,C8F13H5INO4-,552.9054,-0.094604492,-0.34948021,-0.34948021,-0.34948021,-0.34948021,-0.34948021,,,,,
C9H8IN2O3-,318.95779,,,,,0.10332388,-0.042205811,C8F13H5IO-,490.9176,-0.082397461,,,0.0024149574,,,,-0.44241342,,,,C11H16IO4-,339.00891,,-0.48802817,,,,,0.0089111328,C8F13H5IO-,490.9176,-0.082397461,,,-0.0081136916,,,-0.0081136916,,,-0.058042422,,,-0.058042422,HIO2-,159.9021,,,,,-0.47474006,,-0.097900391,C8F13H5IO-,490.9176,-0.082397461,,,1.1566609,,,1.1566609,,,2.0082321,,,,,,,,,,,C8F13H5IO-,490.9176,-0.082397461,,,-0.18028285,,,,,,,
C9H8I2O-,385.8663,0.36339325,,,,,-0.13369751,C8F14HI2O-,632.78931,-0.21069336,,,,,-0.46860906,,,,,,C11H16IO5-,355.00381,,-0.52808154,,,,,0.0038146973,C8F14HI2O-,632.78931,-0.21069336,,,,,,,,,,,,,HI2O-,270.81171,,,,,,,-0.18829346,C8F14HI2O-,632.78931,-0.21069336,,,,,-0.34467545,,,,,,0.50901592,,,,,,,,,C8F14HI2O-,632.78931,-0.21069336,,,,,-0.51250976,,,,,
C9H11INO-,275.98831,,,,,1.5627211,-0.011688232,C8F14HO4-,426.965,-0.035003662,,,,,,,,,,,C11H18IO4-,341.02451,,-0.64220858,,,,,0.024505615,C8F14HO4-,426.965,-0.035003662,,,,,,,,,,,,,H2IO-,144.91499,,,,,,,-0.085006714,C8F14HO4-,426.965,-0.035003662,,,,,,,,,,,,,,,,,,,,C8F14HO4-,426.965,-0.035003662,,,,,,,,,,
C9H12IO4-,310.97769,,,,,,-0.02230835,C8F14HO5-,442.9599,-0.040100098,,,,,,,,,,,C11H18IO5-,357.01941,,-0.72104084,,,,,0.01940918,C8F14HO5-,442.9599,-0.040100098,,,,,,,,,,,,,H2IO2-,160.9099,,,,,,,-0.090103149,C8F14HO5-,442.9599,-0.040100098,,,,,,,,,,,,,,,,,,,,C8F14HO5-,442.9599,-0.040100098,,,,,,,,,,
C9H12IO5-,326.9726,,,,,,-0.027404785,C8F14HO6-,458.9548,-0.045196533,,,,,,,,,,,C11H20IO3-,327.0452,,-0.88211602,,,,,0.045196533,C8F14HO6-,458.9548,-0.045196533,,,,,,,,,,,,,H2I2O-,271.81949,,,,,-0.83105451,,-0.18051147,C8F14HO6-,458.9548,-0.045196533,,,,,,,,,,,,,,,,,,,,C8F14HO6-,458.9548,-0.045196533,,,,,,,,,,
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C9H13IN4O-,320.01321,,,,,1.5802789,0.013214111,C8F14H5IO4-,557.9007,-0.099304199,,,-0.05823034,,,,-0.33277142,,,,C11H23INO2-,328.07681,,,,-0.29126278,,,0.076812744,C8F14H5IO4-,557.9007,-0.099304199,,,-0.21757971,,,-0.21757971,,,-0.18241039,,,-0.18241039,I-,126.9045,,,,,,,-0.095497131,C8F14H5IO4-,557.9007,-0.099304199,,,1.5128627,,,1.5128627,,,2.1603277,,,,,,,,,,,C8F14H5IO4-,557.9007,-0.099304199,,,-0.22570321,,,,,,,
C9H13IN4O3-,352.00299,,,,,2.0745087,0.0029907227,C8F14H8IO4-,560.92407,-0.075927734,,,,,,,-0.77441043,,,,C12H16IO5-,367.00381,,-0.3160494,,,,,0.0038146973,C8F14H8IO4-,560.92407,-0.075927734,,,,,,,,,,,,,IN2-,154.91071,,,,,,,-0.089294434,C8F14H8IO4-,560.92407,-0.075927734,,,0.98338544,,,0.98338544,,,,,,,,,,,,,,C8F14H8IO4-,560.92407,-0.075927734,,,,,,,,,,
C9H14IO4-,312.99329,,,,,,-0.0067138672,C8F15HIO2-,540.87811,-0.12188721,,,,,,,0.20441496,,,,C12H20IO4-,355.0401,,-0.4701716,,,,,0.040100098,C8F15HIO2-,540.87811,-0.12188721,,,0.11925518,,,0.11925518,,,0.22475035,,,0.22475035,IO-,142.8994,,,,,,,-0.1006012,C8F15HIO2-,540.87811,-0.12188721,,,0.37410569,,,0.37410569,,,0.47483462,,,,,,,,,,,C8F15HIO2-,540.87811,-0.12188721,,,-0.14580698,,,,,,,
C9H14IO5-,328.98819,,,,,,-0.011810303,C8F15H2INO2-,555.88898,-0.11102295,,,-0.74345016,,,,-0.28008386,,,,C12H20IO5-,371.035,,-0.69375223,,,,,0.035003662,C8F15H2INO2-,555.88898,-0.11102295,,,,,,-0.58186954,,,,,,0.30733392,I2-,253.80901,,,,,,,-0.19099426,C8F15H2INO2-,555.88898,-0.11102295,,,,,,0.75067258,1.5104483,1.5104483,1.5104483,1.5104483,1.5104483,,,,,,,,,C8F15H2INO2-,555.88898,-0.11102295,0.63699239,0.63699239,0.63699239,0.63699239,0.63699239,,,,,
C9H16IO3-,299.01401,,,,,,0.014007568,C8F15H6INO2-,559.92023,-0.079772949,,,-0.4554708,,,,-0.83133107,,,,C12H22IO3-,341.06079,,-0.95199943,,,,,0.060791016,C8F15H6INO2-,559.92023,-0.079772949,,,,,,,,,,,,,I2NO2-,299.80191,,,,,-0.50568855,,-0.1980896,C8F15H6INO2-,559.92023,-0.079772949,,,,,,,,,,,,,,,,,,,,C8F15H6INO2-,559.92023,-0.079772949,-0.032980621,-0.032980621,-0.032980621,-0.032980621,-0.032980621,,,,,
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C9H17INO2-,298.03,,,,,0.65020883,0.029998779,C8F15H6IO3-,561.91199,-0.088012695,,,,,,,,,,,C12H23INO3-,356.07169,,,,-0.11095096,,,0.071685791,C8F15H6IO3-,561.91199,-0.088012695,,,-0.64303344,,,-0.64303344,,,-0.82645619,,,-0.82645619,I3-,380.7135,,,,,-0.42756376,,-0.28649902,C8F15H6IO3-,561.91199,-0.088012695,,,1.3519287,,,1.3519287,,,,,,,,,,,,,,C8F15H6IO3-,561.91199,-0.088012695,,,-0.3893609,,,,,,,
C9H17INO3-,314.0249,,,,,-0.70940226,0.024902344,C8F15H8INO4-,593.9256,-0.074401855,,,,,,,-0.72395557,,,,C12H26IO2S-,361.06921,,,,,1.4932224,,0.069213867,C8F15H8INO4-,593.9256,-0.074401855,,,,,,-0.65517068,,,,,,0.78550386,NO3-,61.987801,,,,,,,-0.012199402,C8F15H8INO4-,593.9256,-0.074401855,,,,,,,,,,,,,,,,,,,,C8F15H8INO4-,593.9256,-0.074401855,0.9215492,0.9215492,0.9215492,0.9215492,0.9215492,,,,,
