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
BH3IO3-,188.92191,,,,,,-0.078094482,BH3IO3-,188.92191,-0.078094482,,,,,,,,,,
CClIN-,187.8765,-0.29366896,,,,,-0.12350464,Br-,78.918297,-0.081703186,,,,,,,,,,
CHI2O2-,298.80661,0.40948564,,,,,-0.19338989,BrINO2-,251.8157,-0.18429565,,,,,,,,,0.86388731,
CH2IO2-,172.9099,,,0.56945461,,,-0.090103149,CFH2O2-,65.003799,0.0037994385,,,,,,,,,,
CH3INO-,171.9259,,,,,0.79595846,-0.07409668,CFH2O3-,80.998703,-0.0012969971,,,,,,,,,,
CH3I2O-,284.8273,,,,,,-0.17269897,CFH3IO2-,192.91611,-0.083892822,,,,,,,,,,
CH3I2O2-,300.8222,,,,,,-0.17779541,CFH4I2O-,304.8335,-0.16650391,,,,,,,,,0.74518138,
CH4IN2O-,186.9368,,,,,,-0.063201904,CFO2-,62.988201,-0.011798859,,,,,,,,,,
CH5IN3O4-,249.9324,,,,,,-0.067596436,CF2H3O2-,85.010002,0.010002136,,,,,,,,,,
CH5I2N2O-,314.84909,-0.52396721,,,,,-0.15090942,CF2H3O3-,101.0049,0.0048980713,,,,,,,,,,
CH5I2O2-,302.8378,,,,,,-0.16220093,CF2H5I2O-,324.83969,-0.16030884,,,,,,,,,1.4622514,
CI2N-,279.8121,-0.82203525,,,,,-0.18789673,CF3-,68.995201,-0.0047988892,,,,,,,,,,
CI2NO-,295.80701,-0.61513466,,,,,-0.19299316,CHIN-,153.91541,-0.084594727,2.7070067,,,,,,,,,2.6458011
ClINO2-,207.8663,-0.3204028,,,,,-0.13369751,CHINO-,169.91029,-0.089706421,,,,3.329895,,,,3.1556907,,
ClIO-,177.8683,-0.80718011,,,,,-0.13169861,CHINS-,185.8875,-0.11250305,1.7417344,,,,,,,,,2.1485584
ClI2-,288.77789,-0.50860947,,,,,-0.22210693,CHN2O3-,88.998703,-0.0012969971,,,,,,,,,,
Cl2I-,196.8423,-0.62057054,,,,,-0.15769958,CHO2-,44.997601,-0.0023994446,,,,,,,,,,
C2ClH3IO2-,220.8866,0.50389862,,,,,-0.11340332,CHO3-,60.9925,-0.0074996948,,,,,,,,,,
C2F2H2IO2-,222.90669,,,,,,-0.093307495,CH2IO2-,172.9099,-0.090103149,,0.56587195,,,,0.28542307,,,,
C2F3HIO2-,240.89729,,,,,,-0.10270691,CH2NO4-,91.998299,-0.001701355,,,,,,,,,,
C2H2IO3-,200.9048,,,,,,-0.095199585,CH2NO5-,107.9932,-0.0067977905,,,,,,,,,,
C2H2IO4-,216.8997,,,-0.85183293,,,-0.10029602,CH3I2O-,284.8273,-0.17269897,,,,,,,,,,
C2H2I2O-,295.81949,,,,,,-0.18051147,CH3O4-,79.002998,0.0029983521,,,,,,,,,,
C2H3I2O2-,312.8222,0.7968598,,,,,-0.17779541,CH4IN2O-,186.9368,-0.063201904,,,,0.1125299,,,,-0.24115621,,
C2H3O2-,59.013199,,,,,,0.013198853,CIN2O2-,198.9005,-0.099502563,,,,,,,,,2.3586793,
C2H4IN2O2-,214.9317,,,,,,-0.06829834,CIN2O3-,214.8954,-0.104599,,,,,,,,,2.5207829,
C2H4IN2O8-,310.90109,,,,,,-0.098907471,CIO3-,186.88921,-0.11079407,,,,,,,,,1.5212371,
C2H4IO2-,186.92551,,,2.1587813,,,-0.074493408,CI2N-,279.8121,-0.18789673,,,,,,,,,0.54719019,
C2H4IO3-,202.92039,,,-0.66252154,,,-0.079605103,CI2NO-,295.80701,-0.19299316,,,,,,,,,1.3358239,
C2H4O4-,92.010803,,,,,,0.010803223,ClFH-,54.975101,-0.024898529,,,,,,,,,,
C2H5INO-,185.9415,,,,,1.4036019,-0.058502197,ClFI-,180.8718,-0.12820435,,,,,,,,,-0.33840045,
C2H5INO2-,201.9364,,,,,0.1611158,-0.063598633,ClHNO2-,81.969597,-0.030403137,,,,,,,,,,
C2H5O3-,77.023697,,,,,,0.023696899,ClINO2-,207.8663,-0.13369751,,,,,,,,,1.1934166,
C2H6IO2-,188.9411,,,2.0750318,,,-0.058898926,ClI2-,288.77789,-0.22210693,,,,,,,,,1.4768965,
C2H6IO2S-,220.91319,,,,,,-0.086807251,Cl2I-,196.8423,-0.15769958,,,,,,,,,0.92126179,
C2H6IO3-,204.936,,,0.6956709,,,-0.063995361,CNS-,57.975201,-0.024799347,,,,,,,,,,
C3ClH3IO2-,232.8866,1.9615484,,,,,-0.11340332,C2ClH3IO2-,220.8866,-0.11340332,,,,,0.52247822,,,,0.064934775,
