table of contents -- databank:msepub db … notes...table of contents -- databank:msepub db version...
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TABLE OF CONTENTS -- DATABANK:MSEPUB DB Version 1 V-8.3.9 24-Feb-12 DB Version 2 V-9.0.1 11-Jun-12 Species Changed from 1 to 2 Page ACENITRILE ACET2 ACETACID ACETATEION -------- 1 ACETONE ACETYLENE ACRYL2 ACRYLATEION -------- 1 ADGLUC ADGLUC.H2O -------- 1 ADIPATION ADIPICACID AG2O AG2S -------- 2 AGEL AGION AGNO3 AGNO3B -------- 2 AGOH AGOH2ION -------- 2 AL2CO33 AL2O3 AL2O5H5CL AL2S3 -------- 3 AL2SO43 AL2SO43.16H2O AL2SO43.6H2O ALCL3 -------- 3 ALCL3.6H2O ALEL ALF2ION -------- 3 ALF3 ALF3.3H2O ALF4ION ALF5ION -------- 4 ALF6ION ALFION ALION ALNAS.12H2O -------- 4 ALNO33 ALNO33.6H2O ALNO33.9H2O -------- 4 ALO2H2CL ALOH2ION ALOH3 ALOH4ION -------- 5 ALOHCL2 ALOHION ALOOH ALSIO3OH4ION -------- 5 ALSO42ION -------- 5 ALSO4ION AMIIIION AMIIIOH2ION AMIIIOH3 -------- 6 AMIIIOHION AMIVION AMIVOH4 -------- 6 AMO2ION AMO2OH2 AMVO2ION AMVO2OH -------- 7 ANTHRACEN AR ARAGONITE ARSEL -------- 7 ARSO2ION ARSO3ION ARSO4ION -------- 7 ARSOION AS2O3 AS2O5 AS2O5.1.7H2O -------- 8 AS2O5.4H2O AS2S3 AS2S4ION AS2S5 -------- 8 ASH ASH3 AUEL -------- 8 B2O3 B2OOH5ION B2S3 B3BPROPNAT -------- 9 B3O3OH4ION B4O5OH4ION B5O6OH6ION BAAC2 -------- 9 BAAC2.3H2O BAAC2.H2O BAACETION BACL2 -------- 9 BACL2.0.5H2O BACL2.1H2O BACL2.2H2O BACL21ME.1H2O -------- 10 BACL22MEOH BACO3 BAEL BAHCO32 -------- 10 BAION BAO BAOH2 -------- 10 BAOH2.1H2O BAOH2.3H2O BAOH2.8H2O BAOHCL -------- 11 BAOHCL.2H2O BAOHION BASO4 BATIO3 -------- 11 BDGLUC -------- 11 BEEL BEION BEL BENZENE -------- 12 BEO BEO2ION BEOH2 BF4ION -------- 12 BH4ION BH5 -------- 12 BI2S3 BIEL BIION BIOH2ION -------- 13 BIOH3 BIOH4ION BIOHION BIURET -------- 13 BIURET.1H2O BIURETNRT -------- 13 BIURETNRT.1H2O BMIMBF4 BMIMCF3SO3 BMIMION -------- 14 BMIMNCF3S2 BMIMPF6 BNZDIOL12 BOH3 -------- 14 BOH3CLION BOH3COOHION -------- 14 BOH3MEG BOH4ION BR2EL BR3ION -------- 15 BR5ION BRION BRO3ION BRO4ION -------- 15 BROION BU4NION -------- 15 BU4NOH BUTAC2 BUTACRYLAT BUTANION -------- 16 BUTANOLATION BUTENE1 BUTRALDEHY BUTYALCHOL -------- 16 BUTYLAMHION BUTYLAMINE -------- 16 BUTYRICAC BZDIOL12ION C10H22 C11H24 -------- 17 C12H26 C13H28 C14H30 C15H32 -------- 17 C16H34 C17H36 -------- 17 C18H38 C19H40 C20H42 C2H4 -------- 18 C2H6 C3H6 C3H8 C4H10 -------- 18 C5H12 C6H14 -------- 18 C6H5O3NAH2 C6H5OH C6H5OION C6H5ONA -------- 19 C6H5ONA.3H2O C7H16 C8H18 C9H20 -------- 19 CA2A2SO43 CA2B2O5 -------- 19 CA2B6O11 CA2B6O11.13H2O CA2B6O11.9H2O CA3CL6.1H2O -------- 20 CA3H2PRP4.H2O CA3PO42 CA5A2SO46.H2O CA5CLPO43 -------- 20 CA5FPO43 CA5OHPO43 CAA2SO42.1H2O -------- 20 CAACET2 CAACET2.05H2O CAACET2.1H2O CAACET2.2H2O -------- 21 CAACETION CAB2O4 CAB2O4.4H2O CAB2O4.6H2O -------- 21 CAB6O10 CAB6O10.4H2O CABUT2 -------- 21
CABUT2.1H2O CABUTION CACL2 CACL2.1H2O -------- 22 CACL2.2H2O CACL2.4H2O CACL2.6H2O CACL21MEOH -------- 22 CACL22MEOH CACL23DEG CACL24MEOH -------- 22 CACLMEOHION CACLNO32 CACLNO32.4H2O CACN2 -------- 23 CACO3 CADEG2 CAEL CAF2 -------- 23 CAFION CAH2PO42 CAH2PO42.1H2O -------- 23 CAH2PO4ION CAH2PRP4 CAH6SO44 CAHACET3 -------- 24 CAHACET3.1H2O CAHEPT2 CAHEPT2.1H2O CAHEPTION -------- 24 CAHPO4 CAHPO4.2H2O CAHSO42 -------- 24 CAION CAK4NO36 CAMEG2 CAMG2CL6 -------- 25 CAMG2CL6.12H2O CANC CANC.1H2O CANC.2H2O -------- 25 CANO32 -------- 25 CANO32.2H2O CANO32.3H2O CANO32.4H2O CAO -------- 26 CAOH2 CAOHCL CAOHCN.12H2O CAOHION -------- 26 CAPROLACTAM CAPROP2 CAPROP2.1H2O -------- 26 CAPROPION CARBNTET CARBON CASO4 -------- 27 CASO4.0.5H2O CASO4.2H2O CASO4MEOH CASRCL4.12H2O -------- 27 CATEG2 CAZRO3 CBUTEN -------- 27 CDEL CDHS2 CDHS3ION CDHS4ION -------- 28 CDHSION CDION CDOH2 CDOH3ION -------- 28 CDOH4ION CDOHION CE2O3 CE2S3 -------- 28 CEEL CEION CEIVION CEL -------- 29 CEO2 CEOH2ION CEOH3 CEOH4ION -------- 29 CEOHION CF3SO3ION CH3SO3ION -------- 29 CH4 CH4SO3 CH4SO3.1H2O CH4SO3.3H2O -------- 30 CHEXAMNHION CHEXNNOXIM CHLOROFM CHXANOL -------- 30 CITRAC CITRAC.1H2O -------- 30 CITRATION CL2 CLION CLO2 -------- 31 CLO2ION CLO3ION CLO4ION CLOION -------- 31 CNION CO -------- 31 CO2 CO3ION COAL COEL -------- 32 COIIACRYL2 COIIACRYLION COIIIION COIIIOH3 -------- 32 COIIIOHION COIIION -------- 32 COIIOH2 COIIOH3ION COIIOH4ION COIIOHION -------- 33 COIIS COIISO4 COIISO4.1H2O COIISO4.6H2O -------- 33 COIISO4.7H2O COKE COOHION CPRLCTM.H2O -------- 33 CPRLCTMHION CR2O7ION CR2S3 CR2SO4 -------- 34 CR2SO4.14H2O CR2SO4.16H2O CR3NO33.3H2O CR3NO33.9H2O -------- 34 CREL CRIIIACRYL2ION CRIIIACRYL3 -------- 34 CRIIIACRYLION CRIIICL2ION CRIIICL3 CRIIICL3.6H2O -------- 35 CRIIICLION CRIIIION CRIIINO33 CRIIINO3ION -------- 35 CRIIION CRIIOH2 CRO2ION -------- 35 CRO3 CRO4ION CROH3 CROHION -------- 36 CROION CRS CRSO4ION CRSO4OH -------- 36 CS2O CSEL CSION -------- 36 CSOH CSOH.1H2O CU2O CU2OH2CO3 -------- 37 CU3OH2CO32 CUACRYLATE2 CUACRYLATION CUCL2 -------- 37 CUCL2.2H2O CUCL2MHCL -------- 37 CUCL2MHCL2 CUCLION CUCLO42 CUCO3 -------- 38 CUCO32ION CUDEA2ION CUDEA3ION CUDEA4ION -------- 38 CUDEAION CUEL CUHCL3.3H2O -------- 38 CUHPAA2K CUI2S CUI2SHS2ION CUIHS -------- 39 CUIHS2ION CUIION CUIOH CUION -------- 39 CUM2OHION CUMENE CUNH32ION -------- 39 CUNH33ION CUNH34ION CUNH35ION CUNH3ION -------- 40 CUNO32 CUNO32.2.5H2O CUNO32.6H2O CUNO32.9H2O -------- 40 CUOH2 CUOH3ION -------- 40 CUOH4ION CUOHION CUPAA2KION CUS -------- 41 CUSHS2ION CUSHS3ION CUSHSION CUSO4 -------- 41 CUSO4.1H2O CUSO4.3H2O CUSO4.5H2O -------- 41 CYCLHEXAMN CYCLOHEXAN DCLMETHN DEAHNO3 -------- 42 DEG DEGCO2ION DEGHION DEGION -------- 42 DEXCO2H DEXCO2ION DEXH DEXH2ION -------- 42 DGXCO2ION DGXH DGXH2ION DIETHCARB -------- 43 DIETHYLAHION DIETHYLAMN DLMETHINN DMEA -------- 43 DMEAHION DMETHINNION DMEXH -------- 43 DMEXH2ION DMF DMIPA DMIPAHION -------- 44 DOCOSAN DOCTRIACON DYEL DYION -------- 44 DYOH2ION DYOH3 DYOH4ION DYOHION -------- 44 EMIMBF4 EMIMCF3SO3 EMIMION EMIMNCF3S2 -------- 45
EMIMPF6 ENAMN2 ENAMN2H2ION ENAMN2HION -------- 45 EREL ERION -------- 45 EROH2ION EROH3 EROH4ION EROHION -------- 46 ETAMINE ETAMINEHION ETBNZ ETHANOL -------- 46 ETHEGLYCOL ETHEGLYION -------- 46 ETHGLYHION ETOH2ION ETOION EUEL -------- 47 EUIIIION EUIIION EUIIOH2 EUOH2ION -------- 47 EUOH3 EUOH4ION EUOHION -------- 47 EY2O3 EYBEL EYBIIIION EYBIIION -------- 48 EYBIIOH2 EYBOH2ION EYBOH3 EYBOH4ION -------- 48 EYBOHION EYEL EYION EYOH2ION -------- 48 EYOH3 EYOH4ION EYOHION F2 -------- 49 FE2MOO43 FE2MOO43.8H2O FE2SO43 FE2SO43.6H2O -------- 49 FE2SO43.9H2O FE3PO42.8H2O FEACET2 -------- 49 FEACETION FECL3 FECL3.10H2O FECL3.2.5H2O -------- 50 FECL3.2H2O FECL3.3.5H2O FECL3.6H2O FECL3HCL -------- 50 FECR2O4 FEEL FEH2SO44.2H2O -------- 50 FEH2SO44.8H2O FEHSION FEIIACRYL2 FEIIACRYLION -------- 51 FEIIBR2 FEIIBR2.2H2O FEIIBR2.4H2O FEIIBR2.6H2O -------- 51 FEIIBR2.9H2O FEIICL2 FEIICL2.2H2O -------- 51 FEIICL2.4H2O FEIICL2.6H2O FEIICLION FEIICO3 -------- 52 FEIIH2PAAION FEIIHCO32 FEIIHCO3ION FEIIHPAA2K -------- 52 FEIII2O3 FEIII2OH2ION -------- 52 FEIIIACRYL2ION FEIIIACRYL3 FEIIIACRYLION FEIIIBR3 -------- 53 FEIIICL2ION FEIIICLION FEIIIION FEIIIO2ION -------- 53 FEIIIOH3 FEIIIOHION FEIIIOION -------- 53 FEIIION FEIIIPAA2K FEIIIPAAION FEIIIPAAOHION -------- 54 FEIIIPO4.2H2O FEIINH32ION FEIINH33ION FEIINH34ION -------- 54 FEIINH35ION FEIINH36ION FEIINH3ION FEIINO32 -------- 54 FEIINO32.6H2O FEIINO32.9H2O FEIIOH2 FEIIOHION -------- 55 FEIIPAA2KION FEIIS FEIIS2 FEIISO4 -------- 55 FEIISO4.1H2O FEIISO4.7H2O FEMOO4ION -------- 55 FENH4SO4 FENH4SO4.6H2O FENO33 FENO33.6H2O -------- 56 FENO33.9H2O FEO FEOOH FESHSION -------- 56 FEVO33 FEVO4 FION -------- 56 FORM2 FORMALDHYD FORMAMIDE GAEL -------- 57 GAION GAOH3 -------- 57 GDEL GDION GDOH2ION GDOH3 -------- 58 GDOH4ION GDOHION GEL.15.5H2O GLDIIIION -------- 58 GLDIIIOH3 GLDIIIOH4ION GLDIIIOH5ION GLDIION -------- 58 GLDIOH GLUCOS1ION GLUCOS2ION GLUCOS3ION -------- 59 GLUCOS4ION GLUCOSE GLYCOLACID GLYCOLATION -------- 59 H2 H2ACETION H2ASO4ION -------- 59 H2CITRATION H2CO3 H2COOHION H2CR2O7 -------- 60 H2CRO4 H2DMETHINNION H2FION H2LMETHINNION -------- 60 H2MNO4 H2MOO4 -------- 60 H2NICOTACDION H2O H2O2 H2P2O7ION -------- 61 H2P3O10ION H2PAA2000ION H2PBTCION H2PMLAION -------- 61 H2PO2ION H2PO3ION H2PO4ION -------- 61 H2S H2S2O3 H2S2O4 H2S2O6 -------- 62 H2S2O8 H2S5O6 H2SEO3 H2SEO4 -------- 62 H2SIO4ION H2SO3 H2SO4 -------- 62 H2SO5 H2TE H2TEIVO3 H2TEO4 -------- 63 H2TMELLITION H2VO4ION H2WO4 H3ASO3 -------- 63 H3ASO4 H3O2ION H3OION -------- 63 H3P2O7ION H3P3O10ION H3PAA2000ION H3PBTCION -------- 64 H3PO2 H3PO3 H3PO4 H3PO4.0.5H2O -------- 64 H3VO4 H4P2O7 -------- 64 H4P3O10ION H4PBTCION H4SIO4 H4TEO6ION -------- 65 H4W6O21CLION H5IO6 -------- 65 H5P3O10 H5TEO6ION H5W6O21NO3ION H6F6 -------- 66 H6TEO6 HACETTOA HACRYLATE HADIPATION -------- 66 HARSO3ION HASO2 HASO4ION -------- 66 HBO2 HBR HBRO HBRO3 -------- 67 HBRO4 HBZDIOL12ION HCF3SO3 HCITRATION -------- 67 HCL HCL.1H2O HCL.2H2O -------- 67 HCL.3H2O HCLO HCLO2 HCLO3 -------- 68 HCLO4 HCN HCO3ION HCOOH -------- 68 HCRO2 HCRO4ION -------- 68 HDMETHINN HDROXAMN HE HENEICOSAN -------- 69
HENTRIACNT HEPTANION HF HFEIICO32ION -------- 69 HFEIIIO2 HFEO2ION HG2ION -------- 69 HG2NO32 HG2NO32.2H2O HG2OH2 HG2OHION -------- 70 HGCL2 HGCL4ION HGEL HGION -------- 70 HGO HGOH2 HGOHION -------- 70 HGS HHDRAMION HHGO2ION HI -------- 71 HI5H2O4 HIO HIO3 HIODO4 -------- 71 HIPHTHTION HLMETHINN HMALATEDION -------- 71 HMALATELION HMNO4 HMOO4ION HMOO6ION -------- 72 HNBO3 HNCO HNCO3 HNCO3INERT -------- 72 HNCOINERT -------- 72 HNICOTACD HNO2 HNO3 HNO3SO32 -------- 73 HO2ION HOEL HOION HOOH2ION -------- 73 HOOH3 HOOH4ION HOOHION -------- 73 HOXALATION HP2O7ION HP3O10ION HPAA2000ION -------- 74 HPBO2ION HPBTCION HPEG1000 HPEG12000 -------- 74 HPEG1500 HPEG20000 -------- 74 HPEG600 HPEG6000 HPMLAION HPNOICACID -------- 75 HPO3ION HPO4ION HPROPANATE HPTCOSAN -------- 75 HREO4 HSEION HSEO3ION -------- 75 HSEO4ION HSIO3ION HSION HSNO2ION -------- 76 HSO3F HSO3ION HSO4ION HSO5ION -------- 76 HTAO3 HTCVIIO4 HTEION -------- 76 HTEIVO3ION HTMELLITION HTO HTPHTHTION -------- 77 HUIIIO2 HUIVO2ION HUIVO3ION HUO4ION -------- 77 HVO4ION HW6O21ION HWO4ION -------- 77 HXCOSAN HXTACONTAN HYDROSOD HYDSOD.2H2O -------- 78 HZNO2ION HZRO2ION HZRO3ION INEL -------- 78 INION INOH3 -------- 78 IOD2EL IOD3ION IODION IODO3ION -------- 79 IODO4ION IODOION IPENTAN IPHTHALAC -------- 79 IPHTHTION ISOBUTANE -------- 79 ISOBUTENE ISOSORB ISPROH2ION ISPROION -------- 80 ISPROPANOL K2ACET2.1H2O K2ACET2.3H2O K2CA5SO46 -------- 80 K2CA5SO46.H2O K2CASO42 -------- 80 K2CASO42.1H2O K2CO3 K2CO3.1.5H2O K2CO3.6H2O -------- 81 K2HPO4 K2HPO4.3H2O K2HPO4.6H2O K2NA2CO32 -------- 81 K2O K2SO4 K3NASO42 K3PO4 -------- 81 K3PO4.3H2O K3PO4.7H2O K4H2CO33 K4H2CO33.H2O -------- 82 KACET KACET1MEOH KBUT KCACL3 -------- 82 KCL KDEG -------- 82 KEL KF KF.2H2O KF.4H2O -------- 83 KH2PO4 KHCO3 KHEPT KHSO4 -------- 83 KION KMEG KMGCL3 -------- 83 KMGCL3.6H2O KNACO3 KNACO3.6H2O KNO3 -------- 84 KOH KOH.1H2O KOH.2H2O KOH.4H2O -------- 84 KPROP KPROP2ION KR -------- 84 KTEG LA2S3 LAEL LAION -------- 85 LAOH2ION LAOH3 LAOH4ION LAOHION -------- 85 LI2B4O7 LI2B4O7.3H2O LI2B8O13 LI2CO3 -------- 85 LI2O LI2SO4 LI2ZNCL4.2H2O LIACET -------- 86 LIACET.2H2O LIB3O5 LIB5O8 LIB5O8.5H2O -------- 86 LIBO2 LIBO2.8H2O LIBOH4 LIC4H7O4 -------- 86 LICACL3.5H2O LICL LICL.1H2O LICL.2H2O -------- 87 LICL.3H2O LICL.5H2O LICLO4 LICOOH -------- 87 LICOOH.1H2O LIDEG LIEL LIF -------- 87 LIHCO3 LIION LIMEG LIMGCL3 -------- 88 LIMGCL3.7H2O LINO3 LIOH LIOH.1H2O -------- 88 LIPF6 -------- 88 LITEG LMETHINNION LUEL LUION -------- 89 LUOH2ION LUOH3 LUOH4ION LUOHION -------- 89 M4PNTON2 MAGNETITE MALATEDION MALATELION -------- 89 MALICAC MALICACD MALICACL MDEXH -------- 90 MDEXH2ION MEAMINE MEAMINEHION MEGCO2ION -------- 90 MEOH2CL MEOH2ION -------- 90 MEOION MEPYROLIDN METHANOL MEXCO2ION -------- 91 MEXH MEXH2ION MG2B6O11 MG2BO11.15H2O -------- 91 MGB2O4 MGB2O4.3H2O -------- 91 MGB6O10 MGBO10.7.5H2O MGCA2CL6 MGCA2CL6.6H2O -------- 92 MGCL2 MGCL2.12H2O MGCL2.2H2O MGCL2.4H2O -------- 92
MGCL2.6H2O MGCL2.8H2O MGCL22DEG -------- 92 MGCL22ME.4H2O MGCL26MEOH MGCLMEOHION MGCLO42 -------- 93 MGCLO42.8H2O MGCLOH MGCO3 MGDEG2 -------- 93 MGEL MGF2 MGFION -------- 93 MGH6SO44 MGHCL3.7H2O MGHSO42.2H2O MGION -------- 94 MGMEG2 MGNO32 MGNO32.2H2O MGNO32.6H2O -------- 94 MGNO32.9H2O MGO MGOH2 -------- 94 MGOHION MGSO4 MGSO4.12H2O MGSO4.1H2O -------- 95 MGSO4.4H2O MGSO4.5H2O MGSO4.6H2O MGSO4.7H2O -------- 95 MGSO41MEOH MGTEG2 MNEL -------- 95 MNH2SO42 MNH2SO42.1H2O MNH6SO44 MNION -------- 96 MNO4ION MNOH2 MNOH3ION MNOH4ION -------- 96 MNOHION MNS MNSO4 -------- 96 MNSO4.1H2O MNSO4.5H2O MNSO4.7H2O MNVIIO4ION -------- 97 MOCL3 MOCLION MOEL MOION -------- 97 MOO2SO4.1H2O MOO3 MOO3.1H2O -------- 97 MOO3.2H2O MOO4ION MOO6ION MOOH2ION -------- 98 MOOH3 MOOHION MOPA MOPAHION -------- 98 MORPHCO2ION MORPHHION -------- 98 MORPHLN26ME MORPHOLN MORPHOLN26ION MORPHOLNHCL -------- 99 MORPHOLNHNO3 MOS3 MXYLENE N2 -------- 99 N2H4 N2H5ION -------- 99 N2O N2O4 N2O5 NA2ADIPATE -------- 100 NA2B10O.10H2O NA2B10O.2H2O NA2B10O16 NA2B2O4 -------- 100 NA2B2O4.1H2O NA2B2O4.4H2O NA2B2O4.8H2O NA2B4O7 -------- 100 NA2B4O7.10H2O NA2B4O7.2H2O NA2B4O7.4H2O NA2B4O7.5H2O -------- 101 NA2BO2CL.2H2O NA2C2O4 NA2CA5SO4 NA2CA5SO4.3H2O -------- 101 NA2CASO42 NA2CO3 NA2CO3.10H2O -------- 101 NA2CO3.1H2O NA2CO3.7H2O NA2CTRTION NA2HCITR -------- 102 NA2HPO4 NA2HPO4.12H2O NA2HPO4.2H2O NA2HPO4.7H2O -------- 102 NA2HPO4.8H2O NA2IPHTHT NA2MALATE -------- 102 NA2MGCO32 NA2MO2O7 NA2MO2O7.6H2O NA2MO3O10 -------- 103 NA2MO3O10.7H2O -------- 103 NA2MO4O13 NA2MOO4 NA2MOO4.10H2O NA2MOO4.2H2O -------- 104 NA2NO2OH -------- 104 NA2NO3OH NA2O NA2PUO5H3.2H2O NA2S -------- 105 NA2S.0.5H2O NA2S.5H2O NA2S.9H2O NA2S2O3 -------- 105 NA2S2O3.2H2O NA2S2O3.5H2O -------- 105 NA2SIO3 NA2SIO3.5H2O NA2SIO3.9H2O NA2SO3 -------- 106 NA2SO3.7H2O NA2SO4 NA2SO4.10H2O NA2SO4M -------- 106 NA2TI3O7 -------- 106 NA2TIO3 NA2TPHTHT NA3CITR NA3CITR.2H2O -------- 107 NA3CITR.5.5H2O NA3H3PO42 NA3HCO32 NA3HCO32.2H2O -------- 107 NA3HCOOH4 NA3HSIO4.5H2O -------- 107 NA3HSO42 NA3NO3OH2 NA3NO3SO4 NA3NO3SO4.H2O -------- 108 NA3OHSO4 NA3PO4 NA3PO4.1H2O -------- 108 NA3PO4.6H2O NA3PO4.8H2O NA3SO4F NA4B102O.7H2O -------- 109 NA4B10O.5H2O NA4B2O5.1H2O NA4CASO43 NA4CASO43.2H2O -------- 109 NA4P2O7 NA5H3CO34 NA5P3O10 -------- 109 NA6MO7O24 NA6SO42CO3 NA7MO7O24OH NA8OH2SO43 -------- 110 NAACET NAACET.3H2O NAACETMEOH NAALCO3OH2 -------- 110 NAALO2 -------- 110 NAALO2.2.5H2O NAALOH4 NABH4 NABH4.2H2O -------- 111 NABO2 NABOH4 NABR -------- 111 NACF3SO3 NACL NACL.2H2O NACLGLUC2 -------- 112 NACLGLUC2.H2O NACLO4 NACLO4.1H2O NACLO4.2H2O -------- 112 NACN -------- 112 NACN.2H2O NACOOH NACOOH.2H2O NACOOH.3H2O -------- 113 NACOOHMEOH NACTRTION NADEG NAEL -------- 113 NAF NAFEO2 -------- 113 NAFEPO4 NAFPO4 NAFPO4.19H2O NAGLYCOL2ION -------- 114 NAGLYCOLAT NAH2CITR NAH2COOH3 NAH2PO4 -------- 114 NAH2PO4.1H2O NAH2PO4.2H2O NAH3F4 -------- 114 NAH3SO42 NAH3SO42.1H2O NAH4B5O10 NAH4F5 -------- 115 NAH5PO42 NAH5SO43 NAHADIPATE NAHC2O4 -------- 115 NAHC2O4.H2O NAHCO3 -------- 115 NAHCOOH2 NAHF2 NAHMALATE NAHPO43.2H2O -------- 116 NAHS NAHSO4 NAHSO4.1H2O NAION -------- 116 NAKNO32 NAMEG -------- 116 NANICOT NANICOT.05H2O NANICOT.15H2O NANO2 -------- 117
NANO2.0.5H2O NANO3 NAOH -------- 117 NAOH.1H2O NAOH.2H2O NAOH.3.5H2O NAOH.4H2O -------- 118 NAOH.5H2O NAOH.7H2O -------- 118 NAOHMOO36 NAOHMOO36.5H2O NAPHOH NAPHOH.12H2O -------- 119 NAPHTHALEN NAPUVO2OH2 NASGEL NATEG -------- 119 NB2O5 NBEL -------- 119 NBO3ION NCF3SO22ION NDEL NDION -------- 120 NE NEM NEMHION NEOPENTANE -------- 120 NH2CO2ION NH2SO3ION NH3 -------- 120 NH3OH2SO4 NH3SO3 NH42CO3 NH42CO3.1H2O -------- 121 NH42MO2O7 NH42MOO4 NH42S2O3 NH42SO4 -------- 121 NH43HSO42 NH43NO3SO4 NH44NO3SO4 NH45NO3SO4 -------- 122 NH46MO7.4H2O NH46MO8.4H2O NH4CL NH4CLB -------- 122 NH4CO2NH2 NH4F NH4F.H2O NH4H2NO33 -------- 123 NH4H3SO42 NH4HCO3 NH4HF2 NH4HMOO4 -------- 123 NH4HNO32 NH4HNO3SO4 NH4HS NH4HSO4 -------- 124 NH4ION NH4NISO4 NH4NISO4.6H2O NH4NO3 -------- 124 NH4OCN NH4OH -------- 124 NH4SO3NH2 NH4VO3 NI2FEBO5 NI2OHION -------- 125 NI4OH4ION NIACRYLATE2 NIACRYLATION NICL2 -------- 125 NICL2.2H2O NICL2.4H2O NICL2.6H2O -------- 125 NICL2.7H2O NICLION NICLO42 NICOTACDION -------- 126 NICOTHCL NICR2O4 NIEL NIFE2O4 -------- 126 NIH2S2 NIHS2ION NIHSION -------- 126 NIION NIMOO4 NIMORPH2ION NIMORPHION -------- 127 NINH32ION NINH33ION NINH34ION NINH35ION -------- 127 NINH36ION -------- 127 NINH3ION NINO32 NINO32.2H2O NINO32.4H2O -------- 128 NINO32.6H2O NINO32.9H2O NINO3ION NIO -------- 128 NIOH2 NIOH2HPO4ION NIOH3H2PO4ION NIOH3ION -------- 128 NIOH4ION NIOHION NIS NIS2 -------- 129 NIS2ION NISO4 NISO4.1H2O NISO4.6H2O -------- 129 NISO4.7H2O NISO4NH35 NISO4NH35.1H2O -------- 129 NISO4NH35.3H2O NITIO3 NMM NMMHION -------- 130 NNM2ACEAMD NO NO2 NO2ION -------- 130 NO3ION NONACOSAN -------- 130 NPIIIION NPIIIOH3 NPIIIOHION NPIVION -------- 131 NPIVOH2ION NPIVOH3ION NPIVOH4 NPIVOH5ION -------- 131 NPIVOHION NPO22OH2ION NPO23OH5ION NPO2ION -------- 131 NPO2OH2 -------- 131 NPO2OHION NPVO2ION NPVO2OH O2 -------- 132 OCNION OCP OCTACOSAN OHION -------- 132 OTION OXALAC OXALAC.2H2O -------- 132 OXALACB OXALATION OXIRANE OXIRANE.7H2O -------- 133 OXYLENE OZONE P2O5 P2O7ION -------- 133 P3O10ION P4EL P4O10 -------- 133 PAA PAA2000ION PB2OSO4 PB3CO32OH2 -------- 134 PB3O4 PB5CO33OH4 PBCL2 PBCL3ION -------- 134 PBCL4ION PBCLION -------- 134 PBCO3 PBCO32ION PBEL PBHS2 -------- 135 PBION PBIVION PBNO32 PBO -------- 135 PBO2 PBOH2 PBOHION -------- 135 PBOR PBS PBSIO3 PBSO4 -------- 136 PBTC PBTCION PBTIO3 PDEL -------- 136 PDIIION PDIIOH2 PDIIOHION -------- 136 PDS PEG600ION PEGL600ION PEL -------- 137 PENTCOSAN PENTTRIACT PF5 PF6ION -------- 137 PHENANTHR PMLA PMLAION -------- 137 PO4ION PR1OH2ION PR1OION PREL -------- 138 PRION PROH2ION PROH3 PROH4ION -------- 138 PROHION PROPAC2 PROPAMHION PROPANATEION -------- 138 PROPANOL1 PROPYLAMN PRPLNCARB PRPLNGLY12 -------- 139 PRPLNGLYHION PRPLNGLYION PTEL PTIIION -------- 139 PTIIOH2 PTIIOHION -------- 139 PTIVION PTOH4 PTS PU2O3 -------- 140 PU2O7 PU2O7C.6H2O PU2O7H.6H2O PUEL -------- 140 PUIIIION PUIIIOH2ION PUIIIOH3 PUIIIOHION -------- 140 PUIVION PUIVMOO4OH2 PUIVMOO4OHION PUIVNO34 -------- 141 PUIVO2 PUIVOH2ION PUIVOH3ION PUIVOH4 -------- 141 PUIVOH5ION PUIVOH6ION -------- 141
PUIVOHION PUMOO42 PUMOO42.2H2O PUNO34.5H2O -------- 142 PUO2HNO33.3H2O PUO2ION PUO2NO32 PUO2NO32.3H2O -------- 142 PUO2NO32.5H2O PUO2OH2 PUO2OH2.H2O PUO2OH3ION -------- 142 PUO2OHION PUOHNO33.5H2O PUVO2ION PUVO2OH -------- 143 PUVO2OH2ION PUVO2OH3ION PUVO2OH4ION PXYLENE -------- 143 PZT30 PZT60 -------- 143 PZT70 PZT75 PZTV QUARTZ -------- 144 RAEL RAION RAO RAOH2 -------- 144 RAOHION RAS RB2O RBEL -------- 144 RBION RBOH REEL REO4ION -------- 145 RH2O3 RHEL RHIIIION RHIIIOH2ION -------- 145 RHIIIOH3 RHIIIOHION RHIIION RHIIOH2 -------- 145 RHIIOHION RN RUEL RUIIIION -------- 146 RUIIIOH2ION RUIIIOH3 RUIIIOHION RUIIION -------- 146 RUIIOH2 RUIIOHION RUTILE S2ION -------- 146 S2O3ION -------- 146 S2O4ION S2O6ION S2O8ION S3ION -------- 147 S4ION S5ION S5O6ION SB2O3 -------- 147 SB2O5 SB2S3 SBCL3 -------- 147 SBEL SBIIIION SBOH2ION SBOH3 -------- 148 SBOH4ION SBOH5 SCEL SCION -------- 148 SCOH3 SECBUAHION SECBUTYAMN SEEL -------- 148 SEH2 SEION SEO2 SEO3ION -------- 149 SEO4ION SIEL SIHP SIO2 -------- 149 SION -------- 149 SMEL SMIIIION SMIIION SMIIOH2 -------- 150 SMOH2ION SMOH3 SMOH4ION SMOHION -------- 150 SNCH3SO32 SNCH3SO3ION SNCL2 SNCL3ION -------- 150 SNCL4ION SNCLION SNEL SNION -------- 151 SNIVCL2ION SNIVCL3ION SNIVCL4 SNIVCL4.5H2O -------- 151 SNIVCLION SNIVION SNIVOH2ION SNIVOH3ION -------- 151 SNIVOH4 SNIVOH5ION SNIVOHION SNO -------- 152 SNO2 SNOH2 SNOHION SO2 -------- 152 SO3 SO3FION SO3ION -------- 152 SO4ION SORBITAN SORBITION SORBITOL -------- 153 SRCL2 SRCL2.1H2O SRCL2.2H2O SRCL2.6H2O -------- 153 SRCO3 SREL SRION -------- 153 SRO SROH2 SROHION SRSO4 -------- 154 SULFUREL T2O T3OION TA2O5 -------- 154 TAEL TAO3ION TB2O3 TBEL -------- 154 TBFION TBION TBOH2ION TBOH3 -------- 155 TBOH4ION TBOHION TBUTEN TCEL -------- 155 TCIVO2 TCIVO2.2H2O TCIVOION TCIVOOH2 -------- 155 TCIVOOH22 TCIVOOH3ION TCIVOOHION TCVII2O7 -------- 156 TCVIIO4ION TEEL TEG TEGCO2ION -------- 156 TEGHION TEGION TEION TEIVO3ION -------- 156 TEIVOH3ION TEO2 TERPHTHAAC TETRTRIACT -------- 157 TH2OH2ION THEL THION THO2 -------- 157 THOH2ION THOH3ION THOH4 THOHION -------- 157 THS2 TI2O3 TIEL TIIIIION -------- 158 TIIIIOH2ION TIIIIOH3 TIIIIOHION TIIVCL2OH2 -------- 158 TIIVCL3OH2ION TIIVCL4 TIIVCL4OH2ION TIIVCLOH2ION -------- 158 TIIVION TIIVNBUT4 TIIVOH2ION TIIVOH3ION -------- 159 TIIVOH4 TIIVOH5ION TIIVOH6ION TIIVOHION -------- 159 TLEL TLIIIION TLIIIOH3 -------- 159 TLION TLNO3 TLOH TM2O3 -------- 160 TMEL TMELLANHYD TMELLITAC TMELLITION -------- 160 TMION TMOH2ION TMOH3 -------- 160 TMOH4ION TMOHION TOLUENE TOSYLATEION -------- 161 TOSYLIC.1H2O TOSYLIC.4H2O TOSYLICAC TPHTHTION -------- 161 TRICONTAN TRICOSAN TRIEAMINE -------- 161 TRIMEAMHION TRIMEAMINE TRIOCTYLAM TTACONT -------- 162 TTCOSAN UEL UIIIION UIIIO2ION -------- 162 UIIIOH3 UIIIOHION UIIIOION UIVCLION -------- 162 UIVION UIVO2 UIVOCO33ION UIVOH4 -------- 163 UIVOHION UIVOION UO2CO3 UO2CO32ION -------- 163 UO2CO33ION UO2H2O2ION -------- 163 UO2H3O2ION UO2HMOO4NO3 UO2HO2ION UO2ION -------- 164 UO2MOO4 UO2MOO4.2H2O UO2NO32 UO2NO32.2H2O -------- 164 UO2NO32.3H2O UO2NO32.6H2O -------- 164
UO2NO3ION UO2OH2 UO2OH2.1H2O UO2OHION -------- 165 UO3 UO3H2O2 UO3MOO32.2H2O UO4 -------- 165 UO4.4H2O UO4ION -------- 165 UREA UREAINERT UREAINERTNH3 UREANH3 -------- 166 UVO2ION UVO2OH UVO3ION V2O3 -------- 166 V2O4 V2O5 -------- 166 V2S3 VEL VIIIION VIIIOH3 -------- 167 VIIIOHION VIIIOION VO2 VO2ION -------- 167 VO2OH VO4ION VOION -------- 167 VOOH2 VOOH3 VOOH3ION VOOHION -------- 168 VOSO4 VOSO4.1.5H2O VOSO4.3H2O VOSO4.5H2O -------- 168 VOSO4.6H2O VOSO4H.3H2O WEL -------- 168 WO3 WO4ION XE ZEOLA.12H2O -------- 169 ZEOLITEA ZN2HCL5.2H2O ZN6CL2O5 ZNCL2 -------- 169 ZNCL2.1.5H2O ZNCL2.1H2O -------- 169 ZNCL2.2.5H2O ZNCL2.3H2O ZNCL2.4H2O ZNCL4ION -------- 170 ZNCLO42 ZNEL ZNFE2O4 ZNION -------- 170 ZNNO32 ZNNO32.1H2O ZNNO32.2H2O ZNNO32.4H2O -------- 170 ZNNO32.6H2O ZNNO32.9H2O ZNO ZNO2ION -------- 171 ZNOH2 ZNOHION ZNPAA2KION -------- 171 ZNS ZNSO4 ZNSO4.1H2O ZNSO4.6H2O -------- 172 ZNSO4.7H2O ZREL ZRH2O2ION ZRION -------- 172 ZRMO2O7OHION ZRMOOH.2H2O -------- 172 ZRNO34 ZRO2 ZROCLION ZROH4 -------- 173 ZROHION ZROION ZRONO32 ZRONO32.1H2O -------- 173 ZRONO32.2H2O ZRONO32.5H2O ZRONO3ION -------- 173 ZRS2 -------- 174 Species Removed from 1 to 2 Removed species -------- 175 New Species from 1 to 2 New species -------- 176
1 2 Page 1 | ACENITRILE -------------------------------------------------------------------- | |ASID ACENTL |ASNM C2H3N | ACET2 ------------------------------------------------------------------------- | STOI 2 2 0 0 0 0 0 0 0 0 |STOI 2 2 0 0 0 0 0 0 0 0. |ASID ACET2 | ACETACID ---------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID ACETACID |ASNM C2H4O2-1 |ASID ACETAC-S | ACETATEION -------------------------------------------------------------------- | |ASID ACET- |ASNM CH3COO- | ACETONE ----------------------------------------------------------------------- | |ASID ACETONE |ASNM C3H6O-1 | ACETYLENE --------------------------------------------------------------------- | |ASID ACETYLN |ASNM C2H2 |ASID ACETYE-S | ACRYL2 ------------------------------------------------------------------------ | |ASID ACRYL2 | ACRYLATEION ------------------------------------------------------------------- | |ASID ACRYL- | ADGLUC ------------------------------------------------------------------------ | STOI 1 4 0 0 0 0 0 0 0 0 |STOI 1 4 0 0 0 0 0 0 0 0. |ASID ADGLUC |ASID ADGLUC-S | ADGLUC.H2O -------------------------------------------------------------------- | STOI 1 1 6 0 0 0 0 0 0 0 |STOI 1 1 6 0 0 0 0 0 0 0. |ASID ADGLUCW1