C9H18IO3-,301.0296,,,-0.84159136,,,0.029602051,C8F15H8INO5-,609.92047,-0.079528809,,,-0.28482711,,,,-0.22716638,,,,C13F13H17N2SO2I,638.98438,,,,,,2.0463059,-0.015625,C8F15H8INO5-,609.92047,-0.079528809,,,,,,-0.40923977,,,,,,-0.3880538,,,,,,,,,,C8F15H8INO5-,609.92047,-0.079528809,,,,,,,,,,,,,,,,,,,,C8F15H8INO5-,609.92047,-0.079528809,-0.14098671,-0.14098671,-0.14098671,-0.14098671,-0.14098671,,,,,
C9H20IO2-,287.05029,,,1.0974709,,,0.050292969,C8F17HO3S-,499.93741,-0.062591553,,,,,,,,,,,C13F21H7IO2S-,752.88739,,,,,,2.5291743,-0.11260986,C8F17HO3S-,499.93741,-0.062591553,,,,,,-0.83001679,,,,,,-0.78074479,,,,,,,,,,C8F17HO3S-,499.93741,-0.062591553,,,,,,-0.13464823,,,,,,,,,,,,,,C8F17HO3S-,499.93741,-0.062591553,,,,,,,,,,-0.78256917
C9H20IO3-,303.0452,,,1.0187942,,,0.045196533,C8H10IO5-,312.957,-0.042999268,,0.34590924,,,,0.35746092,,,,,C13H20IO4-,367.0401,,0.12235669,,,,,0.040100098,C8H10IO5-,312.957,-0.042999268,,0.14402592,,,,,,-0.068836994,,,,,,,,,,,,,,C8H10IO5-,312.957,-0.042999268,,0.44713455,,,,,,0.0043900516,,,,,,,,,,,,C8H10IO5-,312.957,-0.042999268,,0.13360663,,,,,-0.11436106,,,
C9H20IO4-,319.0401,,,0.59653652,,,0.040100098,C8H10IO6-,328.9519,-0.048095703,,0.36492118,,,,0.13258065,,,,,C13H22IO4-,369.05569,,-0.51551628,,,,,0.05569458,C8H10IO6-,328.9519,-0.048095703,,0.090508372,,,,,,-0.07021869,,,,,,,,,,,,,,C8H10IO6-,328.9519,-0.048095703,,0.32530093,,,,,,-0.014454629,,,,,,,,,,,,C8H10IO6-,328.9519,-0.048095703,,0.0029429737,,,,,-0.17231686,,,
C10F17H5IO-,590.91119,,,,2.2937958,,-0.088806152,C8H12IO4-,298.97769,-0.02230835,,0.30880159,,,,0.45712149,,,,,C13H24IO3-,355.07639,,-0.83609265,,,,,0.076385498,C8H12IO4-,298.97769,-0.02230835,,0.12327746,,,,,,-0.068987161,,,,,,,,,,,,,,C8H12IO4-,298.97769,-0.02230835,,0.34524482,,,,,,-0.049017418,,,,,,,,,,,,C8H12IO4-,298.97769,-0.02230835,,0.12172212,,,,,-0.1689039,,,
C10H10IN-,270.9856,,-0.24430998,,,,-0.014404297,C8H12IO5-,314.9726,-0.027404785,,0.27878872,,,,0.19780776,,,,,C13H25INO3-,370.08731,,,,-0.19965525,,,0.087310791,C8H12IO5-,314.9726,-0.027404785,,0.04314924,,,,,,-0.13845164,,,,,,,,,,,,,,C8H12IO5-,314.9726,-0.027404785,,0.25980395,,,,,,-0.11047725,,,,,,,,,,,,C8H12IO5-,314.9726,-0.027404785,,-0.048502188,,,,,-0.2460648,,,
C10H14IO5-,340.98819,,,,,,-0.011810303,C8H14IO4-,300.99329,-0.0067138672,,0.17839898,,,,0.030596325,,,,,C14H21INO3-,378.05609,,,,0.63164383,,,0.056091309,C8H14IO4-,300.99329,-0.0067138672,,0.012126803,,,,,,-0.15205473,,,,,,,,,,,,,,C8H14IO4-,300.99329,-0.0067138672,,0.26875094,,,,,,-0.16622593,,,,,,,,,,,,C8H14IO4-,300.99329,-0.0067138672,,0.055556092,,,,,-0.23153841,,,
C10H14IO6-,356.98309,,,-0.54758233,,,-0.016906738,C8H14IO5-,316.98819,-0.011810303,,0.24709524,,,,0.19472483,,,,,C14H22IO5-,397.0506,,0.53372526,,,,,0.050598145,C8H14IO5-,316.98819,-0.011810303,,0.017960941,,,,,,-0.11164647,,,,,,,,,,,,,,C8H14IO5-,316.98819,-0.011810303,,0.21859142,,,,,,0.030771632,,,,,,,,,,,,C8H14IO5-,316.98819,-0.011810303,,-0.051971056,,,,,-0.23198113,,,
C10H16IO4-,327.00891,,,,,,0.0089111328,C8H26IO5Si4-,440.98941,-0.0105896,,,,,-0.1278652,,,,,,C14H24IO4-,383.07129,,-0.47715336,,,,,0.071289062,C8H26IO5Si4-,440.98941,-0.0105896,,,,,,,,,,,,,,,,,,,,,,C8H26IO5Si4-,440.98941,-0.0105896,,,,,,,,,,,,,,,,,,,,C8H26IO5Si4-,440.98941,-0.0105896,,,,,,,,,,
C10H16IO5-,343.00381,,,,,,0.0038146973,C9F16HO4-,476.96179,-0.038208008,,,,,,,,,,,C14H30IN3O-,383.1427,,,,,,,0.1427002,C9F16HO4-,476.96179,-0.038208008,,,,,,,,,,,,,,,,,,,,,,C9F16HO4-,476.96179,-0.038208008,,,,,,,,,,,,,,,,,,,,C9F16HO4-,476.96179,-0.038208008,,,,,,,,,,
C10H16IO6-,358.99869,,,-0.71484751,,,-0.0013122559,C9F16HO5-,492.9567,-0.043304443,,,,,,,,,,,C15F17H17N2SO2I,738.97803,,,,,,2.7607572,-0.021972656,C9F16HO5-,492.9567,-0.043304443,,,,,,,,,,,,,,,,,,,,,,C9F16HO5-,492.9567,-0.043304443,,,,,,,,,,,,,,,,,,,,C9F16HO5-,492.9567,-0.043304443,,,,,,,,,,
C10H18IN2O-,309.04599,,,,,2.2388284,0.04598999,C9F17HIO2-,590.87488,-0.12512207,,,,,,,0.092873894,,,,C16F26H8OSI,868.89227,,,,,,-0.37850145,-0.10772705,C9F17HIO2-,590.87488,-0.12512207,,,0.19543298,,,0.19543298,,,0.25020978,,,0.25020978,,,,,,,,,,C9F17HIO2-,590.87488,-0.12512207,,,0.29615167,,,0.29615167,,,0.37370321,,,,,,,,,,,C9F17HIO2-,590.87488,-0.12512207,,,0.39668652,,,,,0.15766807,,
C10H18IO3-,313.0296,,,,,,0.029602051,C9F17HIO3-,606.86981,-0.13018799,,,,,,,0.15054585,,,,C16F26H8SI,852.8974,,,,,,0.14017563,-0.1026001,C9F17HIO3-,606.86981,-0.13018799,,,0.18357307,,,0.18357307,,,0.25791842,,,0.25791842,,,,,,,,,,C9F17HIO3-,606.86981,-0.13018799,,,0.33685404,,,0.33685404,,,0.42757407,,,,,,,,,,,C9F17HIO3-,606.86981,-0.13018799,,,0.36811736,,,,,0.097404093,,