C3F3H3IO2-,254.9129,,,,,,-0.087097168,C2FH3IO2-,204.91611,-0.083892822,,,-0.3090468,,,,0.070372321,,,
C3F5HIO2-,290.8941,,,,,,-0.105896,C2F2H2I-,190.9169,-0.083099365,,,1.8816121,,,,1.0188723,,,
C3F5HIO3-,306.88901,,,,,,-0.11099243,C2F2H2INO-,220.9149,-0.085098267,,,,,,,,,,
C3H3I2O2-,324.8222,2.1968215,,,,,-0.17779541,C2F2H2IO2-,222.90669,-0.093307495,,,0.32866237,,,,1.1279259,,,
C3H3O2-,71.013199,,,,,,0.013198853,C2F2INO3-,250.8891,-0.11090088,,,,,1.1872965,,,,0.58391953,
C3H4IN2-,194.94189,,-0.29662046,,,,-0.058105469,C2F3HIO2-,240.89729,-0.10270691,,,1.8602773,,,,2.2459922,,,
C3H4IO2-,198.92551,,,2.9142792,,,-0.074493408,C2F3HNO4-,159.9857,-0.014297485,,,,,,,,,,
C3H4IO3-,214.92039,,,-0.71731853,,,-0.079605103,C2F3HNO5-,175.98061,-0.019393921,,,,,,,,,,
C3H4IO4-,230.9153,,,,,,-0.084701538,C2F3H2INO-,239.9133,-0.086700439,,,0.89567649,,,,2.0650141,,,
C3H5INO-,197.9415,,,,,3.4769683,-0.058502197,C2F3H2O3-,130.9955,-0.0045013428,,,,,,,,,,
C3H5INO2-,213.9364,,,,,0.79727024,-0.063598633,C2F3O2-,112.985,-0.01499939,,,,,,,,,,
C3H5INO3-,229.9313,,,,,,-0.068695068,C2F4HO2-,132.9912,-0.0088043213,,,,,,,,,,
C3H5O3-,89.023697,,,,,,0.023696899,C2F4H2INO-,258.91171,-0.088287354,,,0.34568119,,,,0.2759448,,,
C3H6IO2-,200.9411,,,1.3405225,,,-0.058898926,C2H2IO3-,200.9048,-0.095199585,,0.89350927,,,,0.27861959,,,,
C3H6IO3-,216.936,,,,,,-0.063995361,C2H2IO4-,216.8997,-0.10029602,,1.2195845,,,,0.71129334,,,,
C3H7INO2-,215.952,,,,,-0.096285857,-0.04800415,C2H2NO4-,103.9983,-0.001701355,,,,,,,,,,
C3H7I2O3-,344.8483,0.037633408,,,,,-0.15170288,C2H3INO-,183.9259,-0.07409668,,,,0.27538672,,,,0.32652026,,
C3H8IOS-,218.9339,,,,,,-0.066101074,C2H3INO2-,199.92081,-0.079193115,,,,-0.60926223,,,,-0.4822166,,
C3H8IO2-,202.9567,,,-0.12480263,,,-0.043304443,C2H3O2-,59.013199,0.013198853,,,,,,,,,,
C3H8IO3-,218.9516,,,,,,-0.048400879,C2H4IN2O2-,214.9317,-0.06829834,,,,0.52000988,,,,0.06441883,,
C3H9I2O3-,346.86389,-0.091054425,,,,,-0.1361084,C2H4IO2-,186.92551,-0.074493408,,-0.33722794,,,,-0.36160579,,,,
C4F5H8IO-,293.9538,,,,,,-0.046203613,C2H4IO3-,202.92039,-0.079605103,,1.4053683,,,,0.74258763,,,,
C4F6H2IO2-,322.9003,,,,,,-0.099700928,C2IN2O-,194.90559,-0.094406128,,,,,,,,,2.1365473,
C4F7HIO2-,340.8909,,,,,,-0.10910034,C2IN2O2-,210.9005,-0.099502563,,,,,,,,,2.6580911,
C4F9H5I-,350.92911,,,,,,-0.070892334,C3FH5IO2-,218.9317,-0.06829834,,,-0.21876033,,,,-0.91847634,,,
C4H6IO3-,228.936,,,,,,-0.063995361,C3F2IO2Si-,260.86801,-0.13198853,,,,,,,,,0.77828968,
C4H6IO4-,244.93089,,,,,,-0.069107056,C3F3H2O4-,158.9904,-0.0095977783,,,,,,,,,,
C4H7INO3-,243.9469,,,,,,-0.053100586,C3F4H2IO2-,272.9035,-0.096496582,,,-0.08961881,,,,0.12978815,,,
C4H8IO2-,214.9567,,,1.8055928,,,-0.043304443,C3F5HIO2-,290.8941,-0.105896,,,0.40237775,,,,0.41457024,,,
C4H8IO3-,230.9516,,,0.059704971,,,-0.048400879,C3F5HIO3-,306.88901,-0.11099243,,,0.88827735,,,,0.4603799,,,
C4H8IO4-,246.9465,,,,,,-0.053497314,C3F5HNO5-,225.9774,-0.022598267,,,,,,,,,,
C4H9INO2-,229.96761,,,,,,-0.032394409,C3F5O2-,162.9818,-0.018203735,,,,,,,,,,
C4H10INO3-,246.97031,,,,,0.6785146,-0.029693604,C3F6HO2-,182.98801,-0.011993408,,,,,,,,,,
C4H10IO2-,216.97231,,,1.1561148,,,-0.027694702,C3F6H2IO2-,310.9003,-0.099700928,,,1.6188016,,,,3.2675998,,,