1 2 Page 2 | ADIPATION --------------------------------------------------------------------- | |ASID ADIPAT-2 | ADIPICACID -------------------------------------------------------------------- | |ASID ADIPICAC |ASNM C6H10O4-D1 |ASID ADICAC-S | AG2O -------------------------------------------------------------------------- | |ASID AG2O-S | AG2S -------------------------------------------------------------------------- | |ASID AG2S-S | AGEL -------------------------------------------------------------------------- | |ASID AGEL-S |ASNM AG | AGION ------------------------------------------------------------------------- | |ASID AG+ |ASNM AG+ | AGNO3 ------------------------------------------------------------------------- | |ASID AGNO3 |ASNM AGNO3 |ASID AGNO3-S | AGNO3B ------------------------------------------------------------------------ | |ASID AGNO3B-S | AGOH -------------------------------------------------------------------------- | |ASID AGOH |ASNM AGOH | AGOH2ION ---------------------------------------------------------------------- | |ASID AGOH2- |ASNM AG(OH)2-
1 2 Page 3 | AL2CO33 ----------------------------------------------------------------------- | STOI 2 3 9 0 0 0 0 0 0 0 |STOI 2 3 9 0 0 0 0 0 0 0. |ASID AL2CO33 | AL2O3 ------------------------------------------------------------------------- | |ASID AL2O3 | AL2O5H5CL --------------------------------------------------------------------- | STOI 2 5 5 1 0 0 0 0 0 0 |STOI 2 5 5 1 0 0 0 0 0 0. |ASID ALOHCL-S | AL2S3 ------------------------------------------------------------------------- | |ASID AL2S3-S | AL2SO43 ----------------------------------------------------------------------- | |ASID AL2SO4-S |ASNM AL2(SO4)3 | AL2SO43.16H2O ----------------------------------------------------------------- | |ASID AL2SOW16 | AL2SO43.6H2O ------------------------------------------------------------------ | |ASID AL2SO4W6 | ALCL3 ------------------------------------------------------------------------- | |ASID ALCL3 |ASNM ALCL3 | ALCL3.6H2O -------------------------------------------------------------------- | |ASID ALCL3W6 | ALEL -------------------------------------------------------------------------- | |ASID ALEL-S |ASNM AL | ALF2ION ----------------------------------------------------------------------- | |ASID ALF2+ |ASNM ALF2+
1 2 Page 4 | ALF3 -------------------------------------------------------------------------- | |ASID ALF3 |ASNM ALF3 | ALF3.3H2O --------------------------------------------------------------------- | |ASID ALF3W3 | ALF4ION ----------------------------------------------------------------------- | |ASID ALF4- |ASNM ALF4- | ALF5ION ----------------------------------------------------------------------- | |ASID ALF5-2 |ASNM ALF5-2 | ALF6ION ----------------------------------------------------------------------- | |ASID ALF6-3 |ASNM ALF6-3 | ALFION ------------------------------------------------------------------------ | |ASID ALF+2 |ASNM ALF+2 | ALION ------------------------------------------------------------------------- | |ASID AL+3 |ASNM AL+3 | ALNAS.12H2O ------------------------------------------------------------------- | STOI 1 1 20 2 24 0 0 0 0 0 |STOI 1 1 20 2 24 0 0 0 0 0. |ASID ALNASW12 | ALNO33 ------------------------------------------------------------------------ | |ASID ALNO33IN | ALNO33.6H2O ------------------------------------------------------------------- | |ASID ALNO33W6 | ALNO33.9H2O ------------------------------------------------------------------- | |ASID ALNO33W9
1 2 Page 5 | ALO2H2CL ---------------------------------------------------------------------- | STOI 1 2 2 1 0 0 0 0 0 0 |STOI 1 2 2 1 0 0 0 0 0 0. |ASID ALO2H2CL |ASID ALOCL-S | ALOH2ION ---------------------------------------------------------------------- | |ASID ALOH2+ | ALOH3 ------------------------------------------------------------------------- | |ASID ALOH3 |ASID ALOH3-S |ASNM AL(OH)3-A | ALOH4ION ---------------------------------------------------------------------- | |ASID ALOH4- |ASNM AL(OH)4- | ALOHCL2 ----------------------------------------------------------------------- | STOI 1 1 1 2 0 0 0 0 0 0 |STOI 1 1 1 2 0 0 0 0 0 0. |ASID ALOHCL2 | ALOHION ----------------------------------------------------------------------- | STOI 1 1 1 0 0 0 0 0 0 0 |STOI 1 1 1 0 0 0 0 0 0 0. |ASID ALOH+2 |ASNM ALOH+2 | ALOOH ------------------------------------------------------------------------- | |ASID ALOOH-S | ALSIO3OH4ION ------------------------------------------------------------------ | GREF -2.249290E+06 |GREF -2.250941E+06 HREF -2.605430E+06 |HREF -2.622033E+06 SREF 27.254431 |SREF -22.915001 CPRE -2281.699951 |CPRE -243.384003 HKF 0 0 0 0 -97.688766 0 0 |HKF 0 0 0 0 -58.17017 0 0 |ASID ALSIO3-3 | ALSO42ION --------------------------------------------------------------------- | |ASID ALSO42- |ASNM AL(SO4)2-
1 2 Page 6 | ALSO4ION ---------------------------------------------------------------------- | |ASID ALSO4+ |ASNM ALSO4+ | AMIIIION ---------------------------------------------------------------------- | GREF -5.991000E+05 |GREF -5.994178E+05 HREF -6.167000E+05 |HREF -6.168722E+05 VREF -3.958560E-05 |VREF -3.958600E-05 HKF -0.285738 -1475.839966 11.5507 |HKF 0 0 0 0 15.5 0 0 + -21688.900391 15.5326 -73303.2031|5 2352 |ASID AMIII+3 | AMIIIOH2ION ------------------------------------------------------------------- | GREF -9.768850E+05 |GREF -9.772025E+05 HREF -1.110000E+06 |HREF -1.110689E+06 HKF 7.66091 -22842.800781 |HKF 0 0 0 0 6.6213 0 0 + -749.801025 2.774350E+06 6.62129 |76421 362798 |ASID AMOH2+ | AMIIIOH3 ---------------------------------------------------------------------- | GREF -1.159220E+06 |GREF -1.161130E+06 HREF -1.380000E+06 |HREF -1.382302E+06 SREF -183 |SREF -182.999802 HKF -4.40597 19589.699219 421.800995 |HKF 0 0 0 0 2.25596 0 0 + -1.816500E+06 2.25596 317658 7597|3 GREF -1.168000E+06 |GREF -1.216291E+06 HREF -1.272000E+06 |HREF -1.320588E+06 |ASID AMIIIOH3 |ASID AMOH3-S | AMIIIOHION -------------------------------------------------------------------- | GREF -7.905600E+05 |GREF -7.908777E+05 HREF -8.448000E+05 |HREF -8.447036E+05 HKF 2.8746 -8761.639648 -281.139008 |HKF 0 0 0 0 12.624 0 0 + 1.063120E+06 12.624 234877 324713| |ASID AMOH+2 | AMIVION ----------------------------------------------------------------------- | |ASID AMIV+4 | AMIVOH4 ----------------------------------------------------------------------- | |ASID AMIVOH4
1 2 Page 7 | AMO2ION ----------------------------------------------------------------------- | |ASID AMO2+2 | AMO2OH2 ----------------------------------------------------------------------- | |ASID AMO2OH2 | AMVO2ION ---------------------------------------------------------------------- | |ASID AMVO2+ | AMVO2OH ----------------------------------------------------------------------- | |ASID AMVO2OH | ANTHRACEN --------------------------------------------------------------------- | |ASID ANTHRACN |ASNM C14H10-1 |ASID ANTHRA-S | AR ---------------------------------------------------------------------------- | |ASID AR |ASNM AR | ARAGONITE --------------------------------------------------------------------- | |ASID ARAGON-S | ARSEL ------------------------------------------------------------------------- | |ASID ARSEL-S |ASNM AS | ARSO2ION ---------------------------------------------------------------------- | |ASID ARSO2- |ASNM ASO2- | ARSO3ION ---------------------------------------------------------------------- | |ASID ARSO3-3 | ARSO4ION ---------------------------------------------------------------------- | |ASID ARSO4-3 |ASNM ASO4-3
1 2 Page 8 | ARSOION ----------------------------------------------------------------------- | |ASID ARSO+ | AS2O3 ------------------------------------------------------------------------- | |ASID AS2O3-S | AS2O5 ------------------------------------------------------------------------- | |ASID AS2O5-S | AS2O5.1.7H2O ------------------------------------------------------------------ | |ASID AS2O5W17 | AS2O5.4H2O -------------------------------------------------------------------- | |ASID AS2O5W4 | AS2S3 ------------------------------------------------------------------------- | |ASID AS2S3-S | AS2S4ION ---------------------------------------------------------------------- | |ASID AS2S4-2 | AS2S5 ------------------------------------------------------------------------- | |ASID AS2S5-S | ASH --------------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID ASH-S | ASH3 -------------------------------------------------------------------------- | STOI 1 3 0 0 0 0 0 0 0 0 |STOI 1 3 0 0 0 0 0 0 0 0. |ASID ASH3 |ASNM ASH3 | AUEL -------------------------------------------------------------------------- | |ASID AUEL-S |ASNM AU
1 2 Page 9 | B2O3 -------------------------------------------------------------------------- | STOI 2 3 0 0 0 0 0 0 0 0 |STOI 2 3 0 0 0 0 0 0 0 0. |ASID B2O3 |ASID B2O3-S | B2OOH5ION --------------------------------------------------------------------- | |ASID B2OOH5- | B2S3 -------------------------------------------------------------------------- | |ASID B2S3-S | B3BPROPNAT -------------------------------------------------------------------- | |ASID B3BPRNAT | B3O3OH4ION -------------------------------------------------------------------- | |ASID B3O3OH4- | B4O5OH4ION -------------------------------------------------------------------- | |ASID B4O5H4-2 | B5O6OH6ION -------------------------------------------------------------------- | |ASID B5O6OH-3 | BAAC2 ------------------------------------------------------------------------- | |ASID BAAC2 |ASID BAAC2-S | BAAC2.3H2O -------------------------------------------------------------------- | |ASID BAAC2W3 | BAAC2.H2O --------------------------------------------------------------------- | |ASID BAAC2W1 | BAACETION --------------------------------------------------------------------- | |ASID BAACET+ | BACL2 ------------------------------------------------------------------------- | |ASID BACL2-S
1 2 Page 10 | BACL2.0.5H2O ------------------------------------------------------------------ | STOI 1 2 1 0.5 0 0 0 0 0 0 |STOI 1 2 1 0.5 0 0 0 0 0 0. |ASID BACL2W5 | BACL2.1H2O -------------------------------------------------------------------- | STOI 1 2 2 1 0 0 0 0 0 0 |STOI 1 2 2 1 0 0 0 0 0 0. |ASID BACL2W1 | BACL2.2H2O -------------------------------------------------------------------- | |ASID BACL2W2 | BACL21ME.1H2O ----------------------------------------------------------------- | STOI 2 3 1 1 1 0 0 0 0 0 |STOI 2 3 1 1 1 0 0 0 0 0. |ASID BACL21W1 | BACL22MEOH -------------------------------------------------------------------- | |ASID BACL22ME |ASID BACL22-S | BACO3 ------------------------------------------------------------------------- | |ASID BACO3 |ASNM BACO3 |ASID BACO3-S |ASNM BACO3 | BAEL -------------------------------------------------------------------------- | |ASID BAEL-S |ASNM BA | BAHCO32 ----------------------------------------------------------------------- | |ASID BAHCO32 | BAION ------------------------------------------------------------------------- | |ASID BA+2 |ASNM BA+2 | BAO --------------------------------------------------------------------------- | |ASID BAO | BAOH2 ------------------------------------------------------------------------- | |ASID BAOH2
1 2 Page 11 | BAOH2.1H2O -------------------------------------------------------------------- | GREF -1.109790E+06 |GREF -1.108347E+06 HREF -1.258130E+06 |HREF -1.256041E+06 SREF 133.637604 |SREF 135.821304 |ASID BAOH2W1 | BAOH2.3H2O -------------------------------------------------------------------- | GREF -1.590020E+06 |GREF -1.589497E+06 HREF -1.852410E+06 |HREF -1.851236E+06 SREF 217.317596 |SREF 219.501297 |ASID BAOH2W3 | BAOH2.8H2O -------------------------------------------------------------------- | GREF -2.788470E+06 |GREF -2.788511E+06 HREF -3.335970E+06 |HREF -3.335351E+06 SREF 426.517395 |SREF 428.701385 |ASID BAOH2W8 | BAOHCL ------------------------------------------------------------------------ | |ASID BAOHCLIN | BAOHCL.2H2O ------------------------------------------------------------------- | STOI 1 1 5 3 0 0 0 0 0 0 |STOI 1 1 5 3 0 0 0 0 0 0. |ASID BAOHCW2 | BAOHION ----------------------------------------------------------------------- | |ASID BAOH+ |ASNM BAOH+ | BASO4 ------------------------------------------------------------------------- | |ASID BASO4 |ASNM BASO4 |ASID BASO4-S |ASNM BASO4 | BATIO3 ------------------------------------------------------------------------ | |ASID BATIO3 |ASID BATIO3-S | BDGLUC ------------------------------------------------------------------------ | STOI 1 4 0 0 0 0 0 0 0 0 |STOI 1 4 0 0 0 0 0 0 0 0. |ASID BDGLUC |ASID BDGLUC-S
1 2 Page 12 | BEEL -------------------------------------------------------------------------- | |ASID BEEL-S |ASNM BE | BEION ------------------------------------------------------------------------- | |ASID BE+2 |ASNM BE+2 | BEL --------------------------------------------------------------------------- | |ASID BEL-S |ASNM B-B | BENZENE ----------------------------------------------------------------------- | |ASID BENZENE |ASNM C6H6 | BEO --------------------------------------------------------------------------- | |ASID BEO | BEO2ION ----------------------------------------------------------------------- | |ASID BEO2-2 |ASNM BEO2-2 | BEOH2 ------------------------------------------------------------------------- | |ASID BEOH2 | BF4ION ------------------------------------------------------------------------ | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID BF4- | BH4ION ------------------------------------------------------------------------ | MATC 485 1 0 0 0 0 0 0 0 0 |MATC 64 197 0 0 0 0 0 0 0 0 STOI 1 4 0 0 0 0 0 0 0 0 |STOI 1 4 0 0 0 0 0 0 0 0. |ASID BH4- |ASNM BH4- | BH5 --------------------------------------------------------------------------- | MATC 485 1 0 0 0 0 0 0 0 0 |MATC 64 197 1 0 0 0 0 0 0 0 STOI 1 5 0 0 0 0 0 0 0 0 |STOI 1 4 1 0 0 0 0 0 0 0. |ASID BH5
1 2 Page 13 | BI2S3 ------------------------------------------------------------------------- | |ASID BI2S3-S | BIEL -------------------------------------------------------------------------- | |ASID BIEL-S |ASNM BI | BIION ------------------------------------------------------------------------- | |ASID BI+3 | BIOH2ION ---------------------------------------------------------------------- | |ASID BIOH2+ | BIOH3 ------------------------------------------------------------------------- | |ASID BIOH3 |ASID BIOH3-S | BIOH4ION ---------------------------------------------------------------------- | STOI 1 4 4 0 0 0 0 0 0 0 |STOI 1 4 4 0 0 0 0 0 0 0. |ASID BIOH4- | BIOHION ----------------------------------------------------------------------- | |ASID BIOH+2 | BIURET ------------------------------------------------------------------------ | STOI 2 5 3 2 0 0 0 0 0 0 |STOI 2 5 3 2 0 0 0 0 0 0. |ASID BIURET |ASID BIURET-S | BIURET.1H2O ------------------------------------------------------------------- | STOI 2 7 3 3 0 0 0 0 0 0 |STOI 2 7 3 3 0 0 0 0 0 0. |ASID BIURETW1 | BIURETNRT --------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID BIUNRT |ASID BIUNRT-S
1 2 Page 14 | BIURETNRT.1H2O ---------------------------------------------------------------- | STOI 1 2 1 0 0 0 0 0 0 0 |STOI 1 2 1 0 0 0 0 0 0 0. |ASID BIUNRTW1 | BMIMBF4 ----------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID BMIMBF4 | BMIMCF3SO3 -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID BMCF3SO3 | BMIMION ----------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID BMIM+ | BMIMNCF3S2 -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID BMNCF3S2 | BMIMPF6 ----------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID BMIMPF6 | BNZDIOL12 --------------------------------------------------------------------- | |ASID BNDIOL12 |ASNM C6H6O2-E1 |ASID BNZO12-S | BOH3 -------------------------------------------------------------------------- | |ASID BOH3 |ASNM H3BO3 |ASID BOH3-S | BOH3CLION --------------------------------------------------------------------- | |ASID BOH3CL- | BOH3COOHION ------------------------------------------------------------------- | STOI 1 3 3 1 0 0 0 0 0 0 |STOI 1 3 3 1 0 0 0 0 0 0. |ASID BOH3COO-
1 2 Page 15 | BOH3MEG ----------------------------------------------------------------------- | STOI 1 4 3 1 0 0 0 0 0 0 |STOI 1 4 3 1 0 0 0 0 0 0. |ASID BOH3MEG |ASID BOH3ME-S | BOH4ION ----------------------------------------------------------------------- | |ASID BOH4- |ASNM B(OH)4- | BR2EL ------------------------------------------------------------------------- | |ASID BR2EL |ASID BR2EL-S | BR3ION ------------------------------------------------------------------------ | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID BR3- |ASNM BR3- | BR5ION ------------------------------------------------------------------------ | STOI 1 4 0 0 0 0 0 0 0 0 |STOI 1 4 0 0 0 0 0 0 0 0. |ASID BR5- | BRION ------------------------------------------------------------------------- | |ASID BR- |ASNM BR- | BRO3ION ----------------------------------------------------------------------- | |ASID BRO3- |ASNM BRO3- | BRO4ION ----------------------------------------------------------------------- | |ASID BRO4- |ASNM BRO4- | BROION ------------------------------------------------------------------------ | |ASID BRO- |ASNM BRO- | BU4NION ----------------------------------------------------------------------- | |ASID BU4N+
1 2 Page 16 | BU4NOH ------------------------------------------------------------------------ | |ASID BU4NOH | BUTAC2 ------------------------------------------------------------------------ | |ASID BUTAC2 | BUTACRYLAT -------------------------------------------------------------------- | |ASID BUACRYLT |ASNM C7H12O2-D1 | BUTANION ---------------------------------------------------------------------- | |ASID BUAN- | BUTANOLATION ------------------------------------------------------------------ | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID BUTANOL- | BUTENE1 ----------------------------------------------------------------------- | |ASID BUTENE1 |ASNM C4H8-1 | BUTRALDEHY -------------------------------------------------------------------- | |ASID BUTYRALD |ASNM C4H8O-1 | BUTYALCHOL -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID BUTALCHL |ASNM C4H10O-1 | BUTYLAMHION ------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID BUTYLAM+ | BUTYLAMINE -------------------------------------------------------------------- | |ASID BUTYAMN |ASNM C4H11N-1
1 2 Page 17 | BUTYRICAC --------------------------------------------------------------------- | SOLU 1.000000E-03 0.9 |SOLU 6.000000E-02 0.9 |ASID BUTRICAC |ASNM C4H8O2-1 | BZDIOL12ION ------------------------------------------------------------------- | |ASID BZDL12-2 | C10H22 ------------------------------------------------------------------------ | |ASID C10H22 |ASNM C10H22-1 | C11H24 ------------------------------------------------------------------------ | |ASID C11H24 |ASNM C11H24 | C12H26 ------------------------------------------------------------------------ | |ASID C12H26 |ASNM C12H26 | C13H28 ------------------------------------------------------------------------ | |ASID C13H28 |ASNM C13H28 | C14H30 ------------------------------------------------------------------------ | |ASID C14H30 |ASNM C14H30 | C15H32 ------------------------------------------------------------------------ | |ASID C15H32 |ASNM C15H32 | C16H34 ------------------------------------------------------------------------ | |ASID C16H34 |ASNM C16H34 | C17H36 ------------------------------------------------------------------------ | |ASID C17H36 |ASNM C17H36
1 2 Page 18 | C18H38 ------------------------------------------------------------------------ | |ASID C18H38 |ASNM C18H38 | C19H40 ------------------------------------------------------------------------ | |ASID NONDCAN1 |ASNM C19H40 | C20H42 ------------------------------------------------------------------------ | |ASID C20H42 |ASNM C20H42 | C2H4 -------------------------------------------------------------------------- | |ASID C2H4 |ASNM C2H4 | C2H6 -------------------------------------------------------------------------- | |ASID C2H6 |ASNM C2H6 | C3H6 -------------------------------------------------------------------------- | |ASID C3H6 |ASNM C3H6-2 | C3H8 -------------------------------------------------------------------------- | |ASID C3H8 |ASNM C3H8 | C4H10 ------------------------------------------------------------------------- | |ASID C4H10 |ASNM C4H10-1 | C5H12 ------------------------------------------------------------------------- | |ASID C5H12 |ASNM C5H12-1 | C6H14 ------------------------------------------------------------------------- | |ASID C6H14 |ASNM C6H14-1
1 2 Page 19 | C6H5O3NAH2 -------------------------------------------------------------------- | STOI 3 1 2 0 0 0 0 0 0 0 |STOI 3 1 2 0 0 0 0 0 0 0. |ASID C6H5O3N2 |ASID C6H5O3-S | C6H5OH ------------------------------------------------------------------------ | |ASID C6H5OH |ASNM C6H6O |ASID C6H5OH-S | C6H5OION ---------------------------------------------------------------------- | |ASID C6H5O- | C6H5ONA ----------------------------------------------------------------------- | |ASID C6H5ONA | C6H5ONA.3H2O ------------------------------------------------------------------ | STOI 1 1 6 3 0 0 0 0 0 0 |STOI 1 1 6 3 0 0 0 0 0 0. |ASID C6H5ON3W | C7H16 ------------------------------------------------------------------------- | |ASID C7H16 |ASNM C7H16-1 | C8H18 ------------------------------------------------------------------------- | |ASID C8H18 |ASNM C8H18-1 | C9H20 ------------------------------------------------------------------------- | |ASID C9H20 |ASNM C9H20-1 | CA2A2SO43 --------------------------------------------------------------------- | STOI 2 3 2 12 8 0 0 0 0 0 |STOI 2 3 2 12 8 0 0 0 0 0. |ASID CAASO4-S | CA2B2O5 ----------------------------------------------------------------------- | STOI 2 2 5 0 0 0 0 0 0 0 |STOI 2 2 5 0 0 0 0 0 0 0. |ASID CA2B2O5