C10H18IO4-,329.02451,,,,,,0.024505615,C9H10IO5-,324.957,-0.042999268,,0.2427482,,,,0.31034449,,,,,C16F26H8S2I,884.86951,,,,,,0.93729377,-0.13049316,C9H10IO5-,324.957,-0.042999268,,0.16952433,,,,,,-0.066485904,,,,,,,,,,,,,,C9H10IO5-,324.957,-0.042999268,,0.41403672,,,,,,-0.018693479,,,,,,,,,,,,C9H10IO5-,324.957,-0.042999268,,0.14546813,,,,,-0.12009985,,,
C10H20IO3-,315.0452,,,-0.56156117,,,0.045196533,C9H14IO4-,312.99329,-0.0067138672,,0.095403865,,,,0.22670318,,,,,C17F21H17N2SO2I,838.97162,,,,,,1.6540475,-0.028381348,C9H14IO4-,312.99329,-0.0067138672,,0.09629295,,,,,,-0.16138518,,,,,,,,,,,,,,C9H14IO4-,312.99329,-0.0067138672,,0.35851023,,,,,,-0.13150448,,,,,,,,,,,,C9H14IO4-,312.99329,-0.0067138672,,0.059867293,,,,,-0.26632163,,,
C10H21INO2-,314.06119,,,,,,0.061187744,C9H14IO5-,328.98819,-0.011810303,,0.39099067,,,,0.27100384,,,,,C17H24IO3-,403.07639,,1.7633153,,,,,0.076385498,C9H14IO5-,328.98819,-0.011810303,,0.023372013,,,,,,-0.12055849,,,,,,,,,,,,,,C9H14IO5-,328.98819,-0.011810303,,0.21020606,,,,,,-0.1529685,,,,,,,,,,,,C9H14IO5-,328.98819,-0.011810303,,-0.090992816,,,,,-0.26837182,,,
C10H23I2N2O-,440.9895,,,,,,-0.010498047,C9H16IO4-,315.00891,0.0089111328,,0.057544395,,,,-0.084349073,,,,,C17H24IO4-,419.07129,,1.4656469,,,,,0.071289062,C9H16IO4-,315.00891,0.0089111328,,-0.10174537,,,,,,-0.24926934,,,,,,,,,,,,,,C9H16IO4-,315.00891,0.0089111328,,0.14416265,,,,,,-0.2627773,,,,,,,,,,,,C9H16IO4-,315.00891,0.0089111328,,-0.035758357,,,,,-0.26722264,,,
C10H32IO2-,311.14389,,,1.7977824,,,0.14389038,C10F10H2IO2-,470.89389,-0.10610962,,,,,,,0.046476152,,,,C17H24IO5-,435.06619,,1.0672429,,,,,0.066192627,C10F10H2IO2-,470.89389,-0.10610962,,,,,,,,,,,,,,,,,,,,,,C10F10H2IO2-,470.89389,-0.10610962,,,0.44396847,,,0.44396847,,,0.91235453,,,,,,,,,,,C10F10H2IO2-,470.89389,-0.10610962,,,0.23872925,,,,,0.24045914,,
C10H32IO3-,327.13879,,,1.3727354,,,0.13879395,C10F18HO4-,526.95862,-0.041381836,,,,,,,,,,,C17H26IO5-,437.08179,,0.75447851,,,,,0.081787109,C10F18HO4-,526.95862,-0.041381836,,,,,,,,,,,,,,,,,,,,,,C10F18HO4-,526.95862,-0.041381836,,,,,,,,,,,,,,,,,,,,C10F18HO4-,526.95862,-0.041381836,,,,,,,,,,
C11H16IO4-,339.00891,,,,,,0.0089111328,C10F18HO5-,542.95349,-0.046508789,,,,,,,,,,,C18F30H8S2I-,984.8631,,,,,,2.3808768,-0.13690186,C10F18HO5-,542.95349,-0.046508789,,,,,,,,,,,,,,,,,,,,,,C10F18HO5-,542.95349,-0.046508789,,,,,,,,,,,,,,,,,,,,C10F18HO5-,542.95349,-0.046508789,,,,,,,,,,
C11H16IO5-,355.00381,,,-0.58734065,,,0.0038146973,C10F18HO6-,558.94843,-0.051574707,,,,,,,,,,,C20F34H8S2I-,1084.8567,,,,,,1.8852141,-0.14331055,C10F18HO6-,558.94843,-0.051574707,,,,,,,,,,,,,,,,,,,,,,C10F18HO6-,558.94843,-0.051574707,,,,,,,,,,,,,,,,,,,,C10F18HO6-,558.94843,-0.051574707,,,,,,,,,,
C11H18IO4-,341.02451,,,-0.50243008,,,0.024505615,C10F19HIO2-,640.8717,-0.1282959,,,,,,,0.21337378,,,,C22F38H8S2I-,1184.8503,,,,,,1.1278094,-0.1496582,C10F19HIO2-,640.8717,-0.1282959,,,0.19974017,,,0.19974017,,,0.27494135,,,0.27494135,,,,,,,,,,C10F19HIO2-,640.8717,-0.1282959,,,0.35182333,,,0.35182333,,,0.42170298,,,,,,,,,,,C10F19HIO2-,640.8717,-0.1282959,,,0.39025137,,,,,0.20402709,,
C11H18IO5-,357.01941,,,-0.77493829,,,0.01940918,C10F19HIO3-,656.86658,-0.13342285,,,,,,,0.35185355,,,,HINO3-,189.9001,,,,,,,-0.099899292,C10F19HIO3-,656.86658,-0.13342285,,,0.26412451,,,0.26412451,,,0.33818212,,,0.33818212,,,,,,,,,,C10F19HIO3-,656.86658,-0.13342285,,,0.44328725,,,0.44328725,,,0.46986723,,,,,,,,,,,C10F19HIO3-,656.86658,-0.13342285,,,0.486954,,,,,0.25622836,,
C11H20IO3-,327.0452,,,,,,0.045196533,C10H12IO6-,354.9675,-0.032501221,,0.079179712,,,,0.11775947,,,,,HIO2-,159.9021,,,,,,,-0.097900391,C10H12IO6-,354.9675,-0.032501221,,0.043957841,,,,,,-0.16081291,,,,,,,,,,,,,,C10H12IO6-,354.9675,-0.032501221,,0.27816549,,,,,,-0.14919001,,,,,,,,,,,,C10H12IO6-,354.9675,-0.032501221,,-0.0393227,,,,,-0.26076302,,,
C11H20IO4-,343.0401,,,-0.52685648,,,0.040100098,C10H14IO4-,324.99329,-0.0067138672,,0.13863647,,,,0.29215148,,,,,HI2O-,270.81171,,,,,,,-0.18829346,C10H14IO4-,324.99329,-0.0067138672,,0.12222332,,,,,,-0.14161585,,,,,,,,,,,,,,C10H14IO4-,324.99329,-0.0067138672,,0.39373446,,,,,,-0.10513128,,,,,,,,,,,,C10H14IO4-,324.99329,-0.0067138672,,0.11308754,,,,,-0.21388716,,,
C11H23INO2-,328.07681,,,,,,0.076812744,C10H14IO6-,356.98309,-0.016906738,,0.15300514,,,,0.080399297,,,,,H2IO-,144.91499,,,,,,,-0.085006714,C10H14IO6-,356.98309,-0.016906738,,0.029309522,,,,,,-0.18773349,,,,,,,,,,,,,,C10H14IO6-,356.98309,-0.016906738,,0.2470623,,,,,,-0.17631328,,,,,,,,,,,,C10H14IO6-,356.98309,-0.016906738,,-0.092834644,,,,,-0.28349188,,,