C4H10IO3-,232.96719,,,2.5683253,,,-0.032806396,C3F7O-,184.9837,-0.016296387,,,,,,,,,,
C4H10IO5-,264.957,,,0.98674428,,,-0.042999268,C3H2IN3O3-,254.91409,-0.085906982,,,,0.37929937,,,,0.10783894,,
C4H11INO3-,247.9781,,,,,0.41469842,-0.021896362,C3H2IO3-,212.9048,-0.095199585,,0.070269726,,,,-0.38407603,,,,
C4H11I2O3-,360.87949,-0.566939,,,,,-0.12051392,C3H3INO-,195.9259,-0.07409668,,,,0.49001774,,,,0.32365924,,
C4H12IO4-,250.97771,,,-0.11772306,,,-0.022293091,C3H3INO2-,211.92081,-0.079193115,,,,1.1763065,,,,0.67005014,,
C4H12IO5-,266.9726,,,-0.26082331,,,-0.027404785,C3H4IO3-,214.92039,-0.079605103,,0.58891892,,,,0.079206198,,,,
C5F5H5IO4-,350.9151,,,,,,-0.084899902,C3H4IO4-,230.9153,-0.084701538,,0.85321575,,,,0.41005242,,,,
C5F8H2IO2-,372.89709,,,,,,-0.10290527,C3H5INO-,197.9415,-0.058502197,,,,0.44263145,,,,0.2136718,,
C5F9HIO2-,390.8877,,,,,,-0.11230469,C3H5INO2-,213.9364,-0.063598633,,,,0.25101188,,,,0.18372305,,
C5F11HO3-,317.97491,,,,,,-0.025085449,C3H5O3-,89.023697,0.023696899,,,,,,,,,,
C5H6IO4-,256.93091,,,,,,-0.069091797,C3H6IO2-,200.9411,-0.058898926,,0.96484995,,,,0.0080371089,,,,
C5H7INO3-,255.9469,,,,,-0.18329239,-0.053100586,C3H6IO3-,216.936,-0.063995361,,1.3976936,,,,0.80291069,,,,
C5H8IO3-,242.9516,,,,,,-0.048400879,C3H6IO4-,232.93089,-0.069107056,,0.49703988,,,,0.070632443,,,,
C5H8IO4-,258.9465,,,,,,-0.053497314,C3H7INO2-,215.952,-0.04800415,,,,0.13015975,,,,-0.36308154,,
C5H8IO5-,274.94141,,,,,,-0.05859375,C3H8IO3-,218.9516,-0.048400879,,0.49061009,,,,0.107726,,,,
C5H9INO-,225.9727,,,,,0.53782326,-0.027297974,C4F6HO4-,226.9778,-0.022201538,,,,,,,,,,
C5H9INO3-,257.96249,,,,,,-0.037506104,C4F6H2IO2-,322.9003,-0.099700928,,,0.6312362,,,,0.16277109,,,
C5H10IO5-,276.957,,,-0.19547576,,,-0.042999268,C4F6H2IO4-,354.89011,-0.1098938,,,0.37216556,,,,1.02802,,,
C5H10IO6-,292.9519,,,,,,-0.048095703,C4F7HIO2-,340.8909,-0.10910034,,,0.83931243,,,,0.92492533,,,
C5H12IO2-,230.9879,,,1.3428167,,,-0.01210022,C4F7HIO3-,356.8858,-0.11419678,,,1.0888774,,,,0.71971738,,,
C5H12IO4-,262.97769,,,,,,-0.02230835,C4H2IN2-,204.9263,-0.073699951,1.4640925,,,,,,,,,1.700247
C5H12IO4S-,294.9498,,,,,,-0.050201416,C4H3INO2-,223.92081,-0.079193115,,,,0.76954496,,,,0.74403983,,
C5H13I2O5-,406.88489,,,,,,-0.1151123,C4H4IO3-,226.92039,-0.079605103,,0.85101032,,,,0.27436575,,,,
C6F9H5IO-,390.92401,,,,0.46871114,,-0.07598877,C4H4IO4-,242.9153,-0.084701538,,0.74799556,,,,1.0358175,,,,
C6F11HIO2-,440.88449,,,,,,-0.11550903,C4H5INO2-,225.9364,-0.063598633,,,,0.8111397,,,,0.47439143,,
C6H4INO-,232.9337,,,,,-0.13046426,-0.066299438,C4H6IO3-,228.936,-0.063995361,,0.70192075,,,,0.17834872,,,,
C6H4INO2-,248.9286,,,,,-0.55047345,-0.071395874,C4H6IO4-,244.93089,-0.069107056,,0.76937479,,,,0.46907052,,,,
C6H5INO3-,265.9313,,,,,,-0.068695068,C4H6IO5-,260.92581,-0.074188232,,0.70970762,,,,0.28586802,,,,
C6H6IO4-,268.93091,,,-0.88602722,,,-0.069091797,C4H8IO2-,214.9567,-0.043304443,,2.1149335,,,,1.7285569,,,,
C6H6IO5-,284.92581,,,,,,-0.074188232,C4H8IO3-,230.9516,-0.048400879,,0.73935306,,,,0.18922904,,,,
C6H8IO3-,254.9516,,,1.3246839,,,-0.048400879,C4H8IO4-,246.9465,-0.053497314,,0.53015983,,,,0.23932643,,,,
C6H8IO4-,270.9465,,,,,,-0.053497314,C5F8HO4-,276.97461,-0.025390625,,,,,,,,,,