1 2 Page 20 | CA2B6O11 ---------------------------------------------------------------------- | STOI 2 6 11 0 0 0 0 0 0 0 |STOI 2 6 11 0 0 0 0 0 0 0. |ASID CA2B6O11 | CA2B6O11.13H2O ---------------------------------------------------------------- | STOI 2 6 26 24 0 0 0 0 0 0 |STOI 2 6 26 24 0 0 0 0 0 0. |ASID CA2B6W13 | CA2B6O11.9H2O ----------------------------------------------------------------- | STOI 2 6 18 20 0 0 0 0 0 0 |STOI 2 6 18 20 0 0 0 0 0 0. |ASID CA2B6OW9 | CA3CL6.1H2O ------------------------------------------------------------------- | STOI 2 3 1 6 0 0 0 0 0 0 |STOI 2 3 1 6 0 0 0 0 0 0. |ASID CA3CL61W | CA3H2PRP4.H2O ----------------------------------------------------------------- | |ASID CA3RP4W1 | CA3PO42 ----------------------------------------------------------------------- | |ASID CA3PO4-S | CA5A2SO46.H2O ----------------------------------------------------------------- | STOI 5 6 2 25 10 0 0 0 0 0 |STOI 5 6 2 25 10 0 0 0 0 0. |ASID CAASO6W1 | CA5CLPO43 --------------------------------------------------------------------- | |ASID CA5CLP43 |ASID CA5CLP-S | CA5FPO43 ---------------------------------------------------------------------- | |ASID CA5FPO43 |ASID CA5FPO-S | CA5OHPO43 --------------------------------------------------------------------- | |ASID CA5OHP-S | CAA2SO42.1H2O ----------------------------------------------------------------- | STOI 1 2 2 9 10 0 0 0 0 0 |STOI 1 2 2 9 10 0 0 0 0 0. |ASID CAASO2W1
1 2 Page 21 | CAACET2 ----------------------------------------------------------------------- | |ASID CAACET | CAACET2.05H2O ----------------------------------------------------------------- | STOI 1 2 1 0.5 0 0 0 0 0 0 |STOI 1 2 1 0.5 0 0 0 0 0 0. |ASID CAACETW5 | CAACET2.1H2O ------------------------------------------------------------------ | |ASID CAACETW1 | CAACET2.2H2O ------------------------------------------------------------------ | |ASID CAACETW2 | CAACETION --------------------------------------------------------------------- | |ASID CAACET+ |ASNM CACH3CO2+ | CAB2O4 ------------------------------------------------------------------------ | |ASID CAB2O4 |ASID CAB2O4-S | CAB2O4.4H2O ------------------------------------------------------------------- | STOI 1 2 8 8 0 0 0 0 0 0 |STOI 1 2 8 8 0 0 0 0 0 0. |ASID CAB2O4W4 | CAB2O4.6H2O ------------------------------------------------------------------- | STOI 1 2 12 10 0 0 0 0 0 0 |STOI 1 2 12 10 0 0 0 0 0 0. |ASID CAB2O4W6 | CAB6O10 ----------------------------------------------------------------------- | STOI 1 6 10 0 0 0 0 0 0 0 |STOI 1 6 10 0 0 0 0 0 0 0. |ASID CAB6O10 | CAB6O10.4H2O ------------------------------------------------------------------ | STOI 1 6 8 14 0 0 0 0 0 0 |STOI 1 6 8 14 0 0 0 0 0 0. |ASID CAB6O1W4 | CABUT2 ------------------------------------------------------------------------ | |ASID CABUT2 |ASID CABUT2-S
1 2 Page 22 | CABUT2.1H2O ------------------------------------------------------------------- | |ASID CABUT2W1 | CABUTION ---------------------------------------------------------------------- | |ASID CABUTI+1 | CACL2 ------------------------------------------------------------------------- | |ASID CACL2 |ASID CACL2-S |ASNM CACL2 | CACL2.1H2O -------------------------------------------------------------------- | |ASID CACL2W1 | CACL2.2H2O -------------------------------------------------------------------- | |ASID CACL2W2 | CACL2.4H2O -------------------------------------------------------------------- | |ASID CACL2W4 | CACL2.6H2O -------------------------------------------------------------------- | |ASID CACL2W6 | CACL21MEOH -------------------------------------------------------------------- | |ASID CACL21ME |ASID CACL21-S | CACL22MEOH -------------------------------------------------------------------- | |ASID CACL22ME |ASID CACL22-S | CACL23DEG --------------------------------------------------------------------- | STOI 2 1 3 3 0 0 0 0 0 0 |STOI 2 1 3 3 0 0 0 0 0 0. |ASID CACL23-S | CACL24MEOH -------------------------------------------------------------------- | |ASID CACL24ME |ASID CACL24-S
1 2 Page 23 | CACLMEOHION ------------------------------------------------------------------- | |ASID CACLMEO+ | CACLNO32 ---------------------------------------------------------------------- | STOI 2 6 2 2 0 0 0 0 0 0 |STOI 2 6 2 2 0 0 0 0 0 0. |ASID CACLNO32 | CACLNO32.4H2O ----------------------------------------------------------------- | STOI 8 2 10 2 2 0 0 0 0 0 |STOI 8 2 10 2 2 0 0 0 0 0. |ASID CACLNOW4 | CACN2 ------------------------------------------------------------------------- | |ASID CACN2-S | CACO3 ------------------------------------------------------------------------- | |ASID CACO3 |ASNM CACO3 |ASID CACO3-S |ASNM CACO3 | CADEG2 ------------------------------------------------------------------------ | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID CADEG2 | CAEL -------------------------------------------------------------------------- | |ASID CAEL-S |ASNM CA | CAF2 -------------------------------------------------------------------------- | |ASID CAF2-S |ASNM CAF2 | CAFION ------------------------------------------------------------------------ | |ASID CAF+ | CAH2PO42 ---------------------------------------------------------------------- | |ASID CAH2PO-S | CAH2PO42.1H2O ----------------------------------------------------------------- | |ASID CAHPO4W1
1 2 Page 24 | CAH2PO4ION -------------------------------------------------------------------- | |ASID CAH2PO4+ | CAH2PRP4 ---------------------------------------------------------------------- | |ASID CA2RP4-S | CAH6SO44 ---------------------------------------------------------------------- | STOI 1 6 16 4 0 0 0 0 0 0 |STOI 1 6 16 4 0 0 0 0 0 0. |ASID CAH6SO-S | CAHACET3 ---------------------------------------------------------------------- | STOI 1 3 1 0 0 0 0 0 0 0 |STOI 1 3 1 0 0 0 0 0 0 0. |ASID CAHACE-S | CAHACET3.1H2O ----------------------------------------------------------------- | STOI 1 3 3 1 0 0 0 0 0 0 |STOI 1 3 3 1 0 0 0 0 0 0. |ASID CAHACEW1 | CAHEPT2 ----------------------------------------------------------------------- | |ASID CAHEPT2 |ASID CAHEPT-S | CAHEPT2.1H2O ------------------------------------------------------------------ | |ASID CAHEPTW1 | CAHEPTION --------------------------------------------------------------------- | |ASID CAHEPT+1 | CAHPO4 ------------------------------------------------------------------------ | |ASID CAHPO4 |ASID CAHPO4-S | CAHPO4.2H2O ------------------------------------------------------------------- | |ASID CAHPO4W2 | CAHSO42 ----------------------------------------------------------------------- | |ASID CAHSO42 |ASID CAHSO4-S
1 2 Page 25 | CAION ------------------------------------------------------------------------- | |ASID CA+2 |ASNM CA+2 | CAK4NO36 ---------------------------------------------------------------------- | STOI 4 1 18 6 0 0 0 0 0 0 |STOI 4 1 18 6 0 0 0 0 0 0. |ASID CAK4NO36 |ASID CAK4NO-S | CAMEG2 ------------------------------------------------------------------------ | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID CAMEG2 | CAMG2CL6 ---------------------------------------------------------------------- | |ASID CAMG2CL6 | CAMG2CL6.12H2O ---------------------------------------------------------------- | STOI 24 1 2 12 6 0 0 0 0 0 |STOI 24 1 2 12 6 0 0 0 0 0. VREF 5.200000E-04 |VREF 3.118010E-04 |ASID CAMG2CWD | CANC -------------------------------------------------------------------------- | STOI 8 6 27 1 6 0 0 0 0 0 |STOI 8 6 27 1 6 0 0 0 0 0. |ASID CANC | CANC.1H2O --------------------------------------------------------------------- | STOI 2 8 6 28 1 6 0 0 0 0 |STOI 2 8 6 28 1 6 0 0 0 0. GREF -1.325730E+07 |GREF -1.325426E+07 HREF -1.417380E+07 |HREF -1.417817E+07 SREF 625.713928 |SREF 601.108215 |ASID CANCW1 | CANC.2H2O --------------------------------------------------------------------- | STOI 4 8 6 29 1 6 0 0 0 0 |STOI 4 8 6 29 1 6 0 0 0 0. GREF -1.348820E+07 |GREF -1.348381E+07 HREF -1.446170E+07 |HREF -1.446473E+07 SREF 667.553894 |SREF 642.948181 |ASID CANCW2 | CANO32 ------------------------------------------------------------------------ | |ASID CANO32-S
1 2 Page 26 | CANO32.2H2O ------------------------------------------------------------------- | STOI 4 1 8 2 0 0 0 0 0 0 |STOI 4 1 8 2 0 0 0 0 0 0. |ASID CANO32W2 | CANO32.3H2O ------------------------------------------------------------------- | |ASID CANO32W3 | CANO32.4H2O ------------------------------------------------------------------- | |ASID CANO32W4 | CAO --------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID CAO |ASID CAO-S |ASNM CAO | CAOH2 ------------------------------------------------------------------------- | |ASID CAOH2-S |ASNM CA(OH)2 | CAOHCL ------------------------------------------------------------------------ | |ASID CAOHCLIN | CAOHCN.12H2O ------------------------------------------------------------------ | STOI 4 2 30 18 0 0 0 0 0 0 |STOI 4 2 30 18 0 0 0 0 0 0. |ASID CAOHCW12 | CAOHION ----------------------------------------------------------------------- | |ASID CAOH+ |ASNM CAOH+ | CAPROLACTAM ------------------------------------------------------------------- | |ASID CAPROLAC |ASID CAPROL-S | CAPROP2 ----------------------------------------------------------------------- | |ASID CAPROP2 |ASID CAPRP2-S | CAPROP2.1H2O ------------------------------------------------------------------ | |ASID CAPRP2W1
1 2 Page 27 | CAPROPION --------------------------------------------------------------------- | |ASID CAPROP+ | CARBNTET ---------------------------------------------------------------------- | |ASID CARBTCL |ASNM CCL4 | CARBON ------------------------------------------------------------------------ | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID CARBON-S | CASO4 ------------------------------------------------------------------------- | |ASID CASO4 |ASNM CASO4 |ASID CASO4-S |ASNM CASO4 | CASO4.0.5H2O ------------------------------------------------------------------ | STOI 1 4.5 1 1 0 0 0 0 0 0 |STOI 1 4.5 1 1 0 0 0 0 0 0. |ASID CASO4W5 | CASO4.2H2O -------------------------------------------------------------------- | |ASID CASO4W2 | CASO4MEOH --------------------------------------------------------------------- | |ASID CASO4H-S | CASRCL4.12H2O ----------------------------------------------------------------- | STOI 4 24 12 1 1 0 0 0 0 0 |STOI 4 24 12 1 1 0 0 0 0 0. |ASID CASRC12W | CATEG2 ------------------------------------------------------------------------ | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID CATEG2 | CAZRO3 ------------------------------------------------------------------------ | |ASID CAZRO3 | CBUTEN ------------------------------------------------------------------------ | |ASID CBUTEN |ASNM C4H8-2
1 2 Page 28 | CDEL -------------------------------------------------------------------------- | |ASID CDEL-S |ASNM CD | CDHS2 ------------------------------------------------------------------------- | |ASID CDHS2 | CDHS3ION ---------------------------------------------------------------------- | |ASID CDHS3- | CDHS4ION ---------------------------------------------------------------------- | |ASID CDHS4-2 | CDHSION ----------------------------------------------------------------------- | |ASID CDHS+ | CDION ------------------------------------------------------------------------- | |ASID CD+2 |ASNM CD+2 | CDOH2 ------------------------------------------------------------------------- | |ASID CDOH2 |ASID CDOH2-S | CDOH3ION ---------------------------------------------------------------------- | |ASID CDOH3- | CDOH4ION ---------------------------------------------------------------------- | |ASID CDOH4-2 | CDOHION ----------------------------------------------------------------------- | |ASID CDOH+ | CE2O3 ------------------------------------------------------------------------- | |ASID CE2O3-S | CE2S3 ------------------------------------------------------------------------- | |ASID CE2S3-S
1 2 Page 29 | CEEL -------------------------------------------------------------------------- | |ASID CEEL-S |ASNM CE | CEION ------------------------------------------------------------------------- | |ASID CE+3 |ASNM CE+3 | CEIVION ----------------------------------------------------------------------- | |ASID CEIV+4 |ASNM CE+4 | CEL --------------------------------------------------------------------------- | |ASID CEL-S |ASNM C | CEO2 -------------------------------------------------------------------------- | |ASID CEO2-S | CEOH2ION ---------------------------------------------------------------------- | |ASID CEOH2+ | CEOH3 ------------------------------------------------------------------------- | |ASID CEOH3 |ASID CEOH3-S | CEOH4ION ---------------------------------------------------------------------- | |ASID CEOH4- | CEOHION ----------------------------------------------------------------------- | |ASID CEOH+2 | CF3SO3ION --------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID CF3SO3- | CH3SO3ION --------------------------------------------------------------------- | |ASID CH3SO3-
1 2 Page 30 | CH4 --------------------------------------------------------------------------- | |ASID CH4 |ASNM CH4 | CH4SO3 ------------------------------------------------------------------------ | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID CH4SO3 |ASID CH4SO3-S | CH4SO3.1H2O ------------------------------------------------------------------- | STOI 1 3 1 0 0 0 0 0 0 0 |STOI 1 3 1 0 0 0 0 0 0 0. |ASID CH4SO3W1 | CH4SO3.3H2O ------------------------------------------------------------------- | STOI 1 7 3 0 0 0 0 0 0 0 |STOI 1 7 3 0 0 0 0 0 0 0. |ASID CH4SO3W3 | CHEXAMNHION ------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID CHEXNH+1 | CHEXNNOXIM -------------------------------------------------------------------- | |ASID CHXNOXIM |ASNM C6H11NO-D1 |ASID CHEXNN_S | CHLOROFM ---------------------------------------------------------------------- | |ASID CLFORM |ASNM CHCL3 | CHXANOL ----------------------------------------------------------------------- | |ASID CHXANOL |ASNM C6H12O-1 | CITRAC ------------------------------------------------------------------------ | STOI 3 1 0 0 0 0 0 0 0 0 |STOI 3 1 0 0 0 0 0 0 0 0. |ASID CITRAC |ASID CITRAC-S | CITRAC.1H2O ------------------------------------------------------------------- | |ASID CITRACW1
1 2 Page 31 | CITRATION --------------------------------------------------------------------- | |ASID CITRAT-3 | CL2 --------------------------------------------------------------------------- | |ASID CL2 |ASNM CL2 | CLION ------------------------------------------------------------------------- | |ASID CL- |ASNM CL- | CLO2 -------------------------------------------------------------------------- | |ASID CLO2 |ASNM CLO2 | CLO2ION ----------------------------------------------------------------------- | |ASID CLO2- |ASNM CLO2- | CLO3ION ----------------------------------------------------------------------- | |ASID CLO3- |ASNM CLO3- | CLO4ION ----------------------------------------------------------------------- | |ASID CLO4- |ASNM CLO4- | CLOION ------------------------------------------------------------------------ | |ASID CLO- |ASNM CLO- | CNION ------------------------------------------------------------------------- | |ASID CN- |ASNM CN- | CO ---------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID CO |ASNM CO
1 2 Page 32 | CO2 --------------------------------------------------------------------------- | CP 26.2022 5.116200E-02 |CP 26.2022 5.116200E-02 + -1.697720E+05 -2.905820E-05 6.200|+ -1.697720E+05 -2.905800E-05 6.200440E-09 HKF 0.8 0 0 0 40.032501 88004 -2000 |HKF 1.50979 0 -109.418999 0 |+ 40.032501 88004 -2000 SOLU 2.000000E-02 5.000000E-03 |SOLU 5.000000E-03 5.000000E-03 |ASID CO2 |ASNM CO2 | CO3ION ------------------------------------------------------------------------ | |ASID CO3-2 |ASNM CO3-2 | COAL -------------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID COAL-S | COEL -------------------------------------------------------------------------- | |ASID COEL-S |ASNM COBALT | COIIACRYL2 -------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID COACRYL2 | COIIACRYLION ------------------------------------------------------------------ | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID COACRYL+ | COIIIION ---------------------------------------------------------------------- | |ASID COIII+3 |ASNM CO+3 | COIIIOH3 ---------------------------------------------------------------------- | |ASID COIOH3-S | COIIIOHION -------------------------------------------------------------------- | |ASID COOH+2 |ASNM CO(NH3)+2 | COIIION ----------------------------------------------------------------------- | |ASID COII+2 |ASNM CO+2
1 2 Page 33 | COIIOH2 ----------------------------------------------------------------------- | |ASID COIIOH2 |ASID COIOH2-S | COIIOH3ION -------------------------------------------------------------------- | |ASID COIIOH3- | COIIOH4ION -------------------------------------------------------------------- | |ASID COIOH4-2 | COIIOHION --------------------------------------------------------------------- | |ASID COIIOH+ | COIIS ------------------------------------------------------------------------- | |ASID COIIS-S | COIISO4 ----------------------------------------------------------------------- | |ASID COIISO4 | COIISO4.1H2O ------------------------------------------------------------------ | |ASID COISO4W1 | COIISO4.6H2O ------------------------------------------------------------------ | |ASID COISO4W6 | COIISO4.7H2O ------------------------------------------------------------------ | |ASID COISO4W7 | COKE -------------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID COKE-S | COOHION ----------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID COOH- |ASNM CHO2- | CPRLCTM.H2O ------------------------------------------------------------------- | |ASID CPRLCT1W
1 2 Page 34 | CPRLCTMHION ------------------------------------------------------------------- | |ASID CPRLCT+1 | CR2O7ION ---------------------------------------------------------------------- | |ASID CR2O7-2 |ASNM CR2O7-2 | CR2S3 ------------------------------------------------------------------------- | |ASID CR2S3-S | CR2SO4 ------------------------------------------------------------------------ | |ASID CR2SO4 |ASID CR2SO4-S | CR2SO4.14H2O ------------------------------------------------------------------ | |ASID CR2SOW14 | CR2SO4.16H2O ------------------------------------------------------------------ | |ASID CR2SOW16 | CR3NO33.3H2O ------------------------------------------------------------------ | STOI 1 3 6 12 0 0 0 0 0 0 |STOI 1 3 6 12 0 0 0 0 0 0. |ASID CR3NO3W3 | CR3NO33.9H2O ------------------------------------------------------------------ | |ASID CR3NO3W9 | CREL -------------------------------------------------------------------------- | |ASID CREL-S |ASNM CR | CRIIIACRYL2ION ---------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID CRCRYL2+ | CRIIIACRYL3 ------------------------------------------------------------------- | STOI 1 3 0 0 0 0 0 0 0 0 |STOI 1 3 0 0 0 0 0 0 0 0. |ASID CRACRYL3
1 2 Page 35 | CRIIIACRYLION ----------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID CRCRYL+2 | CRIIICL2ION ------------------------------------------------------------------- | |ASID CRIIICL+ |ASNM CRCL2+ | CRIIICL3 ---------------------------------------------------------------------- | |ASID CRICL3-S | CRIIICL3.6H2O ----------------------------------------------------------------- | STOI 1 3 12 6 0 0 0 0 0 0 |STOI 1 3 12 6 0 0 0 0 0 0. |ASID CRICL3W6 | CRIIICLION -------------------------------------------------------------------- | |ASID CRICL+2 | CRIIIION ---------------------------------------------------------------------- | |ASID CRIII+3 |ASNM CR+3 | CRIIINO33 --------------------------------------------------------------------- | |ASID CRNO33 |ASID CRINO3-S | CRIIINO3ION ------------------------------------------------------------------- | |ASID CRNO3+2 | CRIIION ----------------------------------------------------------------------- | |ASID CRII+2 | CRIIOH2 ----------------------------------------------------------------------- | |ASID CRIIOH2 | CRO2ION ----------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID CRO2-
1 2 Page 36 | CRO3 -------------------------------------------------------------------------- | |ASID CRO3 |ASID CRO3-S | CRO4ION ----------------------------------------------------------------------- | |ASID CRO4-2 |ASNM CRO4-2 | CROH3 ------------------------------------------------------------------------- | |ASID CROH3 |ASID CROH3-S | CROHION ----------------------------------------------------------------------- | |ASID CROH+2 |ASNM CROH+2 | CROION ------------------------------------------------------------------------ | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID CRO+ | CRS --------------------------------------------------------------------------- | |ASID CRS-S | CRSO4ION ---------------------------------------------------------------------- | |ASID CRSO4+ | CRSO4OH ----------------------------------------------------------------------- | |ASID CRSO4OH | CS2O -------------------------------------------------------------------------- | |ASID CS2O | CSEL -------------------------------------------------------------------------- | |ASID CSEL-S |ASNM C-S | CSION ------------------------------------------------------------------------- | |ASID CS+ |ASNM CS+
1 2 Page 37 | CSOH -------------------------------------------------------------------------- | |ASID CSOH-S | CSOH.1H2O --------------------------------------------------------------------- | |VREF 4.563300E-05 |ASID CSOHW1 | CU2O -------------------------------------------------------------------------- | |ASID CU2O-S |ASNM CU2O | CU2OH2CO3 --------------------------------------------------------------------- | |ASID CU2OH2-S | CU3OH2CO32 -------------------------------------------------------------------- | |ASID CU3OH2-S | CUACRYLATE2 ------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID CUACATE2 | CUACRYLATION ------------------------------------------------------------------ | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID CUACLAT+ | CUCL2 ------------------------------------------------------------------------- | |ASID CUCL2 |ASNM CUCL2 |ASID CUCL2-S |ASNM CUCL2 | CUCL2.2H2O -------------------------------------------------------------------- | |ASID CUCL2W2 | CUCL2MHCL --------------------------------------------------------------------- | STOI 1 3 2 1 0 0 0 0 0 0 |STOI 1 3 2 1 0 0 0 0 0 0. |ASID CUCL2L-S
1 2 Page 38 | CUCL2MHCL2 -------------------------------------------------------------------- | STOI 1 4 4 2 0 0 0 0 0 0 |STOI 1 4 4 2 0 0 0 0 0 0. |ASID CUCL22-S | CUCLION ----------------------------------------------------------------------- | |ASID CUCL+ |ASNM CUCL+ | CUCLO42 ----------------------------------------------------------------------- | STOI 1 2 8 0 0 0 0 0 0 0 |STOI 1 2 8 0 0 0 0 0 0 0. |ASID CUCLO42 | CUCO3 ------------------------------------------------------------------------- | |ASID CUCO3 |ASID CUCO3-S | CUCO32ION --------------------------------------------------------------------- | |ASID CUCO32-2 | CUDEA2ION --------------------------------------------------------------------- | |ASID CUDEA2+2 | CUDEA3ION --------------------------------------------------------------------- | |ASID CUDEA3+2 | CUDEA4ION --------------------------------------------------------------------- | |ASID CUDEA4+2 | CUDEAION ---------------------------------------------------------------------- | |ASID CUDEA+2 | CUEL -------------------------------------------------------------------------- | |ASID CUEL-S |ASNM CU | CUHCL3.3H2O ------------------------------------------------------------------- | |ASID CUHCL3W3