C12F21H5IO-,690.90479,,,,1.6827012,,-0.095214844,C10H16IO4-,327.00891,0.0089111328,,0.015505857,,,,0.20292692,,,,,H2IO2-,160.9099,,,,,,,-0.090103149,C10H16IO4-,327.00891,0.0089111328,,0.055851646,,,,,,-0.18816581,,,,,,,,,,,,,,C10H16IO4-,327.00891,0.0089111328,,0.30467904,,,,,,-0.22637893,,,,,,,,,,,,C10H16IO4-,327.00891,0.0089111328,,0.008850323,,,,,-0.28901932,,,
C12H16IO5-,367.00381,,,,,,0.0038146973,C10H16IO5-,343.00381,0.0038146973,,0.074348748,,,,0.31166357,,,,,H2I2O-,271.81949,,,,,,,-0.18051147,C10H16IO5-,343.00381,0.0038146973,,0.052388318,,,,,,-0.14582618,,,,,,,,,,,,,,C10H16IO5-,343.00381,0.0038146973,,0.22250849,,,,,,-0.18159176,,,,,,,,,,,,C10H16IO5-,343.00381,0.0038146973,,-0.076811247,,,,,-0.30068761,,,
C12H20IO4-,355.0401,,,-0.10148258,,,0.040100098,C10H18IO4-,329.02451,0.024505615,,-0.015472296,,,,0.016975375,,,,,H4IO2-,162.92551,,,,,,,-0.074493408,C10H18IO4-,329.02451,0.024505615,,-0.057079706,,,,,,-0.25150159,,,,,,,,,,,,,,C10H18IO4-,329.02451,0.024505615,,0.13361233,,,,,,-0.26893625,,,,,,,,,,,,C10H18IO4-,329.02451,0.024505615,,-0.11805959,,,,,-0.32913792,,,
C12H20IO5-,371.035,,,-0.50669581,,,0.035003662,C10H32IO6Si5-,515.008,0.0079956055,,,,,,,,,,,H4IO3-,178.92039,,,,,,,-0.079605103,C10H32IO6Si5-,515.008,0.0079956055,,,,,,,,,,,,,,,,,,,,,,C10H32IO6Si5-,515.008,0.0079956055,,,,,,,,,,,,,,,,,,,,C10H32IO6Si5-,515.008,0.0079956055,,,,,,,,,,
C12H22IO3-,341.06079,,,,,,0.060791016,C11F20HO4-,576.95538,-0.044616699,,,,,,,,,,,I-,126.9045,,,,,,,-0.095497131,C11F20HO4-,576.95538,-0.044616699,,,,,,,,,,,,,,,,,,,,,,C11F20HO4-,576.95538,-0.044616699,,,,,,,,,,,,,,,,,,,,C11F20HO4-,576.95538,-0.044616699,,,,,,,,,,
C12H22IO4-,357.05569,,,,,,0.05569458,C11F20HO5-,592.95032,-0.049682617,,,,,,,,,,,IN2-,154.91071,,,,,,,-0.089294434,C11F20HO5-,592.95032,-0.049682617,,,,,,,,,,,,,,,,,,,,,,C11F20HO5-,592.95032,-0.049682617,,,,,,,,,,,,,,,,,,,,C11F20HO5-,592.95032,-0.049682617,,,,,,,,,,
C12H23INO3-,356.07169,,,,,-0.35144848,0.071685791,C11F21HIO2-,690.86853,-0.13146973,,,,,,,0.37221834,,,,IO-,142.8994,,,,,,,-0.1006012,C11F21HIO2-,690.86853,-0.13146973,,,0.21685579,,,0.21685579,,,0.30120292,,,0.30120292,,,,,,,,,,C11F21HIO2-,690.86853,-0.13146973,,,0.42030051,,,0.42030051,,,0.47145405,,,,,,,,,,,C11F21HIO2-,690.86853,-0.13146973,,,0.34514192,,,,,0.18442653,,
C13H10IN2O3-,368.97339,,,,,,-0.026611328,C11F21HIO3-,706.8634,-0.13659668,,,,,,,0.4325389,,,,I2-,253.80901,,,,,,,-0.19099426,C11F21HIO3-,706.8634,-0.13659668,,,0.28565496,,,0.28565496,,,0.40742156,,,0.40742156,,,,,,,,,,C11F21HIO3-,706.8634,-0.13659668,,,0.38243806,,,0.38243806,,,0.44928318,,,,,,,,,,,C11F21HIO3-,706.8634,-0.13659668,,,0.33022714,,,,,0.19631395,,
C13H20IO4-,367.0401,,,0.64520633,,,0.040100098,C11H16IO5-,355.00381,0.0038146973,,0.19742689,,,,0.12332517,,,,,I2NO2-,299.80191,,,,,,,-0.1980896,C11H16IO5-,355.00381,0.0038146973,,-0.018656457,,,,,,-0.21228629,,,,,,,,,,,,,,C11H16IO5-,355.00381,0.0038146973,,0.15365176,,,,,,-0.23153302,,,,,,,,,,,,C11H16IO5-,355.00381,0.0038146973,,-0.13134044,,,,,-0.33434504,,,
C13H22IO4-,369.05569,,,-0.16520388,,,0.05569458,C11H18IO5-,357.01941,0.01940918,,-0.066708356,,,,-0.0048843478,,,,,I2O-,269.80389,,,,,,,-0.19610596,C11H18IO5-,357.01941,0.01940918,,0.0346618,,,,,,-0.15038334,,,,,,,,,,,,,,C11H18IO5-,357.01941,0.01940918,,0.16165484,,,,,,-0.25107527,,,,,,,,,,,,C11H18IO5-,357.01941,0.01940918,,-0.12483714,,,,,-0.34507877,,,
C13H24IO3-,355.07639,,,,,,0.076385498,C11H20IO4-,343.0401,0.040100098,,-0.10995036,,,,-0.14156199,,,,,I3-,380.7135,,,,,,,-0.28649902,C11H20IO4-,343.0401,0.040100098,,-0.029894305,,,,,,-0.23021974,,,,,,,,,,,,,,C11H20IO4-,343.0401,0.040100098,,0.1676646,,,,,,-0.29503405,,,,,,,,,,,,C11H20IO4-,343.0401,0.040100098,,-0.085816234,,,,,-0.34161505,,,
C13H25INO3-,370.08731,,,,,-0.13341966,0.087310791,C12F22HO4-,626.95221,-0.047790527,,,,,,,,,,,NO3-,61.987801,,,,,,,-0.012199402,C12F22HO4-,626.95221,-0.047790527,,,,,,,,,,,,,,,,,,,,,,C12F22HO4-,626.95221,-0.047790527,,,,,,,,,,,,,,,,,,,,C12F22HO4-,626.95221,-0.047790527,,,,,,,,,,
C13H27INO-,340.1131,,,,,0.83893603,0.11309814,C12F22HO5-,642.94708,-0.05291748,,,,,,,,,,,,,,,,,,,,C12F22HO5-,642.94708,-0.05291748,,,,,,,,,,,,,,,,,,,,,,C12F22HO5-,642.94708,-0.05291748,,,,,,,,,,,,,,,,,,,,C12F22HO5-,642.94708,-0.05291748,,,,,,,,,,
C14F22H8S2I-,784.87592,,,,2.774868,,-0.12408447,C12F23HIO2-,740.8653,-0.13470459,,,,,,,0.31072658,,,,,,,,,,,,,C12F23HIO2-,740.8653,-0.13470459,,,0.25948173,,,0.25948173,,,0.36963958,,,0.36963958,,,,,,,,,,C12F23HIO2-,740.8653,-0.13470459,,,0.36167309,,,0.36167309,,,0.47219831,,,,,,,,,,,C12F23HIO2-,740.8653,-0.13470459,,,0.24496448,,,,,0.18857376,,