C6H8IO5-,286.94141,,,,,,-0.05859375,C5F8H2IO2-,372.89709,-0.10290527,,,0.74664289,,,,1.3496155,,,
C6H10IO3-,256.96719,,,-0.85153413,,,-0.032806396,C5F9HIO2-,390.8877,-0.11230469,,,0.74861211,,,,0.39807382,,,
C6H10IO4-,272.9621,,,,,,-0.037902832,C5F9HIO3-,406.8826,-0.11740112,,,0.61077011,,,,0.13032024,,,
C6H10IO5-,288.957,,,,,,-0.042999268,C5F9O2-,262.9754,-0.024597168,,,,,,,,,,
C6H12IO2-,242.9879,,,1.3048111,,,-0.01210022,C5F9O3-,278.97031,-0.029693604,,,,,,,,,,
C6H12IO3-,258.98279,,,0.43918937,,,-0.017211914,C5H4IO3-,238.92039,-0.079605103,,0.82710069,,,,0.38522243,,,,
C6H12IO4-,274.97769,,,,,,-0.02230835,C5H5INO2-,237.9364,-0.063598633,,,,0.82842308,,,,0.43511176,,
C6H13INO3-,273.99371,,,,,,-0.0062866211,C5H6IO4-,256.93091,-0.069091797,,0.46855089,,,,0.45747331,,,,
C6H13IN2O8-,367.97131,,,,,,-0.028686523,C5H6IO5-,272.92581,-0.074188232,,0.34310973,,,,0.24784449,,,,
C6H13I2O2-,370.90021,-0.00071229262,,,,,-0.09979248,C5H7INO3-,255.9469,-0.053100586,,,,0.24938636,,,,-0.093308613,,
C6H14IO2-,245.00349,,,4.0026326,,,0.0034942627,C5H7O3-,115.0393,0.039299011,,,,,,,,,,
C6H14IO3-,260.99841,,,0.91778803,,,-0.0015869141,C5H8IO3-,242.9516,-0.048400879,,0.83955395,,,,0.23867446,,,,
C6H14IO4-,276.99329,,,0.98581427,,,-0.0067138672,C5H8IO4-,258.9465,-0.053497314,,0.60511029,,,,0.35661519,,,,
C7F11H5IO-,440.92081,,,,0.36367306,,-0.079193115,C5H8IO5-,274.94141,-0.05859375,,0.48929986,,,,0.22337632,,,,
C7H6IO3-,264.936,,,,,,-0.063995361,C5H10IO2-,228.97231,-0.027694702,,,,,,1.0392935,,,,
C7H7INO4-,295.9418,,,,,,-0.058197021,C5H10IO3-,244.96719,-0.032806396,,0.63451594,,,,0.090141945,,,,
C7H7IN3-,259.96841,,1.6759536,,,,-0.031585693,C5H10IO6-,292.9519,-0.048095703,,0.3869493,,,,-0.48551744,,,,
C7H8INO-,248.9649,,,,,-0.07620392,-0.035095215,C5H12IO2-,230.9879,-0.01210022,,1.8397748,,,,1.2061157,,,,
C7H8IO4-,282.9465,,,,,,-0.053497314,C6F10HO4-,326.97141,-0.028594971,,,,,,,,,,
C7H8IO5-,298.94141,,,,,,-0.05859375,C6F10HO5-,342.96631,-0.033691406,,,,,,,,,,
C7H10IO2-,252.97231,,,1.5457604,,,-0.027694702,C6F10H2IO2-,422.89389,-0.10610962,,,0.81197917,,,,0.90657943,,,
C7H10IO3-,268.96719,,,0.25983259,,,-0.032806396,C6F10H2IO4-,454.8837,-0.11630249,,,-0.37325338,,,,-0.10454715,,,
C7H10IO4-,284.9621,,,,,,-0.037902832,C6F11HIO2-,440.88449,-0.11550903,,,0.74470466,,,,0.87462533,,,
C7H10IO5-,300.957,,,,,,-0.042999268,C6F11HIO3-,456.87939,-0.12060547,,,,,,,0.29480323,,,
C7H12IO4-,286.97769,,,,,,-0.02230835,C6H5INO2-,249.9364,-0.063598633,,,,0.74475926,,,,0.37352553,,
C7H12IO5-,302.9726,,,,,,-0.027404785,C6H6IN2O-,248.95239,-0.047607422,,,,0.53334576,,,,0.21268043,,
C7H14IO3-,272.99841,,,-0.20523512,,,-0.0015869141,C6H6IO4-,268.93091,-0.069091797,,0.054315858,,,,-0.03454547,,,,
C7H15INO3-,288.00931,,,,,,0.0093078613,C6H8IO4-,270.9465,-0.053497314,,0.4493247,,,,0.46851754,,,,
C8ClF13H5O-,398.98199,,,,,,-0.018005371,C6H8IO5-,286.94141,-0.05859375,,0.30107132,,,,0.16429478,,,,
C8ClF14H9NOS-,467.98679,,,,,,-0.013214111,C6H8IO6-,302.93631,-0.063690186,,0.27537364,,,,-0.011124425,,,,
C8F13H5IO-,490.9176,,,,2.3415651,,-0.082397461,C6H10IO3-,256.96719,-0.032806396,,0.84305942,,,,0.1654402,,,,
C8F16NO2S-,477.93939,,,,,,-0.06060791,C6H10IO4-,272.9621,-0.037902832,,0.53698874,,,,0.27009198,,,,