1 2 Page 39 | CUHPAA2K ---------------------------------------------------------------------- | STOI 4 1 1 0 0 0 0 0 0 0 |STOI 4 1 1 0 0 0 0 0 0 0. |ASID CUHPAA2K | CUI2S ------------------------------------------------------------------------- | |ASID CUI2S-S |ASNM CU2S | CUI2SHS2ION ------------------------------------------------------------------- | STOI 2 3 2 0 0 0 0 0 0 0 |STOI 2 3 2 0 0 0 0 0 0 0. |ASID CUIHS2-2 | CUIHS ------------------------------------------------------------------------- | STOI 1 1 1 0 0 0 0 0 0 0 |STOI 1 1 1 0 0 0 0 0 0 0. |ASID CUIHS | CUIHS2ION --------------------------------------------------------------------- | STOI 1 2 2 0 0 0 0 0 0 0 |STOI 1 2 2 0 0 0 0 0 0 0. |ASID CUIHS2- | CUIION ------------------------------------------------------------------------ | |ASID CUI+ |ASNM CU+ | CUIOH ------------------------------------------------------------------------- | |ASID CUIOH | CUION ------------------------------------------------------------------------- | |ASID CU+2 |ASNM CU+2 | CUM2OHION --------------------------------------------------------------------- | STOI 1 1 3 2 0 0 0 0 0 0 |STOI 1 1 3 2 0 0 0 0 0 0. |ASID CUM2OH+ | CUMENE ------------------------------------------------------------------------ | |ASID CUMENE |ASNM C9H12-2 | CUNH32ION --------------------------------------------------------------------- | |ASID CUNH32+2 |ASNM CU(NH3)2+2
1 2 Page 40 | CUNH33ION --------------------------------------------------------------------- | |ASID CUNH33+2 |ASNM CU(NH3)3+2 | CUNH34ION --------------------------------------------------------------------- | |ASID CUNH34+2 |ASNM CU(NH3)4+2 | CUNH35ION --------------------------------------------------------------------- | |ASID CUNH35+2 |ASNM CU(NH3)5+2 | CUNH3ION ---------------------------------------------------------------------- | |ASID CUNH3+2 |ASNM CU(NH3)+2 | CUNO32 ------------------------------------------------------------------------ | |ASID CUNO32 | CUNO32.2.5H2O ----------------------------------------------------------------- | |ASID CUNO32W2 | CUNO32.6H2O ------------------------------------------------------------------- | |ASID CUNO32W6 | CUNO32.9H2O ------------------------------------------------------------------- | STOI 1 2 15 18 0 0 0 0 0 0 |STOI 1 2 15 18 0 0 0 0 0 0. |ASID CUNO32W9 | CUOH2 ------------------------------------------------------------------------- | STOI 1 2 2 0 0 0 0 0 0 0 |STOI 1 2 2 0 0 0 0 0 0 0. GREF -3.607920E+05 |GREF -3.606898E+05 HREF -4.384290E+05 |HREF -4.383242E+05 |ASID CUOH2 |ASID CUOH2-S | CUOH3ION ---------------------------------------------------------------------- | |ASID CUOH3-
1 2 Page 41 | CUOH4ION ---------------------------------------------------------------------- | STOI 1 4 4 0 0 0 0 0 0 0 |STOI 1 4 4 0 0 0 0 0 0 0. HREF -9.176390E+05 |HREF -9.139320E+05 SREF -52.12302 |SREF -39.686329 |ASID CUOH4-2 | CUOHION ----------------------------------------------------------------------- | |ASID CUOH+ | CUPAA2KION -------------------------------------------------------------------- | STOI 3 1 1 0 0 0 0 0 0 0 |STOI 3 1 1 0 0 0 0 0 0 0. |ASID CUPAA2K- | CUS --------------------------------------------------------------------------- | |ASID CUS-S | CUSHS2ION --------------------------------------------------------------------- | STOI 1 3 2 0 0 0 0 0 0 0 |STOI 1 3 2 0 0 0 0 0 0 0. |ASID CUSHS2-2 | CUSHS3ION --------------------------------------------------------------------- | STOI 1 4 3 0 0 0 0 0 0 0 |STOI 1 4 3 0 0 0 0 0 0 0. |ASID CUSHS3-3 | CUSHSION ---------------------------------------------------------------------- | STOI 1 2 1 0 0 0 0 0 0 0 |STOI 1 2 1 0 0 0 0 0 0 0. |ASID CUSHS- | CUSO4 ------------------------------------------------------------------------- | |ASID CUSO4-S |ASNM CUSO4 | CUSO4.1H2O -------------------------------------------------------------------- | STOI 1 2 5 1 0 0 0 0 0 0 |STOI 1 2 5 1 0 0 0 0 0 0. |ASID CUSO4W1 | CUSO4.3H2O -------------------------------------------------------------------- | |ASID CUSO4W3 | CUSO4.5H2O -------------------------------------------------------------------- | |ASID CUSO4W5
1 2 Page 42 | CYCLHEXAMN -------------------------------------------------------------------- | |ASID CYCLHEXA | CYCLOHEXAN -------------------------------------------------------------------- | |ASID CYCHEXAN |ASNM C6H12-1 | DCLMETHN ---------------------------------------------------------------------- | |ASID DCLMETH |ASNM CH2CL2 | DEAHNO3 ----------------------------------------------------------------------- | |ASID DEAHNO3 | DEG --------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID DEG | DEGCO2ION --------------------------------------------------------------------- | STOI 2 1 1 0 0 0 0 0 0 0 |STOI 2 1 1 0 0 0 0 0 0 0. |ASID DEGCO2- | DEGHION ----------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID DEGH+ | DEGION ------------------------------------------------------------------------ | |ASID DEG- | DEXCO2H ----------------------------------------------------------------------- | |ASID DEXCO2 | DEXCO2ION --------------------------------------------------------------------- | |ASID DEXCO2- | DEXH -------------------------------------------------------------------------- | |ASID DEXH | DEXH2ION ---------------------------------------------------------------------- | |ASID DEXH2+ |ASNM C4H12NO2+
1 2 Page 43 | DGXCO2ION --------------------------------------------------------------------- | STOI 1 1 2 0 0 0 0 0 0 0 |STOI 1 1 2 0 0 0 0 0 0 0. |ASID DGXCO2- |ASNM C5H10NO4- | DGXH -------------------------------------------------------------------------- | |ASID DGXH | DGXH2ION ---------------------------------------------------------------------- | |ASID DGXH2+ |ASNM C4H12NO2+ | DIETHCARB --------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID DIETHCAR | DIETHYLAHION ------------------------------------------------------------------ | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID DIETHYL+ | DIETHYLAMN -------------------------------------------------------------------- | |ASID DIETHYMN | DLMETHINN --------------------------------------------------------------------- | STOI 1 0.5 0.5 0 0 0 0 0 0 0 |STOI 1 0.5 0.5 0 0 0 0 0 0 0. |ASID DLMETH-S | DMEA -------------------------------------------------------------------------- | |ASID DMEA |ASNM C2H7N-2 | DMEAHION ---------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID DMEAH+ |ASNM (CH3)2NH2+ | DMETHINNION ------------------------------------------------------------------- | |ASID DMETHIN- | DMEXH ------------------------------------------------------------------------- | |ASID DMEXH
1 2 Page 44 | DMEXH2ION --------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID DMEXH+1 | DMF --------------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID DMF | DMIPA ------------------------------------------------------------------------- | |ASID DMIPA | DMIPAHION --------------------------------------------------------------------- | |ASID DMIPAH+ | DOCOSAN ----------------------------------------------------------------------- | |ASID DOCOSAN | DOCTRIACON -------------------------------------------------------------------- | |ASID DOCTRIAC | DYEL -------------------------------------------------------------------------- | |ASID DYEL-S | DYION ------------------------------------------------------------------------- | |ASID DY+3 |ASNM DY+3 | DYOH2ION ---------------------------------------------------------------------- | |ASID DYOH2+ | DYOH3 ------------------------------------------------------------------------- | |ASID DYOH3 | DYOH4ION ---------------------------------------------------------------------- | |ASID DYOH4- | DYOHION ----------------------------------------------------------------------- | |ASID DYOH+2
1 2 Page 45 | EMIMBF4 ----------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID EMIMBF4 | EMIMCF3SO3 -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID EMCF3SO3 | EMIMION ----------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID EMIM+ | EMIMNCF3S2 -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. SOLU 0.3 8.000000E-04 |SOLU 1.000000E-03 8.000000E-04 |ASID EMNCF3S2 | EMIMPF6 ----------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID EMIMPF6 |ASID EMIMP6-S | ENAMN2 ------------------------------------------------------------------------ | |ASID ENAMN2 | ENAMN2H2ION ------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID ENAMN2+2 | ENAMN2HION -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID ENAMN2H+ | EREL -------------------------------------------------------------------------- | |ASID EREL-S | ERION ------------------------------------------------------------------------- | |ASID ER+3 |ASNM ER+3
1 2 Page 46 | EROH2ION ---------------------------------------------------------------------- | |ASID EROH2+ | EROH3 ------------------------------------------------------------------------- | |ASID EROH3 |ASID EROH3-S | EROH4ION ---------------------------------------------------------------------- | |ASID EROH4- | EROHION ----------------------------------------------------------------------- | |ASID EROH+2 | ETAMINE ----------------------------------------------------------------------- | |ASID ETAMN |ASNM C2H7N-1 | ETAMINEHION ------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID ETAMINE+ | ETBNZ ------------------------------------------------------------------------- | |ASID ETBNZ |ASNM C8H10-4 | ETHANOL ----------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID ETHANOL |ASNM C2H6O-2 | ETHEGLYCOL -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID ETHGLYCL |ASNM C2H6O2 | ETHEGLYION -------------------------------------------------------------------- | |ASID ETHEGLY-
1 2 Page 47 | ETHGLYHION -------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID ETHGLYH+ | ETOH2ION ---------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID ETOH2+ | ETOION ------------------------------------------------------------------------ | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID ETO- | EUEL -------------------------------------------------------------------------- | |ASID EUEL-S | EUIIIION ---------------------------------------------------------------------- | |ASID EUIII+3 |ASNM EU+3 | EUIIION ----------------------------------------------------------------------- | |ASID EUII+2 |ASNM EU+2 | EUIIOH2 ----------------------------------------------------------------------- | |ASID EUIIOH2 | EUOH2ION ---------------------------------------------------------------------- | |ASID EUOH2+ | EUOH3 ------------------------------------------------------------------------- | |ASID EUOH3 |ASID EUOH3-S | EUOH4ION ---------------------------------------------------------------------- | |ASID EUOH4- | EUOHION ----------------------------------------------------------------------- | |ASID EUOH+2
1 2 Page 48 | EY2O3 ------------------------------------------------------------------------- | |ASID EY2O3-S | EYBEL ------------------------------------------------------------------------- | |ASID EYBEL-S | EYBIIIION --------------------------------------------------------------------- | |ASID EYBIII+3 | EYBIIION ---------------------------------------------------------------------- | |ASID EYBII+2 | EYBIIOH2 ---------------------------------------------------------------------- | |ASID EYBIIOH2 | EYBOH2ION --------------------------------------------------------------------- | |ASID EYBOH2+ | EYBOH3 ------------------------------------------------------------------------ | |ASID EYBOH3 |ASID EYBOH3-S | EYBOH4ION --------------------------------------------------------------------- | |ASID EYBOH4- | EYBOHION ---------------------------------------------------------------------- | |ASID EYBOH+2 | EYEL -------------------------------------------------------------------------- | |ASID EYEL-S | EYION ------------------------------------------------------------------------- | |ASID EY+3 |ASNM Y+3 | EYOH2ION ---------------------------------------------------------------------- | |ASID EYOH2+
1 2 Page 49 | EYOH3 ------------------------------------------------------------------------- | |ASID EYOH3 |ASID EYOH3-S | EYOH4ION ---------------------------------------------------------------------- | |ASID EYOH4- | EYOHION ----------------------------------------------------------------------- | |ASID EYOH+2 |ASNM YOH+2 | F2 ---------------------------------------------------------------------------- | STOI 2 0 0 0 0 0 0 0 0 0 |STOI 2 0 0 0 0 0 0 0 0 0. |ASID F2 |ASNM F2 | FE2MOO43 ---------------------------------------------------------------------- | |ASID FE2MOO43 | FE2MOO43.8H2O ----------------------------------------------------------------- | GREF -4.671130E+06 |GREF -4.665394E+06 HREF -5.444730E+06 |HREF -5.438995E+06 |ASID FE2MOO8W | FE2SO43 ----------------------------------------------------------------------- | |ASID FE2SO4-S | FE2SO43.6H2O ------------------------------------------------------------------ | STOI 2 3 18 12 0 0 0 0 0 0 |STOI 2 3 18 12 0 0 0 0 0 0. |ASID FE2SO4W6 | FE2SO43.9H2O ------------------------------------------------------------------ | STOI 2 3 21 18 0 0 0 0 0 0 |STOI 2 3 21 18 0 0 0 0 0 0. |ASID FE2SO4W9 | FE3PO42.8H2O ------------------------------------------------------------------ | STOI 3 2 16 16 0 0 0 0 0 0 |STOI 3 2 16 16 0 0 0 0 0 0. |ASID FE3PO4W8 | FEACET2 ----------------------------------------------------------------------- | |ASID FEACET2
1 2 Page 50 | FEACETION --------------------------------------------------------------------- | |ASID FEACET+ | FECL3 ------------------------------------------------------------------------- | |ASID FECL3 |ASNM FECL3 |ASID FECL3-S |ASNM FECL3 | FECL3.10H2O ------------------------------------------------------------------- | |ASID FECL3W10 | FECL3.2.5H2O ------------------------------------------------------------------ | |ASID FECL3W25 | FECL3.2H2O -------------------------------------------------------------------- | |ASID FECL3W2 | FECL3.3.5H2O ------------------------------------------------------------------ | |ASID FECL3W35 | FECL3.6H2O -------------------------------------------------------------------- | |ASID FECL3W6 | FECL3HCL ---------------------------------------------------------------------- | |ASID FECL3HCL |ASID FECLCL-S | FECR2O4 ----------------------------------------------------------------------- | STOI 1 2 4 0 0 0 0 0 0 0 |STOI 1 2 4 0 0 0 0 0 0 0. |ASID FECR2O-S | FEEL -------------------------------------------------------------------------- | |ASID FEEL-S |ASNM FE | FEH2SO44.2H2O ----------------------------------------------------------------- | STOI 2 4 18 6 0 0 0 0 0 0 |STOI 2 4 18 6 0 0 0 0 0 0. |ASID FEH2SOW2
1 2 Page 51 | FEH2SO44.8H2O ----------------------------------------------------------------- | STOI 2 4 24 18 0 0 0 0 0 0 |STOI 2 4 24 18 0 0 0 0 0 0. |ASID FEH2SOW8 | FEHSION ----------------------------------------------------------------------- | STOI 1 1 1 0 0 0 0 0 0 0 |STOI 1 1 1 0 0 0 0 0 0 0. |ASID FEHS+ | FEIIACRYL2 -------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID FEACRYL2 | FEIIACRYLION ------------------------------------------------------------------ | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID FEACRYL+ | FEIIBR2 ----------------------------------------------------------------------- | |ASID FEIIBR2 |ASID FEIBR2-S | FEIIBR2.2H2O ------------------------------------------------------------------ | |ASID FEIBR2W2 | FEIIBR2.4H2O ------------------------------------------------------------------ | |ASID FEIBR2W4 | FEIIBR2.6H2O ------------------------------------------------------------------ | |ASID FEIBR2W6 | FEIIBR2.9H2O ------------------------------------------------------------------ | STOI 1 2 18 9 0 0 0 0 0 0 |STOI 1 2 18 9 0 0 0 0 0 0. |ASID FEBR2W9 | FEIICL2 ----------------------------------------------------------------------- | |ASID FEIICL2 |ASNM FECL2 |ASID FECL2-S |ASNM FECL2 | FEIICL2.2H2O ------------------------------------------------------------------ | |ASID FECL2W2
1 2 Page 52 | FEIICL2.4H2O ------------------------------------------------------------------ | |ASID FECL2W4 | FEIICL2.6H2O ------------------------------------------------------------------ | |ASID FECL2W6 | FEIICLION --------------------------------------------------------------------- | |ASID FEIICL+ | FEIICO3 ----------------------------------------------------------------------- | STOI 1 1 3 0 0 0 0 0 0 0 |STOI 1 1 3 0 0 0 0 0 0 0. |ASID FEIICO3 |ASID FEICO3-S | FEIIH2PAAION ------------------------------------------------------------------ | STOI 5 1 1 0 0 0 0 0 0 0 |STOI 5 1 1 0 0 0 0 0 0 0. |ASID FEH2PAA+ | FEIIHCO32 --------------------------------------------------------------------- | STOI 1 2 6 2 0 0 0 0 0 0 |STOI 1 2 6 2 0 0 0 0 0 0. |ASID FEIIHCO3 | FEIIHCO3ION ------------------------------------------------------------------- | STOI 1 1 1 3 0 0 0 0 0 0 |STOI 1 1 1 3 0 0 0 0 0 0. |ASID FEHCO3+ | FEIIHPAA2K -------------------------------------------------------------------- | STOI 4 1 1 0 0 0 0 0 0 0 |STOI 4 1 1 0 0 0 0 0 0 0. |ASID FEHPAA2K | FEIII2O3 ---------------------------------------------------------------------- | |ASID FEIII2O3 |ASID FE2O3-S |ASNM FE2O3 | FEIII2OH2ION ------------------------------------------------------------------ | |ASID FE2OH2+4 |ASNM FE2(OH)2+4
1 2 Page 53 | FEIIIACRYL2ION ---------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID FECRYL2+ | FEIIIACRYL3 ------------------------------------------------------------------- | STOI 1 3 0 0 0 0 0 0 0 0 |STOI 1 3 0 0 0 0 0 0 0 0. |ASID FEACRYL3 | FEIIIACRYLION ----------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID FECRYL+2 | FEIIIBR3 ---------------------------------------------------------------------- | |ASID FEIIIBR3 |ASID FEIIIB-S | FEIIICL2ION ------------------------------------------------------------------- | |ASID FECL2+ |ASNM FECL2+2 | FEIIICLION -------------------------------------------------------------------- | |ASID FECL+2 |ASNM FECL+2 | FEIIIION ---------------------------------------------------------------------- | |ASID FEIII+3 |ASNM FE+3 | FEIIIO2ION -------------------------------------------------------------------- | |ASID FEO2-1 | FEIIIOH3 ---------------------------------------------------------------------- | |ASID FEIIIOH3 |ASID FEOH3-S | FEIIIOHION -------------------------------------------------------------------- | |ASID FEOH+2 |ASNM FEOH+2 | FEIIIOION --------------------------------------------------------------------- | |ASID FEO+1
1 2 Page 54 | FEIIION ----------------------------------------------------------------------- | |ASID FEII+2 |ASNM FE+2 | FEIIIPAA2K -------------------------------------------------------------------- | STOI 3 1 1 0 0 0 0 0 0 0 |STOI 3 1 1 0 0 0 0 0 0 0. |ASID FEIPAA2K | FEIIIPAAION ------------------------------------------------------------------- | STOI 2 1 1 0 0 0 0 0 0 0 |STOI 2 1 1 0 0 0 0 0 0 0. |ASID FEIPAA- | FEIIIPAAOHION ----------------------------------------------------------------- | STOI 1 1 1 0 0 0 0 0 0 0 |STOI 1 1 1 0 0 0 0 0 0 0. |ASID FEIPAA-2 | FEIIIPO4.2H2O ----------------------------------------------------------------- | STOI 1 1 6 4 0 0 0 0 0 0 |STOI 1 1 6 4 0 0 0 0 0 0. |ASID FEPO4W2 | FEIINH32ION ------------------------------------------------------------------- | |ASID FENH32+2 | FEIINH33ION ------------------------------------------------------------------- | |ASID FENH33+2 | FEIINH34ION ------------------------------------------------------------------- | |ASID FENH34+2 | FEIINH35ION ------------------------------------------------------------------- | |ASID FENH35+2 | FEIINH36ION ------------------------------------------------------------------- | |ASID FENH36+2 | FEIINH3ION -------------------------------------------------------------------- | |ASID FENH3+2 | FEIINO32 ---------------------------------------------------------------------- | |ASID FEIINO32
1 2 Page 55 | FEIINO32.6H2O ----------------------------------------------------------------- | |ASID FENO32W6 | FEIINO32.9H2O ----------------------------------------------------------------- | |ASID FENO32W9 | FEIIOH2 ----------------------------------------------------------------------- | |ASID FEIIOH2 |ASID FEIIOH-S | FEIIOHION --------------------------------------------------------------------- | |ASID FEIIOH+ |ASNM FEOH+ | FEIIPAA2KION ------------------------------------------------------------------ | STOI 3 1 1 0 0 0 0 0 0 0 |STOI 3 1 1 0 0 0 0 0 0 0. |ASID FEPAA2K- | FEIIS ------------------------------------------------------------------------- | |ASID FEIIS-S |ASNM FES | FEIIS2 ------------------------------------------------------------------------ | |ASID FEIIS2-S |ASNM FES2 | FEIISO4 ----------------------------------------------------------------------- | |ASID FEIISO4 |ASID FESO4-S |ASNM FESO4 | FEIISO4.1H2O ------------------------------------------------------------------ | |ASID FESO4W1 | FEIISO4.7H2O ------------------------------------------------------------------ | |ASID FESO4W7 | FEMOO4ION --------------------------------------------------------------------- | GREF -9.221310E+05 |GREF -9.233916E+05 HREF -1.062100E+06 |HREF -1.063368E+06 |ASID FEMOO4+
1 2 Page 56 | FENH4SO4 ---------------------------------------------------------------------- | STOI 1 2 8 8 2 0 0 0 0 0 |STOI 1 2 8 8 2 0 0 0 0 0. |ASID FENH4SO4 | FENH4SO4.6H2O ----------------------------------------------------------------- | STOI 1 2 14 20 2 0 0 0 0 0 |STOI 1 2 14 20 2 0 0 0 0 0. |ASID FENH4SW6 | FENO33 ------------------------------------------------------------------------ | |ASID FENO33I | FENO33.6H2O ------------------------------------------------------------------- | STOI 1 3 12 15 0 0 0 0 0 0 |STOI 1 3 12 15 0 0 0 0 0 0. |ASID FENO33W6 | FENO33.9H2O ------------------------------------------------------------------- | |ASID FENO3W9 | FEO --------------------------------------------------------------------------- | |ASID FEO | FEOOH ------------------------------------------------------------------------- | |ASID FEOOH-S | FESHSION ---------------------------------------------------------------------- | STOI 1 2 1 0 0 0 0 0 0 0 |STOI 1 2 1 0 0 0 0 0 0 0. |ASID FESHS- | FEVO33 ------------------------------------------------------------------------ | STOI 1 3 9 0 0 0 0 0 0 0 |STOI 1 3 9 0 0 0 0 0 0 0. |ASID FEVO33 |ASID FEVO33_S | FEVO4 ------------------------------------------------------------------------- | STOI 1 1 4 0 0 0 0 0 0 0 |STOI 1 1 4 0 0 0 0 0 0 0. |ASID FEVO4 |ASID FEVO4_S | FION -------------------------------------------------------------------------- | |ASID F- |ASNM F-