C14F25H5IO-,790.89838,,,,1.5420182,,-0.10162354,C12F23HIO3-,756.86023,-0.13977051,,,,,,,0.41693741,,,,,,,,,,,,,C12F23HIO3-,756.86023,-0.13977051,,,0.28105769,,,0.28105769,,,0.39805034,,,0.39805034,,,,,,,,,,C12F23HIO3-,756.86023,-0.13977051,,,0.38028219,,,0.38028219,,,0.46202981,,,,,,,,,,,C12F23HIO3-,756.86023,-0.13977051,,,0.33643684,,,,,0.20460252,,
C14H21INO3-,378.05609,,,,,0.23915035,0.056091309,C12H12IO4-,346.97769,-0.02230835,,0.10052878,,,,0.84661913,,,,,,,,,,,,,,C12H12IO4-,346.97769,-0.02230835,,-0.076911353,,,,,,-0.17326204,,,,,,,,,,,,,,C12H12IO4-,346.97769,-0.02230835,,0.18203333,,,,,,0.2304395,,,,,,,,,,,,C12H12IO4-,346.97769,-0.02230835,,-0.092210017,,,,,0.50783807,,,
C14H22IO5-,397.0506,,,0.28330836,,,0.050598145,C12H20IO4-,355.0401,0.040100098,,-0.22265022,,,,-0.051565867,,,,,,,,,,,,,,C12H20IO4-,355.0401,0.040100098,,-0.039036624,,,,,,-0.25515202,,,,,,,,,,,,,,C12H20IO4-,355.0401,0.040100098,,0.15081014,,,,,,-0.31571168,,,,,,,,,,,,C12H20IO4-,355.0401,0.040100098,,-0.14859502,,,,,-0.3619428,,,
C14H24IN2-,347.0979,,2.4970369,,,,0.097900391,C13F24HO4-,676.94897,-0.051025391,,,,,,,,,,,,,,,,,,,,C13F24HO4-,676.94897,-0.051025391,,,,,,,,,,,,,,,,,,,,,,C13F24HO4-,676.94897,-0.051025391,,,,,,,,,,,,,,,,,,,,C13F24HO4-,676.94897,-0.051025391,,,,,,,,,,
C14H24IO4-,383.07129,,,-0.021301812,,,0.071289062,C13F24HO5-,692.94391,-0.056091309,,,,,,,,,,,,,,,,,,,,C13F24HO5-,692.94391,-0.056091309,,,,,,,,,,,,,,,,,,,,,,C13F24HO5-,692.94391,-0.056091309,,,,,,,,,,,,,,,,,,,,C13F24HO5-,692.94391,-0.056091309,,,,,,,,,,
C14H30IN3O-,383.1427,,,,,,0.1427002,C13F25HIO2-,790.86212,-0.13787842,,,,,,,0.050287321,,,,,,,,,,,,,C13F25HIO2-,790.86212,-0.13787842,,,0.26392168,,,0.26392168,,,0.25478509,,,0.25478509,,,,,,,,,,C13F25HIO2-,790.86212,-0.13787842,,,0.29559985,,,0.29559985,,,0.35410473,,,,,,,,,,,C13F25HIO2-,790.86212,-0.13787842,,,0.15365991,,,,,0.073509358,,
C15F17H17N2SO2I,738.97803,,,,-0.1728023,,-0.021972656,C13H25INO3-,370.08731,0.087310791,,,,-0.47006476,,,,-0.58816803,,,,,,,,,,,,C13H25INO3-,370.08731,0.087310791,,,,-0.51890081,,,,,,-0.62777615,,,,,,,,,,,,C13H25INO3-,370.08731,0.087310791,,,,-0.28194717,,,,,,-0.52356136,,,,,,,,,,C13H25INO3-,370.08731,0.087310791,,,,-0.43014875,,,,,-0.50571263,
C16F26H8OSI,868.89227,,,,2.320699,,-0.10772705,C14F26HO4-,726.9458,-0.054199219,,,,,,,,,,,,,,,,,,,,C14F26HO4-,726.9458,-0.054199219,,,,,,,,,,,,,,,,,,,,,,C14F26HO4-,726.9458,-0.054199219,,,,,,,,,,,,,,,,,,,,C14F26HO4-,726.9458,-0.054199219,,,,,,,,,,
C16F26H8SI,852.8974,,,,3.7348571,,-0.1026001,C14F26HO5-,742.94067,-0.059326172,,,,,,,,,,,,,,,,,,,,C14F26HO5-,742.94067,-0.059326172,,,,,,,,,,,,,,,,,,,,,,C14F26HO5-,742.94067,-0.059326172,,,,,,,,,,,,,,,,,,,,C14F26HO5-,742.94067,-0.059326172,,,,,,,,,,
C16F26H8S2I,884.86951,,,,4.0754199,,-0.13049316,C16H34IO6Si5-,589.02362,0.023620605,,,,,,,,,,,,,,,,,,,,C16H34IO6Si5-,589.02362,0.023620605,,,,,,,,,,,,,,,,,,,,,,C16H34IO6Si5-,589.02362,0.023620605,,,,,,,,,,,,,,,,,,,,C16H34IO6Si5-,589.02362,0.023620605,,,,,,,,,,
C17H24IO3-,403.07639,,,2.1497185,,,0.076385498,FHI-,146.91071,-0.089294434,,,,,2.3693824,,,,1.6998683,,,,,,,,,,,FHI-,146.91071,-0.089294434,,,,,1.4471049,,,,,,1.5814911,,,,,,,,,,,FHI-,146.91071,-0.089294434,,,,,1.6755289,,,,,,1.9961487,,,,,,,,,FHI-,146.91071,-0.089294434,,,,,3.1134858,,,,,3.1441607
C17H24IO4-,419.07129,,,1.7014174,,,0.071289062,FHNO2-,65.9991,-0.00090026855,,,,,,,,,,,,,,,,,,,,FHNO2-,65.9991,-0.00090026855,,,,,,,,,,,,,,,,,,,,,,FHNO2-,65.9991,-0.00090026855,,,,,,,,,,,,,,,,,,,,FHNO2-,65.9991,-0.00090026855,,,,,,,,,,
C17H24IO5-,435.06619,,,1.1944629,,,0.066192627,FHNO3-,81.994003,-0.0059967041,,,,,,,,,,,,,,,,,,,,FHNO3-,81.994003,-0.0059967041,,,,,,,,,,,,,,,,,,,,,,FHNO3-,81.994003,-0.0059967041,,,,,,,,,,,,,,,,,,,,FHNO3-,81.994003,-0.0059967041,,,,,,,,,,
C17H26IO5-,437.08179,,,0.72043878,,,0.081787109,FH2INO2-,193.91141,-0.088592529,,,,,,,,,1.5358449,,,,,,,,,,,FH2INO2-,193.91141,-0.088592529,,,,,,,,,,,,,,,,,,,,,,FH2INO2-,193.91141,-0.088592529,,,,,,,,,,,2.2121344,,,,,,,,,FH2INO2-,193.91141,-0.088592529,,,,,,,,,,
C18F30H8SI,952.89099,,,,2.479877,,-0.10900879,FH2INO3-,209.9063,-0.093704224,,,,,,,,,0.36514547,,,,,,,,,,,FH2INO3-,209.9063,-0.093704224,,,,,,,,,,,,,,,,,,,,,,FH2INO3-,209.9063,-0.093704224,,,,,,,,,,,0.75935566,,,,,,,,,FH2INO3-,209.9063,-0.093704224,,,,,,,,,,
C18F30H8S2I-,984.8631,,,,3.6534767,,-0.13690186,FH3IO-,164.9212,-0.078796387,,,,,,,,,1.7490311,,,,,,,,,,,FH3IO-,164.9212,-0.078796387,,,,,,,,,,,,,,,,,,,,,,FH3IO-,164.9212,-0.078796387,,,,,,,,,,,2.0156364,,,,,,,,,FH3IO-,164.9212,-0.078796387,,,,,,,,,,