C8H10IO-,248.9774,,,0.20720088,,,-0.022598267,C6H10IO5-,288.957,-0.042999268,,0.24852106,,,,0.10961111,,,,
C8H10IO4-,296.9621,,,,,,-0.037902832,C6H12IO2-,242.9879,-0.01210022,,0.70640564,,,,0.80063385,,,,
C8H10IO5-,312.957,,,,,,-0.042999268,C6H20IO4Si3-,366.97079,-0.029205322,,,,,0.29119912,,,,-0.74977762,
C8H12IO3-,282.98279,,,,,,-0.017211914,C7F13HIO2-,490.88129,-0.11871338,,,,,,,0.40027609,,,
C8H12IO4-,298.97769,,,,,,-0.02230835,C7F13HIO3-,506.87619,-0.12380981,,,,,,,-0.35445625,,,
C8H12IO5-,314.9726,,,,,,-0.027404785,C7H6IO2-,248.9411,-0.058898926,,0.58146209,,,,0.25268036,,,,
C8H14IO3-,284.99841,,,,,,-0.0015869141,C7H6IO4-,280.93091,-0.069091797,,0.75350207,,,,0.43950063,,,,
C8H14IO4-,300.99329,,,,,,-0.0067138672,C7H7INO2-,263.952,-0.04800415,,,,0.39841577,,,,0.085387394,,
C8H14IO5-,316.98819,,,,,,-0.011810303,C7H8IO4-,282.9465,-0.053497314,,0.33703274,,,,0.26115286,,,,
C8H16IO3-,287.01401,,,,,,0.014007568,C7H10IO4-,284.9621,-0.037902832,,0.39238346,,,,0.43472037,,,,
C8H16IO4-,303.00891,,,0.73419702,,,0.0089111328,C7H10IO5-,300.957,-0.042999268,,0.31612462,,,,0.33279273,,,,
C8H16IO6-,334.99869,,,0.71186137,,,-0.0013122559,C7H10IO6-,316.9519,-0.048095703,,0.33625704,,,,0.12749188,,,,
C8H16IO6S-,366.97079,,,,,,-0.029205322,C7H12IO4-,286.97769,-0.02230835,,0.35960034,,,,0.22974542,,,,
C8H17INO3-,302.0249,,,,,,0.024902344,C7H12IO5-,302.9726,-0.027404785,,0.27322349,,,,0.13657275,,,,
C8H17I2O5-,446.91611,0.6647175,,,,,-0.083892822,C8F12H4IO-,470.91141,-0.088592529,,,0.37484893,,,,0.16022439,,,
C8H18IO3-,289.0296,,,2.6990352,,,0.029602051,C8F13H3IO2-,504.89691,-0.10308838,,,,,,,-0.51776278,,,
C8H18IO4-,305.02451,,,1.188566,,,0.024505615,C8F13H5INO2S-,552.8877,-0.11230469,,,0.42433563,,,,0.17070219,,,
C8H18IO5-,321.01941,,,1.7967378,,,0.01940918,C8F13H5INO4-,552.9054,-0.094604492,,,,,,,,,,
C9H8IN2O3-,318.95779,,,,,0.10332388,-0.042205811,C8F13H5IO-,490.9176,-0.082397461,,,0.0024149574,,,,-0.44241342,,,
C9H8I2O-,385.8663,0.36339325,,,,,-0.13369751,C8F14HI2O-,632.78931,-0.21069336,,,,,-0.46860906,,,,,
C9H11INO-,275.98831,,,,,1.5627211,-0.011688232,C8F14HO4-,426.965,-0.035003662,,,,,,,,,,
C9H12IO4-,310.97769,,,,,,-0.02230835,C8F14HO5-,442.9599,-0.040100098,,,,,,,,,,
C9H12IO5-,326.9726,,,,,,-0.027404785,C8F14HO6-,458.9548,-0.045196533,,,,,,,,,,
C9H12IO6-,342.9675,,,-0.80028456,,,-0.032501221,C8F14H3INO3-,553.89331,-0.10668945,,,-0.2845107,,,,0.032300163,,,
C9H13IN4O-,320.01321,,,,,1.5802789,0.013214111,C8F14H5IO4-,557.9007,-0.099304199,,,-0.05823034,,,,-0.33277142,,,
C9H13IN4O3-,352.00299,,,,,2.0745087,0.0029907227,C8F14H8IO4-,560.92407,-0.075927734,,,,,,,-0.77441043,,,
C9H14IO4-,312.99329,,,,,,-0.0067138672,C8F15HIO2-,540.87811,-0.12188721,,,,,,,0.20441496,,,
C9H14IO5-,328.98819,,,,,,-0.011810303,C8F15H2INO2-,555.88898,-0.11102295,,,-0.74345016,,,,-0.28008386,,,
C9H16IO3-,299.01401,,,,,,0.014007568,C8F15H6INO2-,559.92023,-0.079772949,,,-0.4554708,,,,-0.83133107,,,
C9H16IO4-,315.00891,,,-0.015786743,,,0.0089111328,C8F15H6INO3-,575.9151,-0.084899902,,,-0.16255647,,,,-0.25361744,,,
C9H17INO2-,298.03,,,,,0.65020883,0.029998779,C8F15H6IO3-,561.91199,-0.088012695,,,,,,,,,,
C9H17INO3-,314.0249,,,,,-0.70940226,0.024902344,C8F15H8INO4-,593.9256,-0.074401855,,,,,,,-0.72395557,,,