1 2 Page 57 | FORM2 ------------------------------------------------------------------------- | STOI 2 2 0 0 0 0 0 0 0 0 |STOI 2 2 0 0 0 0 0 0 0 0. |ASID FORM2 | FORMALDHYD -------------------------------------------------------------------- | |ASID FORMALD |ASNM CH2O | FORMAMIDE --------------------------------------------------------------------- | |ASID FORMAMD |ASNM CH3NO | GAEL -------------------------------------------------------------------------- | |ASID GAEL-S | GAION ------------------------------------------------------------------------- | GREF -1.589920E+05 |GREF -1.620882E+05 HREF -2.117100E+05 |HREF -1.758109E+05 SREF -330.536011 |SREF -201.041199 VREF -4.050000E-05 |VREF 4.100000E-05 CPRE -110.875999 |CPRE -101.001801 HKF -0.28378 -1470.650024 11.5197 |HKF -0.2815 -1465.400024 11.51 + -21709 16.2356 -84326 277870 |+ -21730 16.903999 -79520 272800 |ASID GA+3 |ASNM GA+3 | GAOH3 ------------------------------------------------------------------------- | IUPA Gallium hydroxide |IUPA Gallium trihydroxide MATC 65 1 21 0 0 |MATC 65 1 21 0 0 0 0 0 0 0 STOI 1 3 3 0 0 |STOI 1 3 3 0 0 0 0 0 0 0. |ASID GAOH3 |**AQ LEVEL 1 |GREF -8.054620E+05 |HREF -9.281860E+05 |SREF 132.632797 |VREF 3.096000E-05 |CPRE 112.465897 |HKF 0.6002 687.400024 3.048 -30630 |+ 21.919001 24410 0 |EQUA GAOH3AQ=GAOH2ION+OHION |CHAR 0 |R_UQ 0.92 |Q_UQ 1.4
1 2 Page 58 | GDEL -------------------------------------------------------------------------- | |ASID GDEL-S | GDION ------------------------------------------------------------------------- | |ASID GD+3 |ASNM GD+3 | GDOH2ION ---------------------------------------------------------------------- | |ASID GDOH2+ | GDOH3 ------------------------------------------------------------------------- | |ASID GDOH3 |ASID GDOH3-S | GDOH4ION ---------------------------------------------------------------------- | |ASID GDOH4- | GDOHION ----------------------------------------------------------------------- | |ASID GDOH+2 | GEL.15.5H2O ------------------------------------------------------------------- | HREF -1.757540E+07 |HREF -1.757537E+07 |ASID GELW155 | GLDIIIION --------------------------------------------------------------------- | |ASID GLDIII+3 | GLDIIIOH3 --------------------------------------------------------------------- | |ASID GLDOH3 |ASNM AU(OH)3-P |ASID GLDOH3-S | GLDIIIOH4ION ------------------------------------------------------------------ | |ASID GLDOH4- | GLDIIIOH5ION ------------------------------------------------------------------ | |ASID GLDOH5-2 | GLDIION ----------------------------------------------------------------------- | |ASID GLDI+ |ASNM AU+
1 2 Page 59 | GLDIOH ------------------------------------------------------------------------ | |ASID GLDIOH | GLUCOS1ION -------------------------------------------------------------------- | |ASID GLUCOS- | GLUCOS2ION -------------------------------------------------------------------- | |ASID GLUCOS-2 | GLUCOS3ION -------------------------------------------------------------------- | |ASID GLUCOS-3 | GLUCOS4ION -------------------------------------------------------------------- | |ASID GLUCOS-4 | GLUCOSE ----------------------------------------------------------------------- | STOI 1 4 0 0 0 0 0 0 0 0 |STOI 1 4 0 0 0 0 0 0 0 0. |ASID GLUCOSEA | GLYCOLACID -------------------------------------------------------------------- | |ASID GLYCOLAC |ASNM C2H4O3-D1 |ASID GLYCOL-S | GLYCOLATION ------------------------------------------------------------------- | |ASID GLYCOLA- | H2 ---------------------------------------------------------------------------- | |ASID H2 |ASNM H2 | H2ACETION --------------------------------------------------------------------- | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID H2ACET+ | H2ASO4ION --------------------------------------------------------------------- | |ASID H2ASO4- |ASNM H2ASO4-
1 2 Page 60 | H2CITRATION ------------------------------------------------------------------- | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID H2CTRAT- | H2CO3 ------------------------------------------------------------------------- | |ASID H2CO3IN |ASNM H2CO3 | H2COOHION --------------------------------------------------------------------- | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID H2COOH+ | H2CR2O7 ----------------------------------------------------------------------- | |ASID H2CR2O7 | H2CRO4 ------------------------------------------------------------------------ | |ASID H2CRO4IN | H2DMETHINNION ----------------------------------------------------------------- | |ASID H2DMHIN+ | H2FION ------------------------------------------------------------------------ | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID H2F+ | H2LMETHINNION ----------------------------------------------------------------- | |ASID H2LMETN+ | H2MNO4 ------------------------------------------------------------------------ | |ASID H2MNO4 | H2MOO4 ------------------------------------------------------------------------ | **AQ LEVEL 1 | GREF -8.921270E+05 | HREF -1.019260E+06 | SREF 142.816696 | CPRE 83.68 | HKF 0 0 0 0 -45.375221 0 0 | EQUA H2MOO4AQ+H2O=H3OION+HMOO4ION | R_UQ 0.92 | Q_UQ 1.4 | |ASID H2MOO4
1 2 Page 61 | H2NICOTACDION ----------------------------------------------------------------- | |ASID H2NICOT+ | H2O --------------------------------------------------------------------------- | VREF 1.801500E-05 |VREF 2.003500E-05 |ASID H2O |ASNM H2O |ASID H2O-S | H2O2 -------------------------------------------------------------------------- | |ASID H2O2 |ASNM H2O2 | H2P2O7ION --------------------------------------------------------------------- | |ASID H2P2O7-2 |ASNM H2P2O7-2 | H2P3O10ION -------------------------------------------------------------------- | STOI 2 3 10 0 0 0 0 0 0 0 |STOI 2 3 10 0 0 0 0 0 0 0. |ASID H2P3O1-3 | H2PAA2000ION ------------------------------------------------------------------ | STOI 5 1 0 0 0 0 0 0 0 0 |STOI 5 1 0 0 0 0 0 0 0 0. |ASID H2P2000- | H2PBTCION --------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID H2PBTC-3 | H2PMLAION --------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID H2PMLA-1 | H2PO2ION ---------------------------------------------------------------------- | |ASID H2PO2- | H2PO3ION ---------------------------------------------------------------------- | |ASID H2PO3- | H2PO4ION ---------------------------------------------------------------------- | |ASID H2PO4- |ASNM H2PO4-
1 2 Page 62 | H2S --------------------------------------------------------------------------- | |ASID H2S |ASNM H2S | H2S2O3 ------------------------------------------------------------------------ | |ASID H2S2O3 | H2S2O4 ------------------------------------------------------------------------ | |ASID H2S2O4 |ASNM H2S2O4 | H2S2O6 ------------------------------------------------------------------------ | |ASID H2S2O6 | H2S2O8 ------------------------------------------------------------------------ | |ASID H2S2O8 |ASNM H2S2O8 | H2S5O6 ------------------------------------------------------------------------ | |ASID H2S5O6 | H2SEO3 ------------------------------------------------------------------------ | |ASID H2SEO3 |ASNM H2SEO3 | H2SEO4 ------------------------------------------------------------------------ | |ASID H2SEO4 | H2SIO4ION --------------------------------------------------------------------- | |ASID H2SIO4-2 | H2SO3 ------------------------------------------------------------------------- | |ASID H2SO3IN |ASNM H2SO3 | H2SO4 ------------------------------------------------------------------------- | |ASID H2SO4 |ASNM H2SO4
1 2 Page 63 | H2SO5 ------------------------------------------------------------------------- | |ASID H2SO5 | H2TE -------------------------------------------------------------------------- | |ASID H2TE | H2TEIVO3 ---------------------------------------------------------------------- | |ASID H2TEIVO3 | H2TEO4 ------------------------------------------------------------------------ | |ASID H2TEO4 | H2TMELLITION ------------------------------------------------------------------ | STOI 2 1 1 0 0 0 0 0 0 0 |STOI 2 1 1 0 0 0 0 0 0 0. |ASID H2TMELL- | H2VO4ION ---------------------------------------------------------------------- | |ASID H2VO4- |ASNM H2VO4- | H2WO4 ------------------------------------------------------------------------- | |ASID H2WO4 |ASNM H2WO4 |ASID H2WO4-S | H3ASO3 ------------------------------------------------------------------------ | |ASID H3ASO3 |ASNM H3ASO3 | H3ASO4 ------------------------------------------------------------------------ | |ASID H3ASO4 |ASNM H3ASO4 | H3O2ION ----------------------------------------------------------------------- | |ASID H3O2+ | H3OION ------------------------------------------------------------------------ | |ASID H3O+ |ASNM H3O+
1 2 Page 64 | H3P2O7ION --------------------------------------------------------------------- | |ASID H3P2O7- |ASNM H3P2O7- | H3P3O10ION -------------------------------------------------------------------- | STOI 3 3 10 0 0 0 0 0 0 0 |STOI 3 3 10 0 0 0 0 0 0 0. |ASID H3P3O1-2 | H3PAA2000ION ------------------------------------------------------------------ | STOI 6 1 0 0 0 0 0 0 0 0 |STOI 6 1 0 0 0 0 0 0 0 0. |ASID H3P200-1 | H3PBTCION --------------------------------------------------------------------- | STOI 1 3 0 0 0 0 0 0 0 0 |STOI 1 3 0 0 0 0 0 0 0 0. |ASID H3PBTC-2 | H3PO2 ------------------------------------------------------------------------- | |ASID H3PO2 |ASID H3PO2-S | H3PO3 ------------------------------------------------------------------------- | |ASID H3PO3 |ASNM H3PO3 |ASID H3PO3-S | H3PO4 ------------------------------------------------------------------------- | |ASID H3PO4 |ASNM H3PO4 |ASID H3PO4-S | H3PO4.0.5H2O ------------------------------------------------------------------ | STOI 4 4.5 1 0 0 0 0 0 0 0 |STOI 4 4.5 1 0 0 0 0 0 0 0. |ASID H3PO4W5 | H3VO4 ------------------------------------------------------------------------- | |ASID H3VO4 | H4P2O7 ------------------------------------------------------------------------ | |ASID H4P2O7
1 2 Page 65 | H4P3O10ION -------------------------------------------------------------------- | STOI 4 3 10 0 0 0 0 0 0 0 |STOI 4 3 10 0 0 0 0 0 0 0. |ASID H4P3O10- | H4PBTCION --------------------------------------------------------------------- | STOI 1 4 0 0 0 0 0 0 0 0 |STOI 1 4 0 0 0 0 0 0 0 0. |ASID H4PBTC-1 | H4SIO4 ------------------------------------------------------------------------ | |ASID H4SIO4 |ASNM H4SIO4 |**VA LEVEL 1 |ACEN 0.15 |TCRI 2000 |PCRI 4.026500E+07 |VCRI 3.741450E-04 |GREF -1.238510E+06 |HREF -1.340680E+06 |SREF 347.779999 |CPRE 115.25 |CP 44.89389 0.357224 -2.390651E+05 |+ -4.345350E-04 1.949340E-07 |EQUA H4SIO4VAP=SIO2AQ+2H2O |**AQ LEVEL 1 |GREF -3.095200E+05 |HREF -1.458880E+06 |SREF 189.076294 |VREF 5.630600E-05 |CPRE 77.54657 |HTYP 1 |EQUA H4SIO4AQ=SIO2AQ+2H2O |CHAR 0 |R_UQ 0.92 |Q_UQ 1.4 |EXTE 623.150024 | H4TEO6ION --------------------------------------------------------------------- | |ASID H4TEO6-2 | H4W6O21CLION ------------------------------------------------------------------ | STOI 4 6 21 1 0 0 0 0 0 0 |STOI 4 6 21 1 0 0 0 0 0 0. |ASID H4W6O2-3 | H5IO6 ------------------------------------------------------------------------- | |ASID H5IO6
1 2 Page 66 | H5P3O10 ----------------------------------------------------------------------- | STOI 5 3 10 0 0 0 0 0 0 0 |STOI 5 3 10 0 0 0 0 0 0 0. |ASID H5P3O10 | H5TEO6ION --------------------------------------------------------------------- | |ASID H5TEO6- | H5W6O21NO3ION ----------------------------------------------------------------- | STOI 5 6 24 1 0 0 0 0 0 0 |STOI 5 6 24 1 0 0 0 0 0 0. |ASID H5W6O2-2 | H6F6 -------------------------------------------------------------------------- | |ASID H6F6 | H6TEO6 ------------------------------------------------------------------------ | |ASID H6TEO6 | HACETTOA ---------------------------------------------------------------------- | |ASID HACETTOA | HACRYLATE --------------------------------------------------------------------- | |ASID HACRYLAT |ASNM C3H4O2-1 |ASID HACRTE-S | HADIPATION -------------------------------------------------------------------- | |ASID HADIPAT- | HARSO3ION --------------------------------------------------------------------- | |ASID HARSO3-2 | HASO2 ------------------------------------------------------------------------- | |ASID HASO2 |ASNM HASO2 | HASO4ION ---------------------------------------------------------------------- | |ASID HASO4-2 |ASNM HASO4-2
1 2 Page 67 | HBO2 -------------------------------------------------------------------------- | STOI 1 2 1 0 0 0 0 0 0 0 |STOI 1 2 1 0 0 0 0 0 0 0. |ASID HBO2 |ASID HBO2-S | HBR --------------------------------------------------------------------------- | |ASID HBR |ASNM HBR | HBRO -------------------------------------------------------------------------- | |ASID HBRO |ASNM HBRO | HBRO3 ------------------------------------------------------------------------- | |ASID HBRO3 |ASNM HBRO3 | HBRO4 ------------------------------------------------------------------------- | |ASID HBRO4 | HBZDIOL12ION ------------------------------------------------------------------ | |ASID HBZDI12- | HCF3SO3 ----------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID HCF3SOIN | HCITRATION -------------------------------------------------------------------- | |ASID HCITRA-2 | HCL --------------------------------------------------------------------------- | |ASID HCL |ASNM HCL | HCL.1H2O ---------------------------------------------------------------------- | |ASID HCLW1 | HCL.2H2O ---------------------------------------------------------------------- | |ASID HCLW2
1 2 Page 68 | HCL.3H2O ---------------------------------------------------------------------- | |ASID HCLW3 | HCLO -------------------------------------------------------------------------- | |ASID HCLO | HCLO2 ------------------------------------------------------------------------- | |ASID HCLO2 |ASNM HCLO2 | HCLO3 ------------------------------------------------------------------------- | |ASID HCLO3IN |ASNM HCLO3 | HCLO4 ------------------------------------------------------------------------- | |ASID HCLO4 |ASNM HCLO4 | HCN --------------------------------------------------------------------------- | |ASID HCN |ASNM CHN |ASID HCN-S | HCO3ION ----------------------------------------------------------------------- | |ASID HCO3- |ASNM HCO3- | HCOOH ------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID HCOOH |ASNM CH2O2 | HCRO2 ------------------------------------------------------------------------- | STOI 1 2 1 0 0 0 0 0 0 0 |STOI 1 2 1 0 0 0 0 0 0 0. |ASID HCRO2 | HCRO4ION ---------------------------------------------------------------------- | |ASID HCRO4- |ASNM HCRO4-
1 2 Page 69 | HDMETHINN --------------------------------------------------------------------- | |ASID HDMETHI |ASID HDMETH-S | HDROXAMN ---------------------------------------------------------------------- | STOI 3 1 1 0 0 0 0 0 0 0 |STOI 3 1 1 0 0 0 0 0 0 0. |ASID HDROXAMN |ASID HDROXA-S | HE ---------------------------------------------------------------------------- | |ASID HE |ASNM HE-4 | HENEICOSAN -------------------------------------------------------------------- | |ASID HENEICSN | HENTRIACNT -------------------------------------------------------------------- | |ASID HENTRIAC | HEPTANION --------------------------------------------------------------------- | |ASID HPTA- | HF ---------------------------------------------------------------------------- | |ASID HF |ASNM HF | HFEIICO32ION ------------------------------------------------------------------ | STOI 1 1 2 6 0 0 0 0 0 0 |STOI 1 1 2 6 0 0 0 0 0 0. |ASID HFEIIC-1 | HFEIIIO2 ---------------------------------------------------------------------- | |ASID HFEIIIO2 | HFEO2ION ---------------------------------------------------------------------- | |ASID HFEO2- | HG2ION ------------------------------------------------------------------------ | |ASID HG2+2 |ASNM HG2+2
1 2 Page 70 | HG2NO32 ----------------------------------------------------------------------- | STOI 2 2 6 0 0 0 0 0 0 0 |STOI 2 2 6 0 0 0 0 0 0 0. |ASID HG2NO32 | HG2NO32.2H2O ------------------------------------------------------------------ | STOI 2 2 8 4 0 0 0 0 0 0 |STOI 2 2 8 4 0 0 0 0 0 0. |ASID HG2NO32W | HG2OH2 ------------------------------------------------------------------------ | |ASID HG2OH2 | HG2OHION ---------------------------------------------------------------------- | |ASID HG2OH+ | HGCL2 ------------------------------------------------------------------------- | |ASID HGCL2 |ASNM HGCL2 |ASID HGCL2-S | HGCL4ION ---------------------------------------------------------------------- | |ASID HGCL4-2 |ASNM HGCL4-2 | HGEL -------------------------------------------------------------------------- | |ASID HGEL |ASID HGEL-S | HGION ------------------------------------------------------------------------- | |ASID HG+2 |ASNM HG+2 | HGO --------------------------------------------------------------------------- | |ASID HGOAQ |ASID HGO-S | HGOH2 ------------------------------------------------------------------------- | |ASID HGOH2 |ASNM HG(OH)2 | HGOHION ----------------------------------------------------------------------- | |ASID HGOH+ |ASNM HGOH+
1 2 Page 71 | HGS --------------------------------------------------------------------------- | |ASID HGS-S | HHDRAMION --------------------------------------------------------------------- | STOI 4 1 1 0 0 0 0 0 0 0 |STOI 4 1 1 0 0 0 0 0 0 0. |ASID HHDRAM+ | HHGO2ION ---------------------------------------------------------------------- | STOI 1 1 2 0 0 0 0 0 0 0 |STOI 1 1 2 0 0 0 0 0 0 0. |ASID HHGO2- | HI ---------------------------------------------------------------------------- | |ASID HI |ASNM HI | HI5H2O4 ----------------------------------------------------------------------- | STOI 1 4 9 4 0 0 0 0 0 0 |STOI 1 4 9 4 0 0 0 0 0 0. |ASID HI5H2O4 | HIO --------------------------------------------------------------------------- | |ASID HIO |ASNM HIO | HIO3 -------------------------------------------------------------------------- | |ASID HIO3 |ASNM HIO3 | HIODO4 ------------------------------------------------------------------------ | |ASID HIODO4 | HIPHTHTION -------------------------------------------------------------------- | |ASID HIPHTHT- | HLMETHINN --------------------------------------------------------------------- | |ASID HLMETHIN |ASID HLMETH-S | HMALATEDION ------------------------------------------------------------------- | |ASID HMALATD-
1 2 Page 72 | HMALATELION ------------------------------------------------------------------- | |ASID HMALATL- | HMNO4 ------------------------------------------------------------------------- | |ASID HMNO4 | HMOO4ION ---------------------------------------------------------------------- | STOI 1 4 1 0 0 0 0 0 0 0 |STOI 1 4 1 0 0 0 0 0 0 0. GREF -8.536330E+05 |GREF -8.606770E+05 HREF -8.859830E+05 |HREF -9.898470E+05 SREF 460.71701 |SREF 135.979996 HKF 0.485136 1198.083008 22.160749 |HKF 0.7732 1109.660034 1.3908 -32376 + -51591.28125 25.01683 21421.90039|+ 33.393002 27912 113590 EXTE 623.150024 | |ASID HMOO4- | HMOO6ION ---------------------------------------------------------------------- | STOI 1 2 4 1 0 0 0 0 0 0 |STOI 1 2 4 1 0 0 0 0 0 0. |ASID HMOO6I-1 | HNBO3 ------------------------------------------------------------------------- | |ASID HNBO3 | HNCO -------------------------------------------------------------------------- | STOI 1 1 1 1 0 0 0 0 0 0 |STOI 1 1 1 1 0 0 0 0 0 0. |ASID HNCO | HNCO3 ------------------------------------------------------------------------- | STOI 3 3 3 3 0 0 0 0 0 0 |STOI 3 3 3 3 0 0 0 0 0 0. |ASID HNCO3 |ASID HNCO3-S | HNCO3INERT -------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID HNCO3INT |ASID HNCO3I-S | HNCOINERT --------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID HNCOINET
1 2 Page 73 | HNICOTACD --------------------------------------------------------------------- | |ASID HNICOTCD |ASID HNICOT-S | HNO2 -------------------------------------------------------------------------- | |ASID HNO2 |ASNM HNO2 | HNO3 -------------------------------------------------------------------------- | |ASID HNO3 |ASNM HNO3 | HNO3SO32 ---------------------------------------------------------------------- | STOI 1 9 2 1 0 0 0 0 0 0 |STOI 1 9 2 1 0 0 0 0 0 0. |ASID HNO3SO32 | HO2ION ------------------------------------------------------------------------ | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID HO2- |ASNM HO2- | HOEL -------------------------------------------------------------------------- | |ASID HOEL-S | HOION ------------------------------------------------------------------------- | |ASID HO+3 |ASNM HO+3 | HOOH2ION ---------------------------------------------------------------------- | |ASID HOOH2+ | HOOH3 ------------------------------------------------------------------------- | |ASID HOOH3 | HOOH4ION ---------------------------------------------------------------------- | |ASID HOOH4- | HOOHION ----------------------------------------------------------------------- | |ASID HOOH+2
1 2 Page 74 | HOXALATION -------------------------------------------------------------------- | |ASID HOXALAT- | HP2O7ION ---------------------------------------------------------------------- | |ASID HP2O7-3 |ASNM HP2O7-3 | HP3O10ION --------------------------------------------------------------------- | STOI 1 3 10 0 0 0 0 0 0 0 |STOI 1 3 10 0 0 0 0 0 0 0. |ASID HP3O10-4 | HPAA2000ION ------------------------------------------------------------------- | STOI 4 1 0 0 0 0 0 0 0 0 |STOI 4 1 0 0 0 0 0 0 0 0. |ASID HP2000-2 | HPBO2ION ---------------------------------------------------------------------- | |ASID HPBO2- |ASNM HPBO2- | HPBTCION ---------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID HPBTC-4 | HPEG1000 ---------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID HPEG1000 | HPEG12000 --------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID HPEG1200 | HPEG1500 ---------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID HPEG1500 | HPEG20000 --------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID HPEG2000
1 2 Page 75 | HPEG600 ----------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID HPEG600 | HPEG6000 ---------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID HPEG6000 | HPMLAION ---------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID HPMLA-2 | HPNOICACID -------------------------------------------------------------------- | |ASID HPNICACD |ASNM C7H14O2-D3 | HPO3ION ----------------------------------------------------------------------- | |ASID HPO3-2 | HPO4ION ----------------------------------------------------------------------- | |ASID HPO4-2 |ASNM HPO4-2 | HPROPANATE -------------------------------------------------------------------- | |ASID HPRPNAT |ASNM C3H6O2-1 | HPTCOSAN ---------------------------------------------------------------------- | |ASID HPTCOSAN | HREO4 ------------------------------------------------------------------------- | |ASID HREO4 | HSEION ------------------------------------------------------------------------ | |ASID HSE- |ASNM HSE- | HSEO3ION ---------------------------------------------------------------------- | |ASID HSEO3- |ASNM HSEO3-