C20F34H8SI,1052.8846,,,,1.4790227,,-0.11535645,FH3IO2-,180.91611,-0.083892822,,,,,,,,,,,,,,,,,,,,FH3IO2-,180.91611,-0.083892822,,,,,,,,,,,,,,,,,,,,,,FH3IO2-,180.91611,-0.083892822,,,,,,,,,,,,,,,,,,,,FH3IO2-,180.91611,-0.083892822,,,,,,,,,,
C20F34H8S2I-,1084.8567,,,,3.0586836,,-0.14331055,FH3IO2Si-,208.89301,-0.10699463,,,,,,,,,1.3650464,,,,,,,,,,,FH3IO2Si-,208.89301,-0.10699463,,,,,,,,,,,1.1117324,,,,,,,,,,,FH3IO2Si-,208.89301,-0.10699463,,,,,,,,,,,1.6937768,,,,,,,,,FH3IO2Si-,208.89301,-0.10699463,,,,,,,,,,1.7041708
C22F38H8S2I-,1184.8503,,,,2.3124375,,-0.1496582,FINO2-,191.8958,-0.10420227,,,,,,,,,0.27476329,,,,,,,,,,,FINO2-,191.8958,-0.10420227,,,,,,,,,,,,,,,,,,,,,,FINO2-,191.8958,-0.10420227,,,,,,,,,,,0.91840529,,,,,,,,,FINO2-,191.8958,-0.10420227,,,,,,,,,,0.68027514
F4IO2-,234.88789,0.43552023,,,,,-0.11210632,FI2-,272.8074,-0.19259644,,,,,,,,,0.37132618,,,,,,,,,,,FI2-,272.8074,-0.19259644,,,,,,,,,,,,,,,,,,,,,,FI2-,272.8074,-0.19259644,,,,,,,,,,,-0.13445409,,,,,,,,,FI2-,272.8074,-0.19259644,,,,,,,,,,
HINO2-,173.9052,-0.049884927,,,,,-0.094802856,FO2S-,82.960297,-0.039703369,,,,,,,,,,,,,,,,,,,,FO2S-,82.960297,-0.039703369,,,,,,,,,,,,,,,,,,,,,,FO2S-,82.960297,-0.039703369,,,,,,,,,,,1.2810336,,,,,,,,,FO2S-,82.960297,-0.039703369,,,,,,,,,,1.32451
HINO3-,189.9001,,,,,,-0.099899292,F2H2I-,166.9169,-0.083099365,,,,,,,,,2.1036792,,,,,,,,,,,F2H2I-,166.9169,-0.083099365,,,,,,,,,,,,,,,,,,,,,,F2H2I-,166.9169,-0.083099365,,,,,,,,,,,2.6173441,,,,,,,,,F2H2I-,166.9169,-0.083099365,,,,,,,,,,
HIO2-,159.9021,,,,,,-0.097900391,F2H2IO-,182.9118,-0.088195801,,,,,,,,,0.99370891,,,,,,,,,,,F2H2IO-,182.9118,-0.088195801,,,,,,,,,,,,,,,,,,,,,,F2H2IO-,182.9118,-0.088195801,,,,,,,,,,,0.85838878,,,,,,,,,F2H2IO-,182.9118,-0.088195801,,,,,,,,,,0.6327095
HI2O-,270.81171,,,,,,-0.18829346,F2H2IOSi-,210.8887,-0.11129761,,,,,,,,,2.2460999,,,,,,,,,,,F2H2IOSi-,210.8887,-0.11129761,,,,,,,,,,,,,,,,,,,,,,F2H2IOSi-,210.8887,-0.11129761,,,,,,,,,,,3.0576253,,,,,,,,,F2H2IOSi-,210.8887,-0.11129761,,,,,,,,,,2.7681234
H2IO-,144.91499,,,,,,-0.085006714,F2H2IO2Si-,226.88361,-0.11639404,,,,,2.9661858,,,,2.5870824,,,,,,,,,,,F2H2IO2Si-,226.88361,-0.11639404,,,,,2.4490664,,,,,,2.357549,,,,,,,,,,,F2H2IO2Si-,226.88361,-0.11639404,,,,,2.3452542,,,,,,2.6705544,,,,,,,,,F2H2IO2Si-,226.88361,-0.11639404,,,,,2.3993721,,,,,2.3400109
H2IO2-,160.9099,,,,,,-0.090103149,F2H2IO5Si-,274.86829,-0.13171387,,,,,,,,,1.3855529,,,,,,,,,,,F2H2IO5Si-,274.86829,-0.13171387,,,,,,,,,,,,,,,,,,,,,,F2H2IO5Si-,274.86829,-0.13171387,,,,,,,,,,,,,,,,,,,,F2H2IO5Si-,274.86829,-0.13171387,,,,,,,,,,
H2I2O-,271.81949,-0.36014473,,,,,-0.18051147,F2H2NO2-,86.005302,0.0053024292,,,,,,,,,,,,,,,,,,,,F2H2NO2-,86.005302,0.0053024292,,,,,,,,,,,,,,,,,,,,,,F2H2NO2-,86.005302,0.0053024292,,,,,,,,,,,,,,,,,,,,F2H2NO2-,86.005302,0.0053024292,,,,,,,,,,
H4IO2-,162.92551,,,,,,-0.074493408,F2H2NO5Si-,161.9669,-0.033096313,,,,,,,,,,,,,,,,,,,,F2H2NO5Si-,161.9669,-0.033096313,,,,,,,,,,,,,,,,,,,,,,F2H2NO5Si-,161.9669,-0.033096313,,,,,,,,,,,,,,,,,,,,F2H2NO5Si-,161.9669,-0.033096313,,,,,,,,,,
H4IO3-,178.92039,,,,,,-0.079605103,F2I-,164.90131,-0.098693848,,,,,,,,,0.55144286,,,,,,,,,,,F2I-,164.90131,-0.098693848,,,,,,,,,,,,,,,,,,,,,,F2I-,164.90131,-0.098693848,,,,,0.11079593,,,,,,0.053577319,,,,,,,,,F2I-,164.90131,-0.098693848,,,,,,,,,,0.3051531
I-,126.9045,,,,,,-0.095497131,F3HIOSi-,228.8793,-0.12069702,,,,,4.2383819,,,,3.4176483,,,,,,,,,,,F3HIOSi-,228.8793,-0.12069702,,,,,3.2752469,,,,,,3.2842152,,,,,,,,,,,F3HIOSi-,228.8793,-0.12069702,,,,,3.1761878,,,,,,3.8367157,,,,,,,,,F3HIOSi-,228.8793,-0.12069702,,,,,3.1739981,,,,,2.9873018
IC11F13H8NS-,559.92133,,,,3.6014879,,-0.078674316,F3HNO4Si-,163.9626,-0.037399292,,,,,,,,,,,,,,,,,,,,F3HNO4Si-,163.9626,-0.037399292,,,,,,,,,,,,,,,,,,,,,,F3HNO4Si-,163.9626,-0.037399292,,,,,,,,,,,,,,,,,,,,F3HNO4Si-,163.9626,-0.037399292,,,,,,,,,,
IC11F13H10NOS-,577.93182,,,,3.589186,,-0.06817627,F3H2-,59.010799,0.010799408,,,,,,,,,,,,,,,,,,,,F3H2-,59.010799,0.010799408,,,,,,,,,,,,,,,,,,,,,,F3H2-,59.010799,0.010799408,,,,,,,,,,,,,,,,,,,,F3H2-,59.010799,0.010799408,,,,,,,,,,
IC11F13H11N2O3S-,624.9325,,,,0.021592027,,-0.067504883,F3H2O2Si-,118.9775,-0.022499084,,,,,,,,,,,,,,,,,,,,F3H2O2Si-,118.9775,-0.022499084,,,,,,,,,,,,,,,,,,,,,,F3H2O2Si-,118.9775,-0.022499084,,,,,,,,,,,,,,,,,,,,F3H2O2Si-,118.9775,-0.022499084,,,,,,,,,,2.0939825
IC16F26H8S2O-,900.86438,,,,2.5549605,,-0.13562012,F3OSi-,100.967,-0.032997131,,,,,,,,,,,,,,,,,,,,F3OSi-,100.967,-0.032997131,,,,,,,,,,,,,,,,,,,,,,F3OSi-,100.967,-0.032997131,,,,,,,,,,,,,,,,,,,,F3OSi-,100.967,-0.032997131,,,,,,,,,,2.300709