C9H18IO3-,301.0296,,,-0.84159136,,,0.029602051,C8F15H8INO5-,609.92047,-0.079528809,,,-0.28482711,,,,-0.22716638,,,
C9H20IO2-,287.05029,,,1.0974709,,,0.050292969,C8F17HO3S-,499.93741,-0.062591553,,,,,,,,,,
C9H20IO3-,303.0452,,,1.0187942,,,0.045196533,C8H10IO5-,312.957,-0.042999268,,0.34590924,,,,0.35746092,,,,
C9H20IO4-,319.0401,,,0.59653652,,,0.040100098,C8H10IO6-,328.9519,-0.048095703,,0.36492118,,,,0.13258065,,,,
C10F17H5IO-,590.91119,,,,2.2937958,,-0.088806152,C8H12IO4-,298.97769,-0.02230835,,0.30880159,,,,0.45712149,,,,
C10H10IN-,270.9856,,-0.24430998,,,,-0.014404297,C8H12IO5-,314.9726,-0.027404785,,0.27878872,,,,0.19780776,,,,
C10H14IO5-,340.98819,,,,,,-0.011810303,C8H14IO4-,300.99329,-0.0067138672,,0.17839898,,,,0.030596325,,,,
C10H14IO6-,356.98309,,,-0.54758233,,,-0.016906738,C8H14IO5-,316.98819,-0.011810303,,0.24709524,,,,0.19472483,,,,
C10H16IO4-,327.00891,,,,,,0.0089111328,C8H26IO5Si4-,440.98941,-0.0105896,,,,,-0.1278652,,,,,
C10H16IO5-,343.00381,,,,,,0.0038146973,C9F16HO4-,476.96179,-0.038208008,,,,,,,,,,
C10H16IO6-,358.99869,,,-0.71484751,,,-0.0013122559,C9F16HO5-,492.9567,-0.043304443,,,,,,,,,,
C10H18IN2O-,309.04599,,,,,2.2388284,0.04598999,C9F17HIO2-,590.87488,-0.12512207,,,,,,,0.092873894,,,
C10H18IO3-,313.0296,,,,,,0.029602051,C9F17HIO3-,606.86981,-0.13018799,,,,,,,0.15054585,,,
C10H18IO4-,329.02451,,,,,,0.024505615,C9H10IO5-,324.957,-0.042999268,,0.2427482,,,,0.31034449,,,,
C10H20IO3-,315.0452,,,-0.56156117,,,0.045196533,C9H14IO4-,312.99329,-0.0067138672,,0.095403865,,,,0.22670318,,,,
C10H21INO2-,314.06119,,,,,,0.061187744,C9H14IO5-,328.98819,-0.011810303,,0.39099067,,,,0.27100384,,,,
C10H23I2N2O-,440.9895,,,,,,-0.010498047,C9H16IO4-,315.00891,0.0089111328,,0.057544395,,,,-0.084349073,,,,
C10H32IO2-,311.14389,,,1.7977824,,,0.14389038,C10F10H2IO2-,470.89389,-0.10610962,,,,,,,0.046476152,,,
C10H32IO3-,327.13879,,,1.3727354,,,0.13879395,C10F18HO4-,526.95862,-0.041381836,,,,,,,,,,
C11H16IO4-,339.00891,,,,,,0.0089111328,C10F18HO5-,542.95349,-0.046508789,,,,,,,,,,
C11H16IO5-,355.00381,,,-0.58734065,,,0.0038146973,C10F18HO6-,558.94843,-0.051574707,,,,,,,,,,
C11H18IO4-,341.02451,,,-0.50243008,,,0.024505615,C10F19HIO2-,640.8717,-0.1282959,,,,,,,0.21337378,,,
C11H18IO5-,357.01941,,,-0.77493829,,,0.01940918,C10F19HIO3-,656.86658,-0.13342285,,,,,,,0.35185355,,,
C11H20IO3-,327.0452,,,,,,0.045196533,C10H12IO6-,354.9675,-0.032501221,,0.079179712,,,,0.11775947,,,,
C11H20IO4-,343.0401,,,-0.52685648,,,0.040100098,C10H14IO4-,324.99329,-0.0067138672,,0.13863647,,,,0.29215148,,,,
C11H23INO2-,328.07681,,,,,,0.076812744,C10H14IO6-,356.98309,-0.016906738,,0.15300514,,,,0.080399297,,,,
C12F21H5IO-,690.90479,,,,1.6827012,,-0.095214844,C10H16IO4-,327.00891,0.0089111328,,0.015505857,,,,0.20292692,,,,
C12H16IO5-,367.00381,,,,,,0.0038146973,C10H16IO5-,343.00381,0.0038146973,,0.074348748,,,,0.31166357,,,,
C12H20IO4-,355.0401,,,-0.10148258,,,0.040100098,C10H18IO4-,329.02451,0.024505615,,-0.015472296,,,,0.016975375,,,,
C12H20IO5-,371.035,,,-0.50669581,,,0.035003662,C10H32IO6Si5-,515.008,0.0079956055,,,,,,,,,,
C12H22IO3-,341.06079,,,,,,0.060791016,C11F20HO4-,576.95538,-0.044616699,,,,,,,,,,
C12H22IO4-,357.05569,,,,,,0.05569458,C11F20HO5-,592.95032,-0.049682617,,,,,,,,,,