1 2 Page 76 | HSEO4ION ---------------------------------------------------------------------- | |ASID HSEO4- |ASNM HSEO4- | HSIO3ION ---------------------------------------------------------------------- | |ASID HSIO3- | HSION ------------------------------------------------------------------------- | |ASID HS- |ASNM HS- | HSNO2ION ---------------------------------------------------------------------- | STOI 1 1 2 0 0 0 0 0 0 0 |STOI 1 1 2 0 0 0 0 0 0 0. |ASID HSNO2- | HSO3F ------------------------------------------------------------------------- | STOI 1 1 3 1 0 0 0 0 0 0 |STOI 1 1 3 1 0 0 0 0 0 0. |ASID HSO3F | HSO3ION ----------------------------------------------------------------------- | |ASID HSO3- |ASNM HSO3- | HSO4ION ----------------------------------------------------------------------- | |ASID HSO4- |ASNM HSO4- | HSO5ION ----------------------------------------------------------------------- | |ASID HSO5- | HTAO3 ------------------------------------------------------------------------- | |ASID HTAO3 | HTCVIIO4 ---------------------------------------------------------------------- | |ASID HTCVO4-S | HTEION ------------------------------------------------------------------------ | |ASID HTE-
1 2 Page 77 | HTEIVO3ION -------------------------------------------------------------------- | |ASID HTEIVO3- | HTMELLITION ------------------------------------------------------------------- | STOI 1 1 1 0 0 0 0 0 0 0 |STOI 1 1 1 0 0 0 0 0 0 0. |ASID HTMELL-2 | HTO --------------------------------------------------------------------------- | STOI 1 1 1 0 0 0 0 0 0 0 |STOI 1 1 1 0 0 0 0 0 0 0. |ASID HTO | HTPHTHTION -------------------------------------------------------------------- | |ASID HTPHTHT- | HUIIIO2 ----------------------------------------------------------------------- | |ASID HUIIIO2A | HUIVO2ION --------------------------------------------------------------------- | |ASID HUIVO2+ | HUIVO3ION --------------------------------------------------------------------- | |ASID HUIVO3- | HUO4ION ----------------------------------------------------------------------- | STOI 1 4 1 0 0 0 0 0 0 0 |STOI 1 4 1 0 0 0 0 0 0 0. |ASID HUO4- | HVO4ION ----------------------------------------------------------------------- | |ASID HVO4-2 |ASNM HVO4-2 | HW6O21ION --------------------------------------------------------------------- | STOI 1 6 21 0 0 0 0 0 0 0 |STOI 1 6 21 0 0 0 0 0 0 0. |ASID HW6O21-5 | HWO4ION ----------------------------------------------------------------------- | |ASID HWO4- |ASNM HWO4-
1 2 Page 78 | HXCOSAN ----------------------------------------------------------------------- | |ASID HXCOSAN | HXTACONTAN -------------------------------------------------------------------- | |ASID HXTACONT | HYDROSOD ---------------------------------------------------------------------- | |ASID HYDROSOD | HYDSOD.2H2O ------------------------------------------------------------------- | GREF -1.324920E+07 |GREF -1.324935E+07 HREF -1.422780E+07 |HREF -1.425492E+07 SREF 673.181824 |SREF 582.606873 |ASID HYDSODW2 | HZNO2ION ---------------------------------------------------------------------- | GREF -4.632440E+05 |GREF -4.630286E+05 HREF -5.578740E+05 |HREF -5.620995E+05 SREF 59.843712 |SREF 44.948132 HKF 5.623000E-02 -640.469971 8.2588 |HKF 5.623000E-02 -640.469971 8.2588 + -25141 7.710562 10394 186690 |+ -25141 17.040489 10394 186690 |ASID HZNO2-1 | HZRO2ION ---------------------------------------------------------------------- | |ASID HZRO2+1 | HZRO3ION ---------------------------------------------------------------------- | |ASID HZRO3-1 | INEL -------------------------------------------------------------------------- | |ASID INEL-S | INION ------------------------------------------------------------------------- | |ASID IN+3 |ASNM IN+3 | INOH3 ------------------------------------------------------------------------- | |ASID INOH3
1 2 Page 79 | IOD2EL ------------------------------------------------------------------------ | STOI 2 0 0 0 0 0 0 0 0 0 |STOI 2 0 0 0 0 0 0 0 0 0. |ASID IOD2EL |ASID IOD2EL-S | IOD3ION ----------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID IOD3- |ASNM I3- | IODION ------------------------------------------------------------------------ | |ASID IOD- |ASNM I- | IODO3ION ---------------------------------------------------------------------- | |ASID IODO3- |ASNM IO3- | IODO4ION ---------------------------------------------------------------------- | |ASID IODO4- |ASNM IO4- | IODOION ----------------------------------------------------------------------- | |ASID IODO- |ASNM IO- | IPENTAN ----------------------------------------------------------------------- | |ASID IPENTAN |ASNM C5H12-2 | IPHTHALAC --------------------------------------------------------------------- | |ASID IPHTALAC |ASNM C8H6O4-D1 |ASID IPHTHA-S | IPHTHTION --------------------------------------------------------------------- | |ASID IPHTHT-2 | ISOBUTANE --------------------------------------------------------------------- | |ASID ISOBUTAN |ASNM C4H10-2
1 2 Page 80 | ISOBUTENE --------------------------------------------------------------------- | |ASID ISOBUTEN |ASNM C4H8-5 | ISOSORB ----------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID ISOSORB |ASID ISOSOR-S | ISPROH2ION -------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID ISPROH2+ | ISPROION ---------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID ISPRO- | ISPROPANOL -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID IPRPNOL |ASNM C3H8O-2 | K2ACET2.1H2O ------------------------------------------------------------------ | |ASID K2ACETW1 | K2ACET2.3H2O ------------------------------------------------------------------ | |ASID K2ACETW3 | K2CA5SO46 --------------------------------------------------------------------- | STOI 2 5 24 6 0 0 0 0 0 0 |STOI 2 5 24 6 0 0 0 0 0 0. |ASID KCA5SO46 | K2CA5SO46.H2O ----------------------------------------------------------------- | |ASID K2CA5SW1 | K2CASO42 ---------------------------------------------------------------------- | STOI 2 1 8 2 0 0 0 0 0 0 |STOI 2 1 8 2 0 0 0 0 0 0. |ASID K2CASO42
1 2 Page 81 | K2CASO42.1H2O ----------------------------------------------------------------- | STOI 2 2 1 9 2 0 0 0 0 0 |STOI 2 2 1 9 2 0 0 0 0 0. |ASID K2CASOW1 | K2CO3 ------------------------------------------------------------------------- | |ASID K2CO3-S |ASNM K2CO3 | K2CO3.1.5H2O ------------------------------------------------------------------ | |ASID K2CO3W15 | K2CO3.6H2O -------------------------------------------------------------------- | |ASID K2CO3W6 | K2HPO4 ------------------------------------------------------------------------ | |ASID K2HPO4-S | K2HPO4.3H2O ------------------------------------------------------------------- | |ASID K2HPO4W3 | K2HPO4.6H2O ------------------------------------------------------------------- | |ASID K2HPO4W6 | K2NA2CO32 --------------------------------------------------------------------- | |ASID K2NA2C32 |ASID K2NA2C-S | K2O --------------------------------------------------------------------------- | |ASID K2O | K2SO4 ------------------------------------------------------------------------- | |ASID K2SO4-S |ASNM K2SO4 | K3NASO42 ---------------------------------------------------------------------- | |ASID KNASO4-S | K3PO4 ------------------------------------------------------------------------- | |ASID K3PO4-S
1 2 Page 82 | K3PO4.3H2O -------------------------------------------------------------------- | |ASID K3PO4W3 | K3PO4.7H2O -------------------------------------------------------------------- | |ASID K3PO4W7 | K4H2CO33 ---------------------------------------------------------------------- | STOI 2 4 9 3 0 0 0 0 0 0 |STOI 2 4 9 3 0 0 0 0 0 0. |ASID K4H2CO33 | K4H2CO33.H2O ------------------------------------------------------------------ | STOI 5 4 10.5 3 0 0 0 0 0 0 |STOI 5 4 10.5 3 0 0 0 0 0 0. |ASID K4H2CO1W | KACET ------------------------------------------------------------------------- | |ASID KACET | KACET1MEOH -------------------------------------------------------------------- | |ASID KACET1ME |ASID KACET1-S | KBUT -------------------------------------------------------------------------- | |ASID KBUT |ASID KBUT-S | KCACL3 ------------------------------------------------------------------------ | STOI 1 1 3 0 0 0 0 0 0 0 |STOI 1 1 3 0 0 0 0 0 0 0. |ASID KCACL3 |ASID KCACL3-S | KCL --------------------------------------------------------------------------- | |ASID KCL |ASNM KCL |ASID KCL-S |ASNM KCL | KDEG -------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID KDEG
1 2 Page 83 | KEL --------------------------------------------------------------------------- | |ASID KEL-S |ASNM K | KF ---------------------------------------------------------------------------- | |ASID KF-S | KF.2H2O ----------------------------------------------------------------------- | |ASID KFW2 | KF.4H2O ----------------------------------------------------------------------- | |ASID KFW4 | KH2PO4 ------------------------------------------------------------------------ | |ASID KH2PO4-S | KHCO3 ------------------------------------------------------------------------- | |ASID KHCO3-S |ASNM KHCO3 | KHEPT ------------------------------------------------------------------------- | |ASID KHEPT |ASID KHEPT-S | KHSO4 ------------------------------------------------------------------------- | |ASID KHSO4 | KION -------------------------------------------------------------------------- | |ASID K+ |ASNM K+ | KMEG -------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID KMEG | KMGCL3 ------------------------------------------------------------------------ | STOI 1 1 3 0 0 0 0 0 0 0 |STOI 1 1 3 0 0 0 0 0 0 0. |ASID KMGCL3
1 2 Page 84 | KMGCL3.6H2O ------------------------------------------------------------------- | STOI 12 1 1 6 3 0 0 0 0 0 |STOI 12 1 1 6 3 0 0 0 0 0. |ASID KMGCL3W6 | KNACO3 ------------------------------------------------------------------------ | STOI 1 1 1 3 0 0 0 0 0 0 |STOI 1 1 1 3 0 0 0 0 0 0. |ASID KNACO3 | KNACO3.6H2O ------------------------------------------------------------------- | |ASID KNACO3W6 | KNO3 -------------------------------------------------------------------------- | |ASID KNO3-S |ASNM KNO3 | KOH --------------------------------------------------------------------------- | |ASID KOH |ASID KOH-S |ASNM KOH | KOH.1H2O ---------------------------------------------------------------------- | |ASID KOHW1 | KOH.2H2O ---------------------------------------------------------------------- | |ASID KOHW2 | KOH.4H2O ---------------------------------------------------------------------- | STOI 9 1 5 0 0 0 0 0 0 0 |STOI 9 1 5 0 0 0 0 0 0 0. |ASID KOHW4 | KPROP ------------------------------------------------------------------------- | |ASID KPROP |ASID KPROP-S | KPROP2ION --------------------------------------------------------------------- | |ASID KPROP2-1 | KR ---------------------------------------------------------------------------- | |ASID KR |ASNM KR
1 2 Page 85 | KTEG -------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID KTEG | LA2S3 ------------------------------------------------------------------------- | |ASID LA2S3-S | LAEL -------------------------------------------------------------------------- | |ASID LAEL-S | LAION ------------------------------------------------------------------------- | |ASID LA+3 |ASNM LA+3 | LAOH2ION ---------------------------------------------------------------------- | |ASID LAOH2+ | LAOH3 ------------------------------------------------------------------------- | |ASID LAOH3 |ASID LAOH3-S | LAOH4ION ---------------------------------------------------------------------- | |ASID LAOH4- | LAOHION ----------------------------------------------------------------------- | |ASID LAOH+2 | LI2B4O7 ----------------------------------------------------------------------- | |ASID LI2B4O7 |ASID LI2B4O-S | LI2B4O7.3H2O ------------------------------------------------------------------ | |ASID LI2B4OW3 | LI2B8O13 ---------------------------------------------------------------------- | |ASID LI2B8O13 |ASID LI2B8O-S | LI2CO3 ------------------------------------------------------------------------ | |ASID LI2CO3-S
1 2 Page 86 | LI2O -------------------------------------------------------------------------- | |ASID LI2O | LI2SO4 ------------------------------------------------------------------------ | |ASID LI2SO4 | LI2ZNCL4.2H2O ----------------------------------------------------------------- | STOI 4 5 2.5 1 2 0 0 0 0 0 |STOI 4 5 2.5 1 2 0 0 0 0 0. |ASID LI2ZNCW2 | LIACET ------------------------------------------------------------------------ | |ASID LIACET |ASID LIACET-S | LIACET.2H2O ------------------------------------------------------------------- | |ASID LIACETW2 | LIB3O5 ------------------------------------------------------------------------ | |ASID LIB3O5 |ASID LIB3O5-S | LIB5O8 ------------------------------------------------------------------------ | |ASID LIB5O8 | LIB5O8.5H2O ------------------------------------------------------------------- | |ASID LIB5O8W5 | LIBO2 ------------------------------------------------------------------------- | |ASID LIBO2-S | LIBO2.8H2O -------------------------------------------------------------------- | |ASID LIBO2W8 | LIBOH4 ------------------------------------------------------------------------ | |ASID LIBOH4 |ASID LIBOH4-S | LIC4H7O4 ---------------------------------------------------------------------- | |ASID LIC4H7O4 |ASID LIC4H7-S
1 2 Page 87 | LICACL3.5H2O ------------------------------------------------------------------ | STOI 10 1 5 3 1 0 0 0 0 0 |STOI 10 1 5 3 1 0 0 0 0 0. |ASID LICACLW5 | LICL -------------------------------------------------------------------------- | |ASID LICL |ASID LICL-S | LICL.1H2O --------------------------------------------------------------------- | |ASID LICLW1 | LICL.2H2O --------------------------------------------------------------------- | |ASID LICLW2 | LICL.3H2O --------------------------------------------------------------------- | |ASID LICLW3 | LICL.5H2O --------------------------------------------------------------------- | |ASID LICLW5 | LICLO4 ------------------------------------------------------------------------ | STOI 1 4 1 0 0 0 0 0 0 0 |STOI 1 4 1 0 0 0 0 0 0 0. |ASID LICLO4 | LICOOH ------------------------------------------------------------------------ | |ASID LICOOH-S | LICOOH.1H2O ------------------------------------------------------------------- | |ASID LICOOHW1 | LIDEG ------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID LIDEG | LIEL -------------------------------------------------------------------------- | |ASID LIEL-S |ASNM LI | LIF --------------------------------------------------------------------------- | |ASID LIF-S
1 2 Page 88 | LIHCO3 ------------------------------------------------------------------------ | |ASID LIHCO3IN | LIION ------------------------------------------------------------------------- | |ASID LI+ |ASNM LI+ | LIMEG ------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID LIMEG | LIMGCL3 ----------------------------------------------------------------------- | STOI 1 3 1 0 0 0 0 0 0 0 |STOI 1 3 1 0 0 0 0 0 0 0. |ASID LIMGCL3 | LIMGCL3.7H2O ------------------------------------------------------------------ | STOI 14 1 7 3 1 0 0 0 0 0 |STOI 14 1 7 3 1 0 0 0 0 0. |ASID LIMGCLW7 | LINO3 ------------------------------------------------------------------------- | |ASID LINO3IN | LIOH -------------------------------------------------------------------------- | |ASID LIOH |ASNM LIOH |ASID LIOH-S |ASNM LIOH | LIOH.1H2O --------------------------------------------------------------------- | |ASID LIOHW1 | LIPF6 ------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. VREF -100 |VREF 2.000000E-05 |ASID LIPF6 |**SO LEVEL 1 |GREF -2.121850E+06 |HREF -2.277770E+06 |SREF 155.300003 |VREF 1.860000E-04 |CPRE 151 |EQUA LIPF6PPT=LIPF6AQ |CP1 -42.618481 0.886417 0 |+ -7.951820E-04 0 |ASID LIPF6-S
1 2 Page 89 | LITEG ------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID LITEG | LMETHINNION ------------------------------------------------------------------- | |ASID LMETHIN- | LUEL -------------------------------------------------------------------------- | |ASID LUEL-S | LUION ------------------------------------------------------------------------- | |ASID LU+3 |ASNM LU+3 | LUOH2ION ---------------------------------------------------------------------- | |ASID LUOH2+ | LUOH3 ------------------------------------------------------------------------- | |ASID LUOH3 |ASID LUOH3-S | LUOH4ION ---------------------------------------------------------------------- | |ASID LUOH4- | LUOHION ----------------------------------------------------------------------- | |ASID LUOH+2 | M4PNTON2 ---------------------------------------------------------------------- | |ASID M4PNTON2 |ASNM C6H12O-2 | MAGNETITE --------------------------------------------------------------------- | |ASID MAGNET-S |ASNM FE3O4 | MALATEDION -------------------------------------------------------------------- | |ASID MALATD-2 | MALATELION -------------------------------------------------------------------- | |ASID MALATL-2
1 2 Page 90 | MALICAC ----------------------------------------------------------------------- | |ASID MALICAC |ASNM C4H6O5-D1 |ASID MALICA-S | MALICACD ---------------------------------------------------------------------- | |ASID MALICACD |ASID MALICD-S | MALICACL ---------------------------------------------------------------------- | |ASID MALICACL |ASID MALICL-S | MDEXH ------------------------------------------------------------------------- | |ASID MDEXH |ASNM C5H13NO2 | MDEXH2ION --------------------------------------------------------------------- | |ASID MDEXH2+ |ASNM C5H14NO2+ | MEAMINE ----------------------------------------------------------------------- | |ASID MEAMN |ASNM CH5N | MEAMINEHION ------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID MEAMINE+ | MEGCO2ION --------------------------------------------------------------------- | STOI 2 1 1 0 0 0 0 0 0 0 |STOI 2 1 1 0 0 0 0 0 0 0. |ASID MEGCO2- | MEOH2CL ----------------------------------------------------------------------- | STOI 1 2 1 0 0 0 0 0 0 0 |STOI 1 2 1 0 0 0 0 0 0 0. |ASID MEOH2CL | MEOH2ION ---------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID MEOH2+
1 2 Page 91 | MEOION ------------------------------------------------------------------------ | |ASID MEO- | MEPYROLIDN -------------------------------------------------------------------- | |ASID MPYROLDN |ASNM C5H9NO-D2 | METHANOL ---------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID METHNOL |ASNM CH4O | MEXCO2ION --------------------------------------------------------------------- | |ASID MEXCO2- |ASNM C3H6NO3- | MEXH -------------------------------------------------------------------------- | |ASID MEXH |ASNM C2H7NO | MEXH2ION ---------------------------------------------------------------------- | |ASID MEXH2+ |ASNM C2H8NO+ | MG2B6O11 ---------------------------------------------------------------------- | STOI 2 6 11 0 0 0 0 0 0 0 |STOI 2 6 11 0 0 0 0 0 0 0. |ASID MG2B6O11 | MG2BO11.15H2O ----------------------------------------------------------------- | STOI 2 6 30 26 0 0 0 0 0 0 |STOI 2 6 30 26 0 0 0 0 0 0. |ASID MG2BOW15 | MGB2O4 ------------------------------------------------------------------------ | |ASID MGB2O4 |ASID MGB2O4-S | MGB2O4.3H2O ------------------------------------------------------------------- | STOI 1 2 6 7 0 0 0 0 0 0 |STOI 1 2 6 7 0 0 0 0 0 0. |ASID MGB2O4W3
1 2 Page 92 | MGB6O10 ----------------------------------------------------------------------- | STOI 1 6 10 0 0 0 0 0 0 0 |STOI 1 6 10 0 0 0 0 0 0 0. |ASID MGB6O10 | MGBO10.7.5H2O ----------------------------------------------------------------- | STOI 1 6 15 17.5 0 0 0 0 0 0 |STOI 1 6 15 17.5 0 0 0 0 0 0. |ASID MGBO1W75 | MGCA2CL6 ---------------------------------------------------------------------- | STOI 2 1 6 0 0 0 0 0 0 0 |STOI 2 1 6 0 0 0 0 0 0 0. |ASID MGCA2CL6 | MGCA2CL6.6H2O ----------------------------------------------------------------- | STOI 12 2 1 6 6 0 0 0 0 0 |STOI 12 2 1 6 6 0 0 0 0 0. |ASID MGCACLW6 | MGCL2 ------------------------------------------------------------------------- | |ASID MGCL2 | MGCL2.12H2O ------------------------------------------------------------------- | STOI 24 1 12 2 0 0 0 0 0 0 |STOI 24 1 12 2 0 0 0 0 0 0. |ASID MGCL2W12 | MGCL2.2H2O -------------------------------------------------------------------- | |ASID MGCL2W2 | MGCL2.4H2O -------------------------------------------------------------------- | |ASID MGCL2W4 | MGCL2.6H2O -------------------------------------------------------------------- | |ASID MGCL2W6 | MGCL2.8H2O -------------------------------------------------------------------- | STOI 16 1 8 2 0 0 0 0 0 0 |STOI 16 1 8 2 0 0 0 0 0 0. |ASID MGCL2W8 | MGCL22DEG --------------------------------------------------------------------- | |ASID MGCL22-S
1 2 Page 93 | MGCL22ME.4H2O ----------------------------------------------------------------- | STOI 2 10 1 4 2 0 0 0 0 0 |STOI 2 10 1 4 2 0 0 0 0 0. |ASID MGCL22W4 | MGCL26MEOH -------------------------------------------------------------------- | |ASID MGCL26ME |ASID MGCL26-S | MGCLMEOHION ------------------------------------------------------------------- | |ASID MGCLMEO+ | MGCLO42 ----------------------------------------------------------------------- | STOI 2 1 8 0 0 0 0 0 0 0 |STOI 2 1 8 0 0 0 0 0 0 0. |ASID MGCLO42 | MGCLO42.8H2O ------------------------------------------------------------------ | STOI 2 16 1 16 0 0 0 0 0 0 |STOI 2 16 1 16 0 0 0 0 0 0. |ASID MGCLO48W | MGCLOH ------------------------------------------------------------------------ | |ASID MGCLOH | MGCO3 ------------------------------------------------------------------------- | |ASID MGCO3 |ASID MGCO3-S |ASNM MGCO3 | MGDEG2 ------------------------------------------------------------------------ | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID MGDEG2 | MGEL -------------------------------------------------------------------------- | |ASID MGEL-S |ASNM MG | MGF2 -------------------------------------------------------------------------- | |ASID MGF2-S | MGFION ------------------------------------------------------------------------ | |ASID MGF+ |ASNM MGF+
1 2 Page 94 | MGH6SO44 ---------------------------------------------------------------------- | STOI 6 1 16 4 0 0 0 0 0 0 |STOI 6 1 16 4 0 0 0 0 0 0. |ASID MGH6SO-S | MGHCL3.7H2O ------------------------------------------------------------------- | STOI 15 1 7 3 0 0 0 0 0 0 |STOI 15 1 7 3 0 0 0 0 0 0. |ASID MGHCL3W7 | MGHSO42.2H2O ------------------------------------------------------------------ | STOI 6 1 10 2 0 0 0 0 0 0 |STOI 6 1 10 2 0 0 0 0 0 0. |ASID MGHSO4W2 | MGION ------------------------------------------------------------------------- | |ASID MG+2 |ASNM MG+2 | MGMEG2 ------------------------------------------------------------------------ | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID MGMEG2 | MGNO32 ------------------------------------------------------------------------ | |ASID MGNO32-S | MGNO32.2H2O ------------------------------------------------------------------- | |ASID MGNO32W2 | MGNO32.6H2O ------------------------------------------------------------------- | |ASID MGNO32W6 | MGNO32.9H2O ------------------------------------------------------------------- | STOI 18 1 15 2 0 0 0 0 0 0 |STOI 18 1 15 2 0 0 0 0 0 0. |ASID MGNO32W9 | MGO --------------------------------------------------------------------------- | |ASID MGO | MGOH2 ------------------------------------------------------------------------- | |ASID MGOH2-S |ASNM MG(OH)2