IC16F26H8S3-,916.84161,,,,2.8639903,,-0.15838623,F3Si-,84.972099,-0.027900696,,,,,,,,,,,,,,,,,,,,F3Si-,84.972099,-0.027900696,,,,,,,,,,,,,,,,,,,,,,F3Si-,84.972099,-0.027900696,,,,,,,,,,,,,,,,,,,,F3Si-,84.972099,-0.027900696,,,,,,,,,,2.0011823
IC18F26H12S2-,912.9007,,,,3.5763493,,-0.099304199,F4HOSi-,120.9732,-0.026802063,,,,,,,,,,,,,,,,,,,,F4HOSi-,120.9732,-0.026802063,,,,,,,,,,,,,,,,,,,,,,F4HOSi-,120.9732,-0.026802063,,,,,,,,,,,,,,,,,,,,F4HOSi-,120.9732,-0.026802063,,,,,,,,,,1.9119959
IC18F30H8S3-,1016.8352,,,,2.4421577,,-0.16479492,F4HSi-,104.9783,-0.021697998,,,,,,,,,,,,,,,,,,,,F4HSi-,104.9783,-0.021697998,,,,,,,,,,,,,,,,,,,,,,F4HSi-,104.9783,-0.021697998,,,,,,,,,,,,,,,,,,,,F4HSi-,104.9783,-0.021697998,,,,,,,,,,2.686235
IC20F30H12S2-,1012.8943,,,,2.76406,,-0.10571289,F4H3-,79.016998,0.016998291,,,,,,,,,,,,,,,,,,,,F4H3-,79.016998,0.016998291,,,,,,,,,,,,,,,,,,,,,,F4H3-,79.016998,0.016998291,,,,,,,,,,,,,,,,,,,,F4H3-,79.016998,0.016998291,,,,,,,,,,
IN2-,154.91071,,,,,,-0.089294434,F5Si-,122.9689,-0.031097412,,,,,,,,,,,,,,,,,,,,F5Si-,122.9689,-0.031097412,,,,,,,,,,,,,,,,,,,,,,F5Si-,122.9689,-0.031097412,,,,,,,,,,,,,,,,,,,,F5Si-,122.9689,-0.031097412,,,,,,,,,,1.9200994
IO-,142.8994,,,,,,-0.1006012,HINO2-,173.9052,-0.094802856,,,,,2.6983812,,,,2.6808515,,,,,,,,,,,HINO2-,173.9052,-0.094802856,,,,,2.503859,,,,,,2.9083438,,,,,,,,,,,HINO2-,173.9052,-0.094802856,,,,,2.7086535,,,,,,2.9908743,,,,,,,,,HINO2-,173.9052,-0.094802856,,,,,2.3855469,,,,,2.9592636
I2-,253.80901,-0.55530185,,,,,-0.19099426,HINO3-,189.9001,-0.099899292,,,,,0.4666228,,,,0.14240834,,,,,,,,,,,HINO3-,189.9001,-0.099899292,,,,,0.27281177,,,,,,0.39733952,,,,,,,,,,,HINO3-,189.9001,-0.099899292,,,,,0.43367878,,,,,,0.87688786,,,,,,,,,HINO3-,189.9001,-0.099899292,,,,,0.30054772,,,,,0.34605917
I2NO2-,299.80191,-0.56494093,,,,,-0.1980896,HIO2-,159.9021,-0.097900391,,,,,,,,,-0.15170652,,,,,,,,,,,HIO2-,159.9021,-0.097900391,,,,,,,,,,,,,,,,,,,,,,HIO2-,159.9021,-0.097900391,,,,,,,,,,,-0.23530719,,,,,,,,,HIO2-,159.9021,-0.097900391,,,,,,,,,,0.22279678
I2O-,269.80389,,,,,,-0.19610596,HI2O-,270.81171,-0.18829346,,,,,,,,,,,,,,,,,,,,HI2O-,270.81171,-0.18829346,,,,,,,,,,,,,,,,,,,,,,HI2O-,270.81171,-0.18829346,,,,,,,,,,,,,,,,,,,,HI2O-,270.81171,-0.18829346,,,,,,,,,,
I3-,380.7135,,,,,,-0.28649902,HN2O4-,92.993599,-0.006401062,,,,,,,,,,,,,,,,,,,,HN2O4-,92.993599,-0.006401062,,,,,,,,,,,,,,,,,,,,,,HN2O4-,92.993599,-0.006401062,,,,,,,,,,,,,,,,,,,,HN2O4-,92.993599,-0.006401062,,,,,,,,,,
NO3-,61.987801,,,,,,-0.012199402,HN2O5-,108.9885,-0.011497498,,,,,,,,,,,,,,,,,,,,HN2O5-,108.9885,-0.011497498,,,,,,,,,,,,,,,,,,,,,,HN2O5-,108.9885,-0.011497498,,,,,,,,,,,,,,,,,,,,HN2O5-,108.9885,-0.011497498,,,,,,,,,,
,,,,,,,,HN2O6-,124.9834,-0.016601562,,,,,,,,,,,,,,,,,,,,HN2O6-,124.9834,-0.016601562,,,,,,,,,,,,,,,,,,,,,,HN2O6-,124.9834,-0.016601562,,,,,,,,,,,,,,,,,,,,HN2O6-,124.9834,-0.016601562,,,,,,,,,,
,,,,,,,,HO4S-,96.959503,-0.040496826,,,,,,,,,,,,,,,,,,,,HO4S-,96.959503,-0.040496826,,,,,,,,,,,,,,,,,,,,,,HO4S-,96.959503,-0.040496826,,,,,,,,,,,,,,,,,,,,HO4S-,96.959503,-0.040496826,,,,,,,,,,2.6001067
,,,,,,,,HO5S-,112.9544,-0.045600891,,,,,,,,,,,,,,,,,,,,HO5S-,112.9544,-0.045600891,,,,,,,,,,,,,,,,,,,,,,HO5S-,112.9544,-0.045600891,,,,,,,,,,,,,,,,,,,,HO5S-,112.9544,-0.045600891,,,,,,,,,,2.0612891
,,,,,,,,H2IO-,144.91499,-0.085006714,,,,,,,,,,,,,,,,,,,,H2IO-,144.91499,-0.085006714,,,,,,,,,,,,,,,,,,,,,,H2IO-,144.91499,-0.085006714,,,,,,,,,,,,,,,,,,,,H2IO-,144.91499,-0.085006714,,,,,,,,,,
,,,,,,,,H2IO2-,160.9099,-0.090103149,,,,,,,,,,,,,,,,,,,,H2IO2-,160.9099,-0.090103149,,,,,,,,,,,,,,,,,,,,,,H2IO2-,160.9099,-0.090103149,,,,,,,,,,,,,,,,,,,,H2IO2-,160.9099,-0.090103149,,,,,,,,,,
,,,,,,,,H2IO4S-,224.8718,-0.12820435,,,,,,,,,2.8092215,,,,,,,,,,,H2IO4S-,224.8718,-0.12820435,,,,,,,,,,,,,,,,,,,,,,H2IO4S-,224.8718,-0.12820435,,,,,,,,,,,,,,,,,,,,H2IO4S-,224.8718,-0.12820435,,,,,,,,,,
,,,,,,,,H2IO6-,224.8895,-0.11050415,,,,,,,,,1.3417491,,,,,,,,,,,H2IO6-,224.8895,-0.11050415,,,,,,,,,,,,,,,,,,,,,,H2IO6-,224.8895,-0.11050415,,,,,,,,,,,1.6993558,,,,,,,,,H2IO6-,224.8895,-0.11050415,,,,,,,,,,1.4289665
,,,,,,,,H2NO3-,64.003403,0.00340271,,,,,,,,,,,,,,,,,,,,H2NO3-,64.003403,0.00340271,,,,,,,,,,,,,,,,,,,,,,H2NO3-,64.003403,0.00340271,,,,,,,,,,,,,,,,,,,,H2NO3-,64.003403,0.00340271,,,,,,,,,,
,,,,,,,,H2NO4-,79.998299,-0.001701355,,,,,,,,,,,,,,,,,,,,H2NO4-,79.998299,-0.001701355,,,,,,,,,,,,,,,,,,,,,,H2NO4-,79.998299,-0.001701355,,,,,,,,,,,,,,,,,,,,H2NO4-,79.998299,-0.001701355,,,,,,,,,,