C12H23INO3-,356.07169,,,,,-0.35144848,0.071685791,C11F21HIO2-,690.86853,-0.13146973,,,,,,,0.37221834,,,
C13H10IN2O3-,368.97339,,,,,,-0.026611328,C11F21HIO3-,706.8634,-0.13659668,,,,,,,0.4325389,,,
C13H20IO4-,367.0401,,,0.64520633,,,0.040100098,C11H16IO5-,355.00381,0.0038146973,,0.19742689,,,,0.12332517,,,,
C13H22IO4-,369.05569,,,-0.16520388,,,0.05569458,C11H18IO5-,357.01941,0.01940918,,-0.066708356,,,,-0.0048843478,,,,
C13H24IO3-,355.07639,,,,,,0.076385498,C11H20IO4-,343.0401,0.040100098,,-0.10995036,,,,-0.14156199,,,,
C13H25INO3-,370.08731,,,,,-0.13341966,0.087310791,C12F22HO4-,626.95221,-0.047790527,,,,,,,,,,
C13H27INO-,340.1131,,,,,0.83893603,0.11309814,C12F22HO5-,642.94708,-0.05291748,,,,,,,,,,
C14F22H8S2I-,784.87592,,,,2.774868,,-0.12408447,C12F23HIO2-,740.8653,-0.13470459,,,,,,,0.31072658,,,
C14F25H5IO-,790.89838,,,,1.5420182,,-0.10162354,C12F23HIO3-,756.86023,-0.13977051,,,,,,,0.41693741,,,
C14H21INO3-,378.05609,,,,,0.23915035,0.056091309,C12H12IO4-,346.97769,-0.02230835,,0.10052878,,,,0.84661913,,,,
C14H22IO5-,397.0506,,,0.28330836,,,0.050598145,C12H20IO4-,355.0401,0.040100098,,-0.22265022,,,,-0.051565867,,,,
C14H24IN2-,347.0979,,2.4970369,,,,0.097900391,C13F24HO4-,676.94897,-0.051025391,,,,,,,,,,
C14H24IO4-,383.07129,,,-0.021301812,,,0.071289062,C13F24HO5-,692.94391,-0.056091309,,,,,,,,,,
C14H30IN3O-,383.1427,,,,,,0.1427002,C13F25HIO2-,790.86212,-0.13787842,,,,,,,0.050287321,,,
C15F17H17N2SO2I,738.97803,,,,-0.1728023,,-0.021972656,C13H25INO3-,370.08731,0.087310791,,,,-0.47006476,,,,-0.58816803,,
C16F26H8OSI,868.89227,,,,2.320699,,-0.10772705,C14F26HO4-,726.9458,-0.054199219,,,,,,,,,,
C16F26H8SI,852.8974,,,,3.7348571,,-0.1026001,C14F26HO5-,742.94067,-0.059326172,,,,,,,,,,
C16F26H8S2I,884.86951,,,,4.0754199,,-0.13049316,C16H34IO6Si5-,589.02362,0.023620605,,,,,,,,,,
C17H24IO3-,403.07639,,,2.1497185,,,0.076385498,FHI-,146.91071,-0.089294434,,,,,2.3693824,,,,1.6998683,
C17H24IO4-,419.07129,,,1.7014174,,,0.071289062,FHNO2-,65.9991,-0.00090026855,,,,,,,,,,
C17H24IO5-,435.06619,,,1.1944629,,,0.066192627,FHNO3-,81.994003,-0.0059967041,,,,,,,,,,
C17H26IO5-,437.08179,,,0.72043878,,,0.081787109,FH2INO2-,193.91141,-0.088592529,,,,,,,,,1.5358449,
C18F30H8SI,952.89099,,,,2.479877,,-0.10900879,FH2INO3-,209.9063,-0.093704224,,,,,,,,,0.36514547,
C18F30H8S2I-,984.8631,,,,3.6534767,,-0.13690186,FH3IO-,164.9212,-0.078796387,,,,,,,,,1.7490311,
C20F34H8SI,1052.8846,,,,1.4790227,,-0.11535645,FH3IO2-,180.91611,-0.083892822,,,,,,,,,,
C20F34H8S2I-,1084.8567,,,,3.0586836,,-0.14331055,FH3IO2Si-,208.89301,-0.10699463,,,,,,,,,1.3650464,
C22F38H8S2I-,1184.8503,,,,2.3124375,,-0.1496582,FINO2-,191.8958,-0.10420227,,,,,,,,,0.27476329,
F4IO2-,234.88789,0.43552023,,,,,-0.11210632,FI2-,272.8074,-0.19259644,,,,,,,,,0.37132618,
HINO2-,173.9052,-0.049884927,,,,,-0.094802856,FO2S-,82.960297,-0.039703369,,,,,,,,,,
HINO3-,189.9001,,,,,,-0.099899292,F2H2I-,166.9169,-0.083099365,,,,,,,,,2.1036792,
HIO2-,159.9021,,,,,,-0.097900391,F2H2IO-,182.9118,-0.088195801,,,,,,,,,0.99370891,
HI2O-,270.81171,,,,,,-0.18829346,F2H2IOSi-,210.8887,-0.11129761,,,,,,,,,2.2460999,
H2IO-,144.91499,,,,,,-0.085006714,F2H2IO2Si-,226.88361,-0.11639404,,,,,2.9661858,,,,2.5870824,
H2IO2-,160.9099,,,,,,-0.090103149,F2H2IO5Si-,274.86829,-0.13171387,,,,,,,,,1.3855529,