1 2 Page 95 | MGOHION ----------------------------------------------------------------------- | |ASID MGOH+ |ASNM MGOH+ | MGSO4 ------------------------------------------------------------------------- | |ASID MGSO4 |ASNM MGSO4 |ASID MGSO4-S |ASNM MGSO4 | MGSO4.12H2O ------------------------------------------------------------------- | STOI 24 1 16 1 0 0 0 0 0 0 |STOI 24 1 16 1 0 0 0 0 0 0. |ASID MGSO4W12 | MGSO4.1H2O -------------------------------------------------------------------- | |ASID MGSO4W1 | MGSO4.4H2O -------------------------------------------------------------------- | STOI 8 1 8 1 0 0 0 0 0 0 |STOI 8 1 8 1 0 0 0 0 0 0. |ASID MGSO4W4 | MGSO4.5H2O -------------------------------------------------------------------- | STOI 10 1 9 1 0 0 0 0 0 0 |STOI 10 1 9 1 0 0 0 0 0 0. |ASID MGSO4W5 | MGSO4.6H2O -------------------------------------------------------------------- | |ASID MGSO4W6 | MGSO4.7H2O -------------------------------------------------------------------- | |ASID MGSO4W7 | MGSO41MEOH -------------------------------------------------------------------- | |ASID MGSO41ME |ASID MGSO41-S | MGTEG2 ------------------------------------------------------------------------ | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID MGTEG2 | MNEL -------------------------------------------------------------------------- | |ASID MNEL-S |ASNM MN
1 2 Page 96 | MNH2SO42 ---------------------------------------------------------------------- | |ASID MNH2SO-S | MNH2SO42.1H2O ----------------------------------------------------------------- | |ASID MNH2SOW1 | MNH6SO44 ---------------------------------------------------------------------- | |ASID MNH6SO-S | MNION ------------------------------------------------------------------------- | |ASID MN+2 |ASNM MN+2 | MNO4ION ----------------------------------------------------------------------- | |ASID MNO4-2 |ASNM MNO4- | MNOH2 ------------------------------------------------------------------------- | |ASID MNOH2 |ASID MNOH2-S | MNOH3ION ---------------------------------------------------------------------- | |ASID MNOH3- |ASNM MN(OH)3- | MNOH4ION ---------------------------------------------------------------------- | |ASID MNOH4-2 | MNOHION ----------------------------------------------------------------------- | |ASID MNOH+ |ASNM MNOH+ | MNS --------------------------------------------------------------------------- | |ASID MNS-S | MNSO4 ------------------------------------------------------------------------- | |ASID MNSO4 |ASNM MNSO4
1 2 Page 97 | MNSO4.1H2O -------------------------------------------------------------------- | |ASID MNSO4W1 | MNSO4.5H2O -------------------------------------------------------------------- | |ASID MNSO4W5 | MNSO4.7H2O -------------------------------------------------------------------- | |ASID MNSO4W7 | MNVIIO4ION -------------------------------------------------------------------- | |ASID MNVIIO4- |ASNM MNO4- | MOCL3 ------------------------------------------------------------------------- | |ASID MOCL3 | MOCLION ----------------------------------------------------------------------- | |ASID MOCL+2 | MOEL -------------------------------------------------------------------------- | |ASID MOEL-S |ASNM MO | MOION ------------------------------------------------------------------------- | |ASID MO+3 | MOO2SO4.1H2O ------------------------------------------------------------------ | GREF -1.407140E+06 |GREF -1.408230E+06 HREF -1.584620E+06 |HREF -1.593970E+06 SREF 313.568787 |SREF 285.866486 |ASID MOO2SOW1 | MOO3 -------------------------------------------------------------------------- | |ASID MOO3 | MOO3.1H2O --------------------------------------------------------------------- | GREF -9.020390E+05 |GREF -9.003550E+05 HREF -1.034780E+06 |HREF -1.033190E+06 SREF 124.016098 |SREF 123.694099 |ASID MOO3W1
1 2 Page 98 | MOO3.2H2O --------------------------------------------------------------------- | GREF -1.140130E+06 |GREF -1.138000E+06 HREF -1.358510E+06 |HREF -1.334040E+06 SREF 69.862167 |SREF 144.781494 |ASID MOO3W2 | MOO4ION ----------------------------------------------------------------------- | SREF 37.357601 |SREF 37.655998 CPRE -199.214005 |CPRE -198.740005 HKF -1.467209 5439.675781 167.273605 |HKF 0.69651 270.950012 18.661699 + -4.093040E+05 9.455283 -2.541370E|+ -28909 6.6829 -1.271020E+05 307770 |ASID MOO4-2 |ASNM MOO4-2 | MOO6ION ----------------------------------------------------------------------- | STOI 1 2 4 0 0 0 0 0 0 0 |STOI 1 2 4 0 0 0 0 0 0 0. |ASID MOO6-2 | MOOH2ION ---------------------------------------------------------------------- | |ASID MOOH2+ | MOOH3 ------------------------------------------------------------------------- | |ASID MOOH3 | MOOHION ----------------------------------------------------------------------- | |ASID MOOH+2 | MOPA -------------------------------------------------------------------------- | |ASID MOPA | MOPAHION ---------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID MOPAH+ | MORPHCO2ION ------------------------------------------------------------------- | STOI 1 1 2 0 0 0 0 0 0 0 |STOI 1 1 2 0 0 0 0 0 0 0. |ASID MORPHC-1 | MORPHHION --------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID MORPHH+
1 2 Page 99 | MORPHLN26ME ------------------------------------------------------------------- | |ASID MORP26ME | MORPHOLN ---------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID MORPHOLN | MORPHOLN26ION ----------------------------------------------------------------- | |ASID MOR26+ | MORPHOLNHCL ------------------------------------------------------------------- | STOI 1 2 1 0 0 0 0 0 0 0 |STOI 1 2 1 0 0 0 0 0 0 0. |ASID MORHCL-S | MORPHOLNHNO3 ------------------------------------------------------------------ | STOI 1 2 1 3 0 0 0 0 0 0 |STOI 1 2 1 3 0 0 0 0 0 0. |ASID MORNHNO3 | MOS3 -------------------------------------------------------------------------- | STOI 3 1 0 0 0 0 0 0 0 0 |STOI 3 1 0 0 0 0 0 0 0 0. EQUA MOS3PPT+4H2O=H2MOO4AQ+3H2SAQ |EQUA MOS3PPT+5H2O=HMOO4ION+3H2SAQ+H3OI |+ ON |ASID MOS3IN |ASID MOS3_S | MXYLENE ----------------------------------------------------------------------- | |ASID MXYLENE |ASNM C8H10-2 | N2 ---------------------------------------------------------------------------- | |ASID N2 |ASNM N2 | N2H4 -------------------------------------------------------------------------- | STOI 4 2 0 0 0 0 0 0 0 0 |STOI 4 2 0 0 0 0 0 0 0 0. |ASID N2H4 |ASNM H4N2 | N2H5ION ----------------------------------------------------------------------- | STOI 5 2 0 0 0 0 0 0 0 0 |STOI 5 2 0 0 0 0 0 0 0 0. |ASID N2H5+ |ASNM N2H5+
1 2 Page 100 | N2O --------------------------------------------------------------------------- | |ASID N2O |ASNM N2O | N2O4 -------------------------------------------------------------------------- | |ASID N2O4 |ASNM N2O4 | N2O5 -------------------------------------------------------------------------- | STOI 2 5 0 0 0 0 0 0 0 0 |STOI 2 5 0 0 0 0 0 0 0 0. |ASID N2O5 | NA2ADIPATE -------------------------------------------------------------------- | |ASID NA2ADIPA | NA2B10O.10H2O ----------------------------------------------------------------- | |ASID NA2B1W10 | NA2B10O.2H2O ------------------------------------------------------------------ | |ASID NA2B10W2 | NA2B10O16 --------------------------------------------------------------------- | |ASID NA2B1O16 | NA2B2O4 ----------------------------------------------------------------------- | |ASID NA2B2O4 | NA2B2O4.1H2O ------------------------------------------------------------------ | |ASID NA2B2OW1 | NA2B2O4.4H2O ------------------------------------------------------------------ | |ASID NA2B2OW4 | NA2B2O4.8H2O ------------------------------------------------------------------ | |ASID NA2B2OW8 | NA2B4O7 ----------------------------------------------------------------------- | |ASID NA2B4O7
1 2 Page 101 | NA2B4O7.10H2O ----------------------------------------------------------------- | |ASID NA2B4W10 | NA2B4O7.2H2O ------------------------------------------------------------------ | |ASID NA2B4OW2 | NA2B4O7.4H2O ------------------------------------------------------------------ | |ASID NA2B47W4 | NA2B4O7.5H2O ------------------------------------------------------------------ | |ASID NAB4O7W5 | NA2BO2CL.2H2O ----------------------------------------------------------------- | |ASID NA2BO2W2 | NA2C2O4 ----------------------------------------------------------------------- | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID NA2CO4-S | NA2CA5SO4 --------------------------------------------------------------------- | |ASID NA2CA5SO | NA2CA5SO4.3H2O ---------------------------------------------------------------- | STOI 6 2 5 27 6 0 0 0 0 0 |STOI 6 2 5 27 6 0 0 0 0 0. |ASID NA2CA5W3 | NA2CASO42 --------------------------------------------------------------------- | STOI 2 1 8 2 0 0 0 0 0 0 |STOI 2 1 8 2 0 0 0 0 0 0. |ASID NA2CAS42 |ASID NA2CAS-S | NA2CO3 ------------------------------------------------------------------------ | |ASID NA2CO3-S |ASNM NA2CO3 | NA2CO3.10H2O ------------------------------------------------------------------ | |ASID NACO3W10 |ASNM NA2CO3.10H2O
1 2 Page 102 | NA2CO3.1H2O ------------------------------------------------------------------- | |ASID NACO3W1 |ASNM NA2CO3.H2O | NA2CO3.7H2O ------------------------------------------------------------------- | |ASID NACO3W7 |ASNM NA2CO3.7H2O | NA2CTRTION -------------------------------------------------------------------- | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID NA2CTRT- | NA2HCITR ---------------------------------------------------------------------- | |ASID NA2HCITR | NA2HPO4 ----------------------------------------------------------------------- | |ASID NA2PO4-S | NA2HPO4.12H2O ----------------------------------------------------------------- | |ASID NA2BPW12 | NA2HPO4.2H2O ------------------------------------------------------------------ | |ASID NA2BPHW2 | NA2HPO4.7H2O ------------------------------------------------------------------ | |ASID NA2BPHW7 | NA2HPO4.8H2O ------------------------------------------------------------------ | STOI 17 2 12 1 0 0 0 0 0 0 |STOI 17 2 12 1 0 0 0 0 0 0. |ASID NA2HPOW8 | NA2IPHTHT --------------------------------------------------------------------- | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID NA2IPHTH | NA2MALATE --------------------------------------------------------------------- | STOI 2 0.5 0.5 0 0 0 0 0 0 0 |STOI 2 0.5 0.5 0 0 0 0 0 0 0. |ASID NA2MALAT
1 2 Page 103 | NA2MGCO32 --------------------------------------------------------------------- | STOI 2 2 6 1 0 0 0 0 0 0 |STOI 2 2 6 1 0 0 0 0 0 0. |ASID NA2MGCO3 |ASID NA2MGC-S | NA2MO2O7 ---------------------------------------------------------------------- | STOI 2 2 7 0 0 0 0 0 0 0 |STOI 2 2 7 0 0 0 0 0 0 0. **SO LEVEL 1 | GREF -2.058080E+06 | HREF -2.245020E+06 | SREF 250.369705 | VREF 9.392030E-05 | CPRE 230 | EQUA NA2MO2O7PPT+3H2O=2NAION+2MOO4ION+| + 2H3OION | CP1 230 0 0 0 0 | |ASID NA2MO2O7 | NA2MO2O7.6H2O ----------------------------------------------------------------- | |**SO LEVEL 1 |GREF -3.475446E+06 |HREF -4.085320E+06 |SREF 230.365097 |VREF 1.772240E-04 |CPRE 520.1521 |EQUA NA2MO2O7.6H2O=2NAION+2MOO4ION+3H2 |+ O+2H3OION |CP1 520.1521 0 0 0 0 |ASID NA2MO2W6 | NA2MO3O10 --------------------------------------------------------------------- | STOI 2 3 10 0 0 0 0 0 0 0 |STOI 2 3 10 0 0 0 0 0 0 0. **SO LEVEL 1 | GREF -2.722800E+06 | HREF -2.989160E+06 | SREF 320.108704 | VREF 1.299460E-04 | CPRE 300 | EQUA NA2MO3O10PPT+6H2O=2NAION+3MOO4ION| + +4H3OION | CP1 300 0 0 0 0 | |ASID NA2MO3OT | NA2MO3O10.7H2O ---------------------------------------------------------------- | GREF -4.353320E+06 |GREF -4.392137E+06 HREF -5.036790E+06 |HREF -5.143851E+06 SREF 552.759094 |SREF 323.855011 |ASID NA2MO3W7
1 2 Page 104 | NA2MO4O13 --------------------------------------------------------------------- | STOI 2 4 13 0 0 0 0 0 0 0 |STOI 2 4 13 0 0 0 0 0 0 0. **SO LEVEL 1 | GREF -3.425100E+06 | HREF -3.768500E+06 | SREF 397.847412 | VREF 1.579150E-04 | CPRE 300 | EQUA NA2MO4O13PPT+9H2O=2NAION+4MOO4ION| + +6H3OION | CP1 300 0 0 0 0 | |ASID NA2M4O13 | NA2MOO4 ----------------------------------------------------------------------- | GREF -1.350280E+06 |GREF -1.350908E+06 HREF -1.475870E+06 |HREF -1.509399E+06 SREF 120.0224 |SREF 9.66776 VREF 5.688180E-05 |VREF 5.688200E-05 |ASID NA2MOO4 |ASID NA2MOO-S |**AQ LEVEL 1 |GREF -1.360286E+06 |HREF -1.535587E+06 |SREF -46.711639 |CPRE 83.68 |HKF 0 0 0 0 138.515198 0 0 |EQUA NA2MOO4AQ=2NAION+MOO4ION |R_UQ 0.92 |Q_UQ 1.4 | NA2MOO4.10H2O ----------------------------------------------------------------- | GREF -3.731660E+06 |GREF -3.732087E+06 HREF -4.387480E+06 |HREF -4.421329E+06 SREF 672.520691 |SREF 560.397827 |ASID NA2MOW10 | NA2MOO4.2H2O ------------------------------------------------------------------ | GREF -1.833280E+06 |GREF -1.833611E+06 HREF -2.047520E+06 |HREF -2.096280E+06 SREF 288.862488 |SREF 126.428497 VREF 9.639380E-05 |VREF 9.639400E-05 |ASID NA2MOOW2 | NA2NO2OH ---------------------------------------------------------------------- | STOI 1 2 3 1 0 0 0 0 0 0 |STOI 1 2 3 1 0 0 0 0 0 0. GREF -6.799050E+05 |GREF -6.797054E+05 HREF -8.165870E+05 |HREF -8.170390E+05 SREF 112.757401 |SREF 110.5774 |ASID NA2NO2OH |ASID NA2NO2-S
1 2 Page 105 | NA2NO3OH ---------------------------------------------------------------------- | STOI 1 2 4 1 0 0 0 0 0 0 |STOI 1 2 4 1 0 0 0 0 0 0. GREF -7.517830E+05 |GREF -7.491368E+05 HREF -8.999000E+05 |HREF -8.872339E+05 SREF 176.920593 |SREF 210.522598 |ASID NA2NO3OH |ASID NA2NO3-S | NA2O -------------------------------------------------------------------------- | |ASID NA2O | NA2PUO5H3.2H2O ---------------------------------------------------------------- | GREF -2.378750E+06 |GREF -2.377141E+06 HREF -2.745980E+06 |HREF -2.744378E+06 |ASID NA2PUOW2 | NA2S -------------------------------------------------------------------------- | |ASID NA2S |ASID NA2S-S |ASNM NA2S | NA2S.0.5H2O ------------------------------------------------------------------- | STOI 2 1 0.5 1 0 0 0 0 0 0 |STOI 2 1 0.5 1 0 0 0 0 0 0. |ASID NA2SXW | NA2S.5H2O --------------------------------------------------------------------- | |ASID NA2SW5 | NA2S.9H2O --------------------------------------------------------------------- | |ASID NA2SW9 | NA2S2O3 ----------------------------------------------------------------------- | |ASID NAS2O3-S |ASNM NA2S2O3 | NA2S2O3.2H2O ------------------------------------------------------------------ | |ASID NA2SITW2 | NA2S2O3.5H2O ------------------------------------------------------------------ | |ASID NA2SITW5
1 2 Page 106 | NA2SIO3 ----------------------------------------------------------------------- | GREF -1.449840E+06 |GREF -1.450610E+06 HREF -1.562010E+06 |HREF -1.567205E+06 SREF 52.747768 |SREF 37.90395 |ASID NASIO3-S |ASNM NA2SIO3 | NA2SIO3.5H2O ------------------------------------------------------------------ | GREF -2.649970E+06 |GREF -2.650676E+06 HREF -3.059680E+06 |HREF -3.058604E+06 SREF 220.229004 |SREF 226.211502 |ASID NA2SIOW5 | NA2SIO3.9H2O ------------------------------------------------------------------ | GREF -3.605320E+06 |GREF -3.606206E+06 HREF -4.227390E+06 |HREF -4.230053E+06 SREF 440.303192 |SREF 434.364502 |ASID NA2SIOW9 | NA2SO3 ------------------------------------------------------------------------ | |ASID NA2SO3-S | NA2SO3.7H2O ------------------------------------------------------------------- | |ASID NA2SO3W7 | NA2SO4 ------------------------------------------------------------------------ | |ASID NA2SO4-S |ASNM NA2SO4 | NA2SO4.10H2O ------------------------------------------------------------------ | |ASID NA2STW10 | NA2SO4M ----------------------------------------------------------------------- | GREF -1.260270E+06 |GREF -1.262345E+06 HREF -1.367970E+06 |HREF -1.373080E+06 SREF 183.467102 |SREF 173.260696 |ASID NA2SOM-S | NA2TI3O7 ---------------------------------------------------------------------- | STOI 2 7 3 0 0 0 0 0 0 0 |STOI 2 7 3 0 0 0 0 0 0 0. |ASID NA2TI3-S
1 2 Page 107 | NA2TIO3 ----------------------------------------------------------------------- | STOI 2 3 1 0 0 0 0 0 0 0 |STOI 2 3 1 0 0 0 0 0 0 0. |ASID NA2TIO-S | NA2TPHTHT --------------------------------------------------------------------- | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID NA2TPHTH |ASID NA2TPH-S | NA3CITR ----------------------------------------------------------------------- | |ASID NA3CITR | NA3CITR.2H2O ------------------------------------------------------------------ | |ASID NA3CITW2 | NA3CITR.5.5H2O ---------------------------------------------------------------- | |ASID NA3CITW5 | NA3H3PO42 --------------------------------------------------------------------- | STOI 3 3 8 2 0 0 0 0 0 0 |STOI 3 3 8 2 0 0 0 0 0 0. |ASID NA3H3P42 |ASID NA3H3P-S | NA3HCO32 ---------------------------------------------------------------------- | |ASID NA3HCO32 |ASID NA3HCO-S | NA3HCO32.2H2O ----------------------------------------------------------------- | |ASID NA3HCOW2 | NA3HCOOH4 --------------------------------------------------------------------- | |ASID NA3HCOH4 |ASID NAH4CO-S | NA3HSIO4.5H2O ----------------------------------------------------------------- | GREF -3.048340E+06 |GREF -3.049000E+06 HREF -3.505320E+06 |HREF -3.502326E+06 SREF 280.772705 |SREF 293.0448 |ASID NA3HSIW5
1 2 Page 108 | NA3HSO42 ---------------------------------------------------------------------- | |ASID NA3HSO4 |ASID NA3SO4-S | NA3NO3OH2 --------------------------------------------------------------------- | STOI 2 3 5 1 0 0 0 0 0 0 |STOI 2 3 5 1 0 0 0 0 0 0. GREF -1.133050E+06 |GREF -1.132702E+06 HREF -1.330920E+06 |HREF -1.321797E+06 SREF 229.153 |SREF 258.587402 |ASID NA3NO3OH |ASID NA3NO3-S | NA3NO3SO4 --------------------------------------------------------------------- | STOI 3 7 1 1 0 0 0 0 0 0 |STOI 3 7 1 1 0 0 0 0 0 0. |ASID NANO3SO4 | NA3NO3SO4.H2O ----------------------------------------------------------------- | |ASID NA3NO3W1 | NA3OHSO4 ---------------------------------------------------------------------- | STOI 1 3 5 1 0 0 0 0 0 0 |STOI 1 3 5 1 0 0 0 0 0 0. GREF -1.673090E+06 |GREF -1.681299E+06 HREF -1.873990E+06 |HREF -1.918050E+06 SREF 89.910393 |SREF -30.326469 VREF 0 |VREF 1.000000E-06 CPRE 598.575623 |CPRE 823.294006 HKF 0 0 0 0 143.063004 0 0 |HKF 0 0 0 0 196.772003 0 0 |ASID NA3OHSO4 | NA3PO4 ------------------------------------------------------------------------ | GREF -1.801850E+06 |GREF -1.799887E+06 HREF -1.954330E+06 |HREF -1.949865E+06 SREF 93.591057 |SREF 101.971603 |ASID NA3PO4-S |ASNM NA3PO4 | NA3PO4.1H2O ------------------------------------------------------------------- | GREF -2.041400E+06 |GREF -2.040687E+06 HREF -2.241850E+06 |HREF -2.240135E+06 SREF 165.722397 |SREF 169.109299 |ASID NA3PO4W1
1 2 Page 109 | NA3PO4.6H2O ------------------------------------------------------------------- | GREF -3.241190E+06 |GREF -3.242585E+06 HREF -3.710880E+06 |HREF -3.716672E+06 SREF 427.947906 |SREF 413.201813 |ASID NA3PO4W6 | NA3PO4.8H2O ------------------------------------------------------------------- | GREF -3.719460E+06 |GREF -3.721015E+06 HREF -4.304890E+06 |HREF -4.310583E+06 SREF 505.828888 |SREF 491.971497 |ASID NA3PO4W8 | NA3SO4F ----------------------------------------------------------------------- | |ASID NA3SO4F |ASID NA3SOF-S | NA4B102O.7H2O ----------------------------------------------------------------- | |ASID NA4B10W7 | NA4B10O.5H2O ------------------------------------------------------------------ | |ASID NA4B10W5 | NA4B2O5.1H2O ------------------------------------------------------------------ | |ASID NA4B2OW1 | NA4CASO43 --------------------------------------------------------------------- | |ASID NA4CASO4 | NA4CASO43.2H2O ---------------------------------------------------------------- | STOI 4 4 1 14 3 0 0 0 0 0 |STOI 4 4 1 14 3 0 0 0 0 0. |ASID NA4CASW2 | NA4P2O7 ----------------------------------------------------------------------- | |ASID NA4P2O7 | NA5H3CO34 --------------------------------------------------------------------- | |ASID NA5H3C34 |ASID NA5H3C-S | NA5P3O10 ---------------------------------------------------------------------- | |ASID NA5P3O10
1 2 Page 110 | NA6MO7O24 --------------------------------------------------------------------- | STOI 6 7 24 0 0 0 0 0 0 0 |STOI 6 7 24 0 0 0 0 0 0 0. |ASID NA6M7O24 | NA6SO42CO3 -------------------------------------------------------------------- | |ASID NASCO3-S | NA7MO7O24OH ------------------------------------------------------------------- | STOI 7 7 25 1 0 0 0 0 0 0 |STOI 7 7 25 1 0 0 0 0 0 0. |ASID NA7O24OH | NA8OH2SO43 -------------------------------------------------------------------- | STOI 2 8 14 3 0 0 0 0 0 0 |STOI 2 8 14 3 0 0 0 0 0 0. GREF -4.579800E+06 |GREF -4.577911E+06 HREF -5.017050E+06 |HREF -5.007583E+06 SREF 605.646606 |SREF 631.035095 |ASID NA8OHO43 |ASID NA8OH2-S | NAACET ------------------------------------------------------------------------ | GREF -6.142490E+05 |GREF -6.133493E+05 HREF -7.138070E+05 |HREF -7.090123E+05 SREF 129.746704 |SREF 142.813202 |ASID NAACET |ASID NAACET-S | NAACET.3H2O ------------------------------------------------------------------- | GREF -1.334040E+06 |GREF -1.334185E+06 HREF -1.600810E+06 |HREF -1.602158E+06 SREF 268.203613 |SREF 264.149689 |ASID NAACETW3 | NAACETMEOH -------------------------------------------------------------------- | |ASID NAACETME |ASID NAACME-S | NAALCO3OH2 -------------------------------------------------------------------- | |ASID NAALCO-S | NAALO2 ------------------------------------------------------------------------ | |ASID NAALO2
1 2 Page 111 | NAALO2.2.5H2O ----------------------------------------------------------------- | GREF -2.755170E+06 |GREF -2.758814E+06 HREF -3.045310E+06 |HREF -3.021271E+06 SREF 178.876602 |SREF 271.706696 |ASID NAALO2W2 | NAALOH4 ----------------------------------------------------------------------- | STOI 1 1 4 4 0 0 0 0 0 0 |STOI 1 1 4 4 0 0 0 0 0 0. |ASID NAALOH4 | NABH4 ------------------------------------------------------------------------- | MATC 3 485 1 0 0 0 0 0 0 0 |MATC 3 64 197 0 0 0 0 0 0 0 STOI 1 1 4 0 0 0 0 0 0 0 |STOI 1 1 4 0 0 0 0 0 0 0. GREF -1.238970E+05 |GREF -1.194828E+05 HREF -1.886100E+05 |HREF -2.124999E+05 SREF 101.290001 |SREF 6.358525 VREF 3.502950E-05 |VREF 3.503000E-05 GREF -1.152250E+05 |GREF -1.184994E+05 HREF -1.300770E+05 |HREF -1.282467E+05 SREF 268.524811 |SREF 285.647888 VREF 3.502950E-05 |VREF 3.503000E-05 |ASID NABH4 |ASID NABH4-S | NABH4.2H2O -------------------------------------------------------------------- | MATC 3 485 1 21 0 0 0 0 0 0 |MATC 3 64 197 21 1 0 0 0 0 0 STOI 1 1 8 2 0 0 0 0 0 0 |STOI 1 1 4 2 4 0 0 0 0 0. GREF -6.053420E+05 |GREF -6.015215E+05 HREF -7.764380E+05 |HREF -7.985582E+05 SREF 210.658203 |SREF 123.6511 VREF 7.102950E-05 |VREF 7.102900E-05 |ASID NABH4W2 | NABO2 ------------------------------------------------------------------------- | |ASID NABO2 | NABOH4 ------------------------------------------------------------------------ | STOI 1 4 4 1 0 0 0 0 0 0 |STOI 1 4 4 1 0 0 0 0 0 0. |ASID NABOH4 | NABR -------------------------------------------------------------------------- | |ASID NABR