,,,,,,,,H4IO2-,162.92551,-0.074493408,,,,,,,,,,,,,,,,,,,,H4IO2-,162.92551,-0.074493408,,,,,,,,,,,,,,,,,,,,,,H4IO2-,162.92551,-0.074493408,,,,,,,,,,,,,,,,,,,,H4IO2-,162.92551,-0.074493408,,,,,,,,,,
,,,,,,,,H4IO3-,178.92039,-0.079605103,,,,,,,,,,,,,,,,,,,,H4IO3-,178.92039,-0.079605103,,,,,,,,,,,,,,,,,,,,,,H4IO3-,178.92039,-0.079605103,,,,,,,,,,,,,,,,,,,,H4IO3-,178.92039,-0.079605103,,,,,,,,,,
,,,,,,,,H5O3-,53.023701,0.023700714,,,,,,,,,,,,,,,,,,,,H5O3-,53.023701,0.023700714,,,,,,,,,,,,,,,,,,,,,,H5O3-,53.023701,0.023700714,,,,,,,,,,,,,,,,,,,,H5O3-,53.023701,0.023700714,,,,,,,,,,
,,,,,,,,H7O4-,71.034203,0.034202576,,,,,,,,,,,,,,,,,,,,H7O4-,71.034203,0.034202576,,,,,,,,,,,,,,,,,,,,,,H7O4-,71.034203,0.034202576,,,,,,,,,,,,,,,,,,,,H7O4-,71.034203,0.034202576,,,,,,,,,,
,,,,,,,,I-,126.9045,-0.095497131,,,,,,,,,,,,,,,,,,,,I-,126.9045,-0.095497131,,,,,,,,,,,,,,,,,,,,,,I-,126.9045,-0.095497131,,,,,,,,,,,,,,,,,,,,I-,126.9045,-0.095497131,,,,,,,,,,
,,,,,,,,INOSi-,184.87939,-0.12060547,,,,,1.3962013,,,,1.9091986,,,,,,,,,,,INOSi-,184.87939,-0.12060547,,,,,1.2789028,,,,,,1.2952713,,,,,,,,,,,INOSi-,184.87939,-0.12060547,,,,,1.1617241,,,,,,,,,,,,,,,INOSi-,184.87939,-0.12060547,,,,,1.8734945,,,,,
,,,,,,,,IN2-,154.91071,-0.089294434,,,,,,,,,,,,,,,,,,,,IN2-,154.91071,-0.089294434,,,,,,,,,,,,,,,,,,,,,,IN2-,154.91071,-0.089294434,,,,,,,,,,,-0.90975863,,,,,,,,,IN2-,154.91071,-0.089294434,,,,,,,,,,
,,,,,,,,IN2O4-,218.8903,-0.10969543,,,,,,,,,2.0779164,,,,,,,,,,,IN2O4-,218.8903,-0.10969543,,,,,,,,,,,,,,,,,,,,,,IN2O4-,218.8903,-0.10969543,,,,,,,,,,,1.7432294,,,,,,,,,IN2O4-,218.8903,-0.10969543,,,,,,,,,,1.4061922
,,,,,,,,IN2O5-,234.88519,-0.11480713,,,,,,,,,,,,,,,,,,,,IN2O5-,234.88519,-0.11480713,,,,,,,,,,,,,,,,,,,,,,IN2O5-,234.88519,-0.11480713,,,,,,,,,,,-0.28487858,,,,,,,,,IN2O5-,234.88519,-0.11480713,,,,,,,,,,-0.77577996
,,,,,,,,IO-,142.8994,-0.1006012,,,,,,,,,,,,,,,,,,,,IO-,142.8994,-0.1006012,,,,,,,,,,,,,,,,,,,,,,IO-,142.8994,-0.1006012,,,,,,,,,,,,,,,,,,,,IO-,142.8994,-0.1006012,,,,,,,,,,
,,,,,,,,IO2S-,190.86639,-0.13360596,,,,,2.5153027,,,,1.9131713,,,,,,,,,,,IO2S-,190.86639,-0.13360596,,,,,2.1470423,,,,,,2.0588641,,,,,,,,,,,IO2S-,190.86639,-0.13360596,,,,,2.4389288,,,,,,2.5950732,,,,,,,,,IO2S-,190.86639,-0.13360596,,,,,3.0866432,,,,,3.024796
,,,,,,,,IO3S-,206.8613,-0.13870239,,,,,3.5839124,,,,3.1485777,,,,,,,,,,,IO3S-,206.8613,-0.13870239,,,,,3.4370837,,,,,,3.3022101,,,,,,,,,,,IO3S-,206.8613,-0.13870239,,,,,3.512044,,,,,,3.499692,,,,,,,,,IO3S-,206.8613,-0.13870239,,,,,2.9800768,,,,,2.9118207
,,,,,,,,I2-,253.80901,-0.19099426,,,,,,,,,,,,,,,,,,,,I2-,253.80901,-0.19099426,,,,,,,,,,,,,,,,,,,,,,I2-,253.80901,-0.19099426,,,,,,,,,,,,,,,,,,,,I2-,253.80901,-0.19099426,,,,,,,,,,
,,,,,,,,I2NO2-,299.80191,-0.1980896,,,,,,,,,2.5077221,,,,,,,,,,,I2NO2-,299.80191,-0.1980896,,,,,,,,,,,,,,,,,,,,,,I2NO2-,299.80191,-0.1980896,,,,,,,,,,,2.6761291,,,,,,,,,I2NO2-,299.80191,-0.1980896,,,,,,,,,,2.7021964
,,,,,,,,I2O-,269.80389,-0.19610596,,,,,,,,,,,,,,,,,,,,I2O-,269.80389,-0.19610596,,,,,,,,,,,,,,,,,,,,,,I2O-,269.80389,-0.19610596,,,,,,,,,,,,,,,,,,,,I2O-,269.80389,-0.19610596,,,,,,,,,,
,,,,,,,,I3-,380.7135,-0.28649902,,,,,,,,,-0.57609451,,,,,,,,,,,I3-,380.7135,-0.28649902,,,,,,,,,,,,,,,,,,,,,,I3-,380.7135,-0.28649902,,,,,,,,,,,-0.99857748,,,,,,,,,I3-,380.7135,-0.28649902,,,,,,,,,,
,,,,,,,,NO2-,45.992901,-0.0070991516,,,,,,,,,,,,,,,,,,,,NO2-,45.992901,-0.0070991516,,,,,,,,,,,,,,,,,,,,,,NO2-,45.992901,-0.0070991516,,,,,,,,,,,,,,,,,,,,NO2-,45.992901,-0.0070991516,,,,,,,,,,
,,,,,,,,NO3-,61.987801,-0.012199402,,,,,,,,,,,,,,,,,,,,NO3-,61.987801,-0.012199402,,,,,,,,,,,,,,,,,,,,,,NO3-,61.987801,-0.012199402,,,,,,,,,,,,,,,,,,,,NO3-,61.987801,-0.012199402,,,,,,,,,,
,,,,,,,,NO6S-,141.9446,-0.055404663,,,,,,,,,,,,,,,,,,,,NO6S-,141.9446,-0.055404663,,,,,,,,,,,,,,,,,,,,,,NO6S-,141.9446,-0.055404663,,,,,,,,,,,,,,,,,,,,NO6S-,141.9446,-0.055404663,,,,,,,,,,
,,,,,,,,O2S-,63.961899,-0.038101196,,,,,,,,,,,,,,,,,,,,O2S-,63.961899,-0.038101196,,,,,,,,,,,,,,,,,,,,,,O2S-,63.961899,-0.038101196,,,,,,,,,,,,,,,,,,,,O2S-,63.961899,-0.038101196,,,,,,,,,,0.77479374
,,,,,,,,O3S-,79.956802,-0.043197632,,,,,,,,,,,,,,,,,,,,O3S-,79.956802,-0.043197632,,,,,,,,,,,,,,,,,,,,,,O3S-,79.956802,-0.043197632,,,,,,,,,,,,,,,,,,,,O3S-,79.956802,-0.043197632,,,,,,,,,,2.0691195
,,,,,,,,O4S-,95.951698,-0.048301697,,,,,,,,,,,,,,,,,,,,O4S-,95.951698,-0.048301697,,,,,,,,,,,,,,,,,,,,,,O4S-,95.951698,-0.048301697,,,,,,,,,,,,,,,,,,,,O4S-,95.951698,-0.048301697,,,,,,,,,,2.1499839
,,,,,,,,O5S-,111.9466,-0.053398132,,,,,,,,,,,,,,,,,,,,O5S-,111.9466,-0.053398132,,,,,,,,,,,,,,,,,,,,,,O5S-,111.9466,-0.053398132,,,,,,,,,,,,,,,,,,,,O5S-,111.9466,-0.053398132,,,,,,,,,,2.7926974