H2I2O-,271.81949,-0.36014473,,,,,-0.18051147,F2H2NO2-,86.005302,0.0053024292,,,,,,,,,,
H4IO2-,162.92551,,,,,,-0.074493408,F2H2NO5Si-,161.9669,-0.033096313,,,,,,,,,,
H4IO3-,178.92039,,,,,,-0.079605103,F2I-,164.90131,-0.098693848,,,,,,,,,0.55144286,
I-,126.9045,,,,,,-0.095497131,F3HIOSi-,228.8793,-0.12069702,,,,,4.2383819,,,,3.4176483,
IC11F13H8NS-,559.92133,,,,3.6014879,,-0.078674316,F3HNO4Si-,163.9626,-0.037399292,,,,,,,,,,
IC11F13H10NOS-,577.93182,,,,3.589186,,-0.06817627,F3H2-,59.010799,0.010799408,,,,,,,,,,
IC11F13H11N2O3S-,624.9325,,,,0.021592027,,-0.067504883,F3H2O2Si-,118.9775,-0.022499084,,,,,,,,,,
IC16F26H8S2O-,900.86438,,,,2.5549605,,-0.13562012,F3OSi-,100.967,-0.032997131,,,,,,,,,,
IC16F26H8S3-,916.84161,,,,2.8639903,,-0.15838623,F3Si-,84.972099,-0.027900696,,,,,,,,,,
IC18F26H12S2-,912.9007,,,,3.5763493,,-0.099304199,F4HOSi-,120.9732,-0.026802063,,,,,,,,,,
IC18F30H8S3-,1016.8352,,,,2.4421577,,-0.16479492,F4HSi-,104.9783,-0.021697998,,,,,,,,,,
IC20F30H12S2-,1012.8943,,,,2.76406,,-0.10571289,F4H3-,79.016998,0.016998291,,,,,,,,,,
IN2-,154.91071,,,,,,-0.089294434,F5Si-,122.9689,-0.031097412,,,,,,,,,,
IO-,142.8994,,,,,,-0.1006012,HINO2-,173.9052,-0.094802856,,,,,2.6983812,,,,2.6808515,
I2-,253.80901,-0.55530185,,,,,-0.19099426,HINO3-,189.9001,-0.099899292,,,,,0.4666228,,,,0.14240834,
I2NO2-,299.80191,-0.56494093,,,,,-0.1980896,HIO2-,159.9021,-0.097900391,,,,,,,,,-0.15170652,
I2O-,269.80389,,,,,,-0.19610596,HI2O-,270.81171,-0.18829346,,,,,,,,,,
I3-,380.7135,,,,,,-0.28649902,HN2O4-,92.993599,-0.006401062,,,,,,,,,,
NO3-,61.987801,,,,,,-0.012199402,HN2O5-,108.9885,-0.011497498,,,,,,,,,,
,,,,,,,,HN2O6-,124.9834,-0.016601562,,,,,,,,,,
,,,,,,,,HO4S-,96.959503,-0.040496826,,,,,,,,,,
,,,,,,,,HO5S-,112.9544,-0.045600891,,,,,,,,,,
,,,,,,,,H2IO-,144.91499,-0.085006714,,,,,,,,,,
,,,,,,,,H2IO2-,160.9099,-0.090103149,,,,,,,,,,
,,,,,,,,H2IO4S-,224.8718,-0.12820435,,,,,,,,,2.8092215,
,,,,,,,,H2IO6-,224.8895,-0.11050415,,,,,,,,,1.3417491,
,,,,,,,,H2NO3-,64.003403,0.00340271,,,,,,,,,,
,,,,,,,,H2NO4-,79.998299,-0.001701355,,,,,,,,,,
,,,,,,,,H4IO2-,162.92551,-0.074493408,,,,,,,,,,
,,,,,,,,H4IO3-,178.92039,-0.079605103,,,,,,,,,,
,,,,,,,,H5O3-,53.023701,0.023700714,,,,,,,,,,
,,,,,,,,H7O4-,71.034203,0.034202576,,,,,,,,,,
,,,,,,,,I-,126.9045,-0.095497131,,,,,,,,,,
,,,,,,,,INOSi-,184.87939,-0.12060547,,,,,1.3962013,,,,1.9091986,
,,,,,,,,IN2-,154.91071,-0.089294434,,,,,,,,,,
,,,,,,,,IN2O4-,218.8903,-0.10969543,,,,,,,,,2.0779164,
,,,,,,,,IN2O5-,234.88519,-0.11480713,,,,,,,,,,
,,,,,,,,IO-,142.8994,-0.1006012,,,,,,,,,,
,,,,,,,,IO2S-,190.86639,-0.13360596,,,,,2.5153027,,,,1.9131713,
,,,,,,,,IO3S-,206.8613,-0.13870239,,,,,3.5839124,,,,3.1485777,
,,,,,,,,I2-,253.80901,-0.19099426,,,,,,,,,,
,,,,,,,,I2NO2-,299.80191,-0.1980896,,,,,,,,,2.5077221,
,,,,,,,,I2O-,269.80389,-0.19610596,,,,,,,,,,
,,,,,,,,I3-,380.7135,-0.28649902,,,,,,,,,-0.57609451,
,,,,,,,,NO2-,45.992901,-0.0070991516,,,,,,,,,,
,,,,,,,,NO3-,61.987801,-0.012199402,,,,,,,,,,
,,,,,,,,NO6S-,141.9446,-0.055404663,,,,,,,,,,
,,,,,,,,O2S-,63.961899,-0.038101196,,,,,,,,,,
,,,,,,,,O3S-,79.956802,-0.043197632,,,,,,,,,,
,,,,,,,,O4S-,95.951698,-0.048301697,,,,,,,,,,
,,,,,,,,O5S-,111.9466,-0.053398132,,,,,,,,,,