1 2 Page 112 | NACF3SO3 ---------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID NACF3SIN | NACL -------------------------------------------------------------------------- | GREF -3.843240E+05 |GREF -3.842243E+05 HREF -4.117640E+05 |HREF -4.117056E+05 SREF 70.763992 |SREF 70.627182 |ASID NACL-S |ASNM NACL | NACL.2H2O --------------------------------------------------------------------- | STOI 4 1 2 1 0 0 0 0 0 0 |STOI 4 1 2 1 0 0 0 0 0 0. GREF -8.588450E+05 |GREF -8.587078E+05 HREF -9.972730E+05 |HREF -9.973610E+05 SREF 164.613205 |SREF 163.855103 |ASID NACLW2 | NACLGLUC2 --------------------------------------------------------------------- | STOI 1 1 2 8 0 0 0 0 0 0 |STOI 1 1 2 8 0 0 0 0 0 0. |ASID NACLGLU2 | NACLGLUC2.H2O ----------------------------------------------------------------- | STOI 10 1 1 1 2 0 0 0 0 0 |STOI 10 1 1 1 2 0 0 0 0 0. |ASID NACLGLUW | NACLO4 ------------------------------------------------------------------------ | |ASID NACLO4 |ASID NACLO4-S | NACLO4.1H2O ------------------------------------------------------------------- | |ASID NACLO4W1 | NACLO4.2H2O ------------------------------------------------------------------- | STOI 1 4 1 6 0 0 0 0 0 0 |STOI 1 4 1 6 0 0 0 0 0 0. |ASID NACLO42W | NACN -------------------------------------------------------------------------- | |ASID NACN-S |ASNM NACN
1 2 Page 113 | NACN.2H2O --------------------------------------------------------------------- | |ASID NACNW2 | NACOOH ------------------------------------------------------------------------ | |ASID NACOOH |ASID NACOOH-S |ASNM NACHO2 | NACOOH.2H2O ------------------------------------------------------------------- | |ASID NACOOHW2 | NACOOH.3H2O ------------------------------------------------------------------- | |ASID NACOOHW3 | NACOOHMEOH -------------------------------------------------------------------- | |ASID NACOOHME |ASID NACOME-S | NACTRTION --------------------------------------------------------------------- | |ASID NACTRT-2 | NADEG ------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID NADEG | NAEL -------------------------------------------------------------------------- | |ASID NAEL-S |ASNM NA | NAF --------------------------------------------------------------------------- | |ASID NAF |ASNM NAF |ASID NAF-S |ASNM NAF | NAFEO2 ------------------------------------------------------------------------ | |ASID NAFEO2-S
1 2 Page 114 | NAFEPO4 ----------------------------------------------------------------------- | STOI 1 1 1 4 0 0 0 0 0 0 |STOI 1 1 1 4 0 0 0 0 0 0. |ASID NAFEPO4 |ASID NAFEPO-S | NAFPO4 ------------------------------------------------------------------------ | |ASID NAFPO4 | NAFPO4.19H2O ------------------------------------------------------------------ | GREF -8.709560E+06 |GREF -8.714071E+06 HREF -1.011100E+07 |HREF -1.011141E+07 SREF 1091.133057 |SREF 1104.753052 |ASID NFPO4W19 | NAGLYCOL2ION ------------------------------------------------------------------ | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID NAGLYC2- | NAGLYCOLAT -------------------------------------------------------------------- | |ASID NAGLYCOL | NAH2CITR ---------------------------------------------------------------------- | |ASID NAH2CITR |ASID NAH2CI-S | NAH2COOH3 --------------------------------------------------------------------- | |ASID NAH2COH3 |ASID NAH2CO-S | NAH2PO4 ----------------------------------------------------------------------- | |ASID NAHPO4-S | NAH2PO4.1H2O ------------------------------------------------------------------ | |ASID NABPHW1 | NAH2PO4.2H2O ------------------------------------------------------------------ | |ASID NABPHW2 | NAH3F4 ------------------------------------------------------------------------ | |ASID NAH3F4 |ASID NAH3F4-S
1 2 Page 115 | NAH3SO42 ---------------------------------------------------------------------- | STOI 1 3 2 8 0 0 0 0 0 0 |STOI 1 3 2 8 0 0 0 0 0 0. |ASID NAH3SO-S | NAH3SO42.1H2O ----------------------------------------------------------------- | STOI 1 5 2 9 0 0 0 0 0 0 |STOI 1 5 2 9 0 0 0 0 0 0. |ASID NAH3SOW1 | NAH4B5O10 --------------------------------------------------------------------- | |ASID NAH4BO10 | NAH4F5 ------------------------------------------------------------------------ | |ASID NAH4F5 |ASID NAH4F5-S | NAH5PO42 ---------------------------------------------------------------------- | STOI 5 1 8 2 0 0 0 0 0 0 |STOI 5 1 8 2 0 0 0 0 0 0. |ASID NAH5PO42 |ASID NAH5PO-S | NAH5SO43 ---------------------------------------------------------------------- | STOI 1 5 3 12 0 0 0 0 0 0 |STOI 1 5 3 12 0 0 0 0 0 0. |ASID NAH5SO-S | NAHADIPATE -------------------------------------------------------------------- | |ASID NAHADIPA | NAHC2O4 ----------------------------------------------------------------------- | STOI 1 1 1 0 0 0 0 0 0 0 |STOI 1 1 1 0 0 0 0 0 0 0. |ASID NAHC2O4 | NAHC2O4.H2O ------------------------------------------------------------------- | STOI 1 1 3 1 0 0 0 0 0 0 |STOI 1 1 3 1 0 0 0 0 0 0. |ASID NAHC2O4W | NAHCO3 ------------------------------------------------------------------------ | |ASID NAHCO3 |ASNM NAHCO3 |ASID NAHCO3-S |ASNM NAHCO3
1 2 Page 116 | NAHCOOH2 ---------------------------------------------------------------------- | |ASID NAHCOOH2 |ASID NAHCOO-S | NAHF2 ------------------------------------------------------------------------- | |ASID NAHF2 |ASID NAHF2-S | NAHMALATE --------------------------------------------------------------------- | STOI 1 1 0.5 0.5 0 0 0 0 0 0 |STOI 1 1 0.5 0.5 0 0 0 0 0 0. |ASID NAHMALAT | NAHPO43.2H2O ------------------------------------------------------------------ | STOI 9 4 14 3 0 0 0 0 0 0 |STOI 9 4 14 3 0 0 0 0 0 0. |ASID NAHPO4W2 | NAHS -------------------------------------------------------------------------- | |ASID NAHSIN | NAHSO4 ------------------------------------------------------------------------ | |ASID NAHSO4 |ASID NAHSO4-S | NAHSO4.1H2O ------------------------------------------------------------------- | STOI 1 3 1 5 0 0 0 0 0 0 |STOI 1 3 1 5 0 0 0 0 0 0. |ASID NAHSO4W1 | NAION ------------------------------------------------------------------------- | |ASID NA+ |ASNM NA+ | NAKNO32 ----------------------------------------------------------------------- | STOI 1 1 2 6 0 0 0 0 0 0 |STOI 1 1 2 6 0 0 0 0 0 0. |ASID NAKNO32 |ASID NAKNO3-S | NAMEG ------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID NAMEG
1 2 Page 117 | NANICOT ----------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID NANICOT | NANICOT.05H2O ----------------------------------------------------------------- | STOI 1 1 1 0.5 0 0 0 0 0 0 |STOI 1 1 1 0.5 0 0 0 0 0 0. |ASID NANICOW5 | NANICOT.15H2O ----------------------------------------------------------------- | STOI 1 1 3 1.5 0 0 0 0 0 0 |STOI 1 1 3 1.5 0 0 0 0 0 0. |ASID NANICOW1 | NANO2 ------------------------------------------------------------------------- | |ASID NANO2-S |ASNM NANO2 | NANO2.0.5H2O ------------------------------------------------------------------ | STOI 1 1 2.5 1 0 0 0 0 0 0 |STOI 1 1 2.5 1 0 0 0 0 0 0. |ASID NANO2W5 | NANO3 ------------------------------------------------------------------------- | |ASID NANO3 |ASNM NANO3 |ASID NANO3-S |ASNM NANO3 | NAOH -------------------------------------------------------------------------- | GREF -3.769960E+05 |GREF -3.810920E+05 HREF -4.239150E+05 |HREF -4.316090E+05 SREF 61.710651 |SREF 49.633121 |ASID NAOH |ASNM NAOH |ASID NAOH-S |ASNM NAOH |**AQ LEVEL 1 |GREF -3.848930E+05 |HREF -4.010910E+05 |SREF 164.745804 |VREF 3.500000E-06 |CPRE -13.3888 |HKF 1.43137 0 0 0 0 0 0 |HTYP 2 |EQUA NAOHAQ=NAION+OHION |R_UQ 0.92 |Q_UQ 1.4
1 2 Page 118 | NAOH.1H2O --------------------------------------------------------------------- | GREF -6.296410E+05 |GREF -6.296540E+05 HREF -7.402630E+05 |HREF -7.345720E+05 SREF 81.094711 |SREF 100.230202 VREF 2.000000E-05 |VREF 3.170000E-05 |ASID NAOHW1 | NAOH.2H2O --------------------------------------------------------------------- | STOI 5 1 3 0 0 0 0 0 0 0 |STOI 5 1 3 0 0 0 0 0 0 0. GREF -8.726710E+05 |GREF -8.727330E+05 HREF -1.041440E+06 |HREF -1.042490E+06 SREF 119.129799 |SREF 115.8144 VREF 4.000000E-05 |VREF 4.500000E-05 |ASID NAOHW2 | NAOH.3.5H2O ------------------------------------------------------------------- | STOI 8 1 4.5 0 0 0 0 0 0 0 |STOI 8 1 4.5 0 0 0 0 0 0 0. GREF -1.235610E+06 |GREF -1.236120E+06 HREF -1.482460E+06 |HREF -1.485370E+06 SREF 206.801697 |SREF 198.748795 VREF 5.000000E-05 |VREF 7.000000E-05 |ASID NAOHW35 | NAOH.4H2O --------------------------------------------------------------------- | STOI 9 1 5 0 0 0 0 0 0 0 |STOI 9 1 5 0 0 0 0 0 0 0. GREF -1.355090E+06 |GREF -1.355580E+06 HREF -1.628890E+06 |HREF -1.632730E+06 SREF 232.968002 |SREF 221.682999 VREF 5.500000E-05 |VREF 8.000000E-05 |ASID NAOHW4 | NAOH.5H2O --------------------------------------------------------------------- | STOI 11 1 6 0 0 0 0 0 0 0 |STOI 11 1 6 0 0 0 0 0 0 0. GREF -1.591770E+06 |GREF -1.592450E+06 HREF -1.927310E+06 |HREF -1.929950E+06 SREF 258.909698 |SREF 252.345001 VREF 6.500000E-05 |VREF 1.100000E-04 |ASID NAOHW5 | NAOH.7H2O --------------------------------------------------------------------- | STOI 15 1 8 0 0 0 0 0 0 0 |STOI 15 1 8 0 0 0 0 0 0 0. GREF -2.067040E+06 |GREF -2.067590E+06 HREF -2.508250E+06 |HREF -2.511460E+06 SREF 370.559296 |SREF 361.652008 VREF 8.000000E-05 |VREF 1.700000E-04 |ASID NAOHW7
1 2 Page 119 | NAOHMOO36 --------------------------------------------------------------------- | |ASID NAOHMO36 | NAOHMOO36.5H2O ---------------------------------------------------------------- | GREF -5.651040E+06 |GREF -5.660588E+06 HREF -6.457700E+06 |HREF -6.648757E+06 SREF 695.721375 |SREF 86.965172 |ASID NAHM36W5 | NAPHOH ------------------------------------------------------------------------ | |ASID NAPHOH | NAPHOH.12H2O ------------------------------------------------------------------ | GREF -4.777070E+06 |GREF -4.778417E+06 HREF -5.599270E+06 |HREF -5.593962E+06 SREF 698.665222 |SREF 721.007812 |ASID NAPOHW12 | NAPHTHALEN -------------------------------------------------------------------- | |ASID NAPHTHLN |ASNM C10H8 |ASID NAPHTH-S | NAPUVO2OH2 -------------------------------------------------------------------- | GREF -1.494490E+06 |GREF -1.495213E+06 HREF -1.639520E+06 |HREF -1.640245E+06 |ASID NAPUVO-S | NASGEL ------------------------------------------------------------------------ | |ASID NASGEL | NATEG ------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID NATEG | NB2O5 ------------------------------------------------------------------------- | |ASID NB2O5-S | NBEL -------------------------------------------------------------------------- | |ASID NBEL-S
1 2 Page 120 | NBO3ION ----------------------------------------------------------------------- | |ASID NBO3- | NCF3SO22ION ------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID NCF3O22- | NDEL -------------------------------------------------------------------------- | |ASID NDEL-S | NDION ------------------------------------------------------------------------- | |ASID ND+3 |ASNM ND+3 | NE ---------------------------------------------------------------------------- | |ASID NE |ASNM NE | NEM --------------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID NEM | NEMHION ----------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID NEMH+1 | NEOPENTANE -------------------------------------------------------------------- | |ASID NPENTAN |ASNM C5H12-3 | NH2CO2ION --------------------------------------------------------------------- | |ASID NH2CO2- |ASNM NH2COO- | NH2SO3ION --------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID NH2SO3- | NH3 --------------------------------------------------------------------------- | |ASID NH3 |ASNM H3N
1 2 Page 121 | NH3OH2SO4 --------------------------------------------------------------------- | STOI 8 6 2 1 0 0 0 0 0 0 |STOI 8 6 2 1 0 0 0 0 0 0. |ASID NH3OH2-S | NH3SO3 ------------------------------------------------------------------------ | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID NH3SO3 |ASID NH3SO3-S | NH42CO3 ----------------------------------------------------------------------- | |ASID NH42CO3 | NH42CO3.1H2O ------------------------------------------------------------------ | |ASID NH42COW1 | NH42MO2O7 --------------------------------------------------------------------- | STOI 2 7 2 8 0 0 0 0 0 0 |STOI 2 7 2 8 0 0 0 0 0 0. GREF -1.709860E+06 |GREF -1.685720E+06 HREF -2.024380E+06 |HREF -1.999170E+06 SREF 433.449799 |SREF 436.986603 |ASID NH42MO27 |ASID NH42MO-S | NH42MOO4 ---------------------------------------------------------------------- | STOI 1 4 2 8 0 0 0 0 0 0 |STOI 1 4 2 8 0 0 0 0 0 0. GREF -1.031930E+06 |GREF -9.921770E+05 HREF -1.268030E+06 |HREF -1.217350E+06 SREF 360.349915 |SREF 397.006805 GREF -1.034910E+06 |GREF -9.940000E+05 HREF -1.264220E+06 |HREF -1.205610E+06 SREF 383.099213 |SREF 442.480194 HKF 2.02748 0 0 0 55.689201 0 0 |HKF 2.02748 0 0 0 31.67705 0 0 |ASID NH42MOO4 |ASID NH42M4-S | NH42S2O3 ---------------------------------------------------------------------- | STOI 8 2 3 2 0 0 0 0 0 0 |STOI 8 2 3 2 0 0 0 0 0 0. |ASID NH42S2-S | NH42SO4 ----------------------------------------------------------------------- | |ASID NH4SO4-S |ASNM (NH4)2SO4
1 2 Page 122 | NH43HSO42 --------------------------------------------------------------------- | STOI 13 3 8 2 0 0 0 0 0 0 |STOI 13 3 8 2 0 0 0 0 0 0. |ASID NH43HSO4 |ASID NH43HS-S | NH43NO3SO4 -------------------------------------------------------------------- | STOI 12 3 7 1 1 0 0 0 0 0 |STOI 12 3 7 1 1 0 0 0 0 0. |ASID NH43NO3S |ASID NH43NO-S | NH44NO3SO4 -------------------------------------------------------------------- | STOI 16 4 10 1 2 0 0 0 0 0 |STOI 16 4 10 1 2 0 0 0 0 0. |ASID NH44NO3S |ASID NH44NO-S | NH45NO3SO4 -------------------------------------------------------------------- | STOI 20 5 13 1 3 0 0 0 0 0 |STOI 20 5 13 1 3 0 0 0 0 0. |ASID NH45NO3S |ASID NH45NO-S | NH46MO7.4H2O ------------------------------------------------------------------ | STOI 7 28 6 32 0 0 0 0 0 0 |STOI 7 28 6 32 0 0 0 0 0 0. GREF -6.754900E+06 |GREF -6.697250E+06 HREF -7.973750E+06 |HREF -7.926030E+06 SREF 1645.223999 |SREF 1611.920044 |ASID NH46MOW4 | NH46MO8.4H2O ------------------------------------------------------------------ | STOI 8 31 6 32 0 0 0 0 0 0 |STOI 8 31 6 32 0 0 0 0 0 0. GREF -7.429430E+06 |GREF -7.383570E+06 HREF -8.728940E+06 |HREF -8.702990E+06 SREF 1710.817017 |SREF 1644.053955 |ASID NH46M48W | NH4CL ------------------------------------------------------------------------- | |ASID NH4CL-S |ASNM NH4CL | NH4CLB ------------------------------------------------------------------------ | CP1 51.700169 5.906832E-02 0 |CP1 51.700169 5.906832E-02 0 + 3.938910E-05 0 |+ 3.938900E-05 0 |ASID NH4CLB |ASID NH4CLB-S
1 2 Page 123 | NH4CO2NH2 --------------------------------------------------------------------- | |ASID NH4CO2NH |ASID NH4CO2-S | NH4F -------------------------------------------------------------------------- | |ASID NH4F-S |ASNM NH4F | NH4F.H2O ---------------------------------------------------------------------- | STOI 1 1 1 6 0 0 0 0 0 0 |STOI 1 1 1 6 0 0 0 0 0 0. |ASID NH4FW1 | NH4H2NO33 --------------------------------------------------------------------- | STOI 6 1 9 3 0 0 0 0 0 0 |STOI 6 1 9 3 0 0 0 0 0 0. |ASID NH4H2N33 |ASID NH4H2N-S | NH4H3SO42 --------------------------------------------------------------------- | STOI 7 1 8 2 0 0 0 0 0 0 |STOI 7 1 8 2 0 0 0 0 0 0. |ASID NH4H3S42 |ASID NH4H3S-S | NH4HCO3 ----------------------------------------------------------------------- | |ASID NH4HCO-S | NH4HF2 ------------------------------------------------------------------------ | |ASID NH4HF2 | NH4HMOO4 ---------------------------------------------------------------------- | STOI 1 4 1 5 0 0 0 0 0 0 |STOI 1 4 1 5 0 0 0 0 0 0. **AQ LEVEL 1 | GREF -9.723650E+05 | HREF -1.145820E+06 | SREF 278.922211 | VREF 1.000000E-06 | CPRE 0 | HKF 0 0 0 0 0 0 0 | EQUA NH4HMOO4AQ=NH4ION+HMOO4ION | R_UQ 0.92 | Q_UQ 1.4 | |ASID NH4HMOO4
1 2 Page 124 | NH4HNO32 ---------------------------------------------------------------------- | STOI 5 1 6 2 0 0 0 0 0 0 |STOI 5 1 6 2 0 0 0 0 0 0. |ASID NH4HNO32 |ASID NH4HNO-S | NH4HNO3SO4 -------------------------------------------------------------------- | STOI 9 2 7 1 1 0 0 0 0 0 |STOI 9 2 7 1 1 0 0 0 0 0. |ASID NH4HNO3S |ASID NH4HN4-S | NH4HS ------------------------------------------------------------------------- | |ASID NH4HS-S |ASNM NH4HS | NH4HSO4 ----------------------------------------------------------------------- | STOI 5 1 4 1 0 0 0 0 0 0 |STOI 5 1 4 1 0 0 0 0 0 0. |ASID NH4HSO4 |ASID NH4HSO-S | NH4ION ------------------------------------------------------------------------ | |ASID NH4+ |ASNM NH4+ | NH4NISO4 ---------------------------------------------------------------------- | |ASID NH4NISO4 | NH4NISO4.6H2O ----------------------------------------------------------------- | |ASID NH4NIS6W | NH4NO3 ------------------------------------------------------------------------ | |ASID NH4NO3 |ASID NH4NO3-S |ASNM NH4NO3 | NH4OCN ------------------------------------------------------------------------ | STOI 2 4 1 1 0 0 0 0 0 0 |STOI 2 4 1 1 0 0 0 0 0 0. |ASID NH4OCN | NH4OH ------------------------------------------------------------------------- | |ASID NH4OHIN |ASNM NH4OH
1 2 Page 125 | NH4SO3NH2 --------------------------------------------------------------------- | STOI 4 1 1 0 0 0 0 0 0 0 |STOI 4 1 1 0 0 0 0 0 0 0. |ASID NH4SO3N |ASID NH4SON-S | NH4VO3 ------------------------------------------------------------------------ | |ASID NH4VO3-S | NI2FEBO5 ---------------------------------------------------------------------- | STOI 2 1 1 5 0 0 0 0 0 0 |STOI 2 1 1 5 0 0 0 0 0 0. |ASID NI2FEBO5 |ASID NI2FEB-S | NI2OHION ---------------------------------------------------------------------- | STOI 2 1 1 0 0 0 0 0 0 0 |STOI 2 1 1 0 0 0 0 0 0 0. |ASID NI2OH+3 | NI4OH4ION --------------------------------------------------------------------- | STOI 4 4 4 0 0 0 0 0 0 0 |STOI 4 4 4 0 0 0 0 0 0 0. |ASID NI4OH4+4 | NIACRYLATE2 ------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID NIYLATE2 | NIACRYLATION ------------------------------------------------------------------ | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID NIRYLAT+ | NICL2 ------------------------------------------------------------------------- | |ASID NICL2 |ASNM NICL2 | NICL2.2H2O -------------------------------------------------------------------- | |ASID NICL2W2 | NICL2.4H2O -------------------------------------------------------------------- | |ASID NICL2W4 | NICL2.6H2O -------------------------------------------------------------------- | |ASID NICL2W6
1 2 Page 126 | NICL2.7H2O -------------------------------------------------------------------- | |ASID NICL2W7 | NICLION ----------------------------------------------------------------------- | |ASID NICL+ | NICLO42 ----------------------------------------------------------------------- | STOI 1 8 2 0 0 0 0 0 0 0 |STOI 1 8 2 0 0 0 0 0 0 0. |ASID NICLO42 | NICOTACDION ------------------------------------------------------------------- | |ASID NICOTAD- | NICOTHCL ---------------------------------------------------------------------- | STOI 2 1 1 0 0 0 0 0 0 0 |STOI 2 1 1 0 0 0 0 0 0 0. |ASID NICOTHCL |ASID NICOTH-S | NICR2O4 ----------------------------------------------------------------------- | STOI 2 1 4 0 0 0 0 0 0 0 |STOI 2 1 4 0 0 0 0 0 0 0. |ASID NICR2O-S | NIEL -------------------------------------------------------------------------- | |ASID NIEL-S |ASNM NI | NIFE2O4 ----------------------------------------------------------------------- | |ASID NIFE2O4 |ASID NIFE2O-S | NIH2S2 ------------------------------------------------------------------------ | |ASID NIH2S2 | NIHS2ION ---------------------------------------------------------------------- | |ASID NIHS2- | NIHSION ----------------------------------------------------------------------- | |ASID NIHS+
1 2 Page 127 | NIION ------------------------------------------------------------------------- | |ASID NI+2 |ASNM NI+2 | NIMOO4 ------------------------------------------------------------------------ | GREF -9.212000E+05 |GREF -9.356763E+05 HREF -1.026000E+06 |HREF -1.024888E+06 SREF 118 |SREF 169.297501 |ASID NIMOO4 |ASID NIMOO4-S |**AQ LEVEL 1 |GREF -9.174868E+05 |HREF -1.043013E+06 |SREF 47.501621 |CPRE 110.875999 |EQUA NIMOO4AQ=NIION+MOO4ION |R_UQ 0.92 |Q_UQ 1.4 | NIMORPH2ION ------------------------------------------------------------------- | STOI 1 2 2 0 0 0 0 0 0 0 |STOI 1 2 2 0 0 0 0 0 0 0. |ASID NIMOH2+2 | NIMORPHION -------------------------------------------------------------------- | STOI 1 1 1 0 0 0 0 0 0 0 |STOI 1 1 1 0 0 0 0 0 0 0. |ASID NIMOPH+2 | NINH32ION --------------------------------------------------------------------- | |ASID NINH32+2 |ASNM NI(NH3)2+2 | NINH33ION --------------------------------------------------------------------- | |ASID NINH33+2 | NINH34ION --------------------------------------------------------------------- | |ASID NINH34+2 | NINH35ION --------------------------------------------------------------------- | |ASID NINH35+2 | NINH36ION --------------------------------------------------------------------- | |ASID NINH36+2 |ASNM NI(NH3)6+2
1 2 Page 128 | NINH3ION ---------------------------------------------------------------------- | |ASID NINH3+2 | NINO32 ------------------------------------------------------------------------ | |ASID NINO32 | NINO32.2H2O ------------------------------------------------------------------- | |ASID NINO32W2 | NINO32.4H2O ------------------------------------------------------------------- | |ASID NINO32W4 | NINO32.6H2O ------------------------------------------------------------------- | |ASID NINO32W6 | NINO32.9H2O ------------------------------------------------------------------- | |ASID NINO32W9 | NINO3ION ---------------------------------------------------------------------- | |ASID NINO3+ | NIO --------------------------------------------------------------------------- | |ASID NIO-S |ASNM NIO-B | NIOH2 ------------------------------------------------------------------------- | |ASID NIOH2 |ASID NIOH2-S | NIOH2HPO4ION ------------------------------------------------------------------ | STOI 1 6 3 1 0 0 0 0 0 0 |STOI 1 6 3 1 0 0 0 0 0 0. |ASID NIHPO4-2 | NIOH3H2PO4ION ----------------------------------------------------------------- | STOI 1 7 5 1 0 0 0 0 0 0 |STOI 1 7 5 1 0 0 0 0 0 0. |ASID NI2PO4-2 | NIOH3ION ---------------------------------------------------------------------- | |ASID NIOH3-
1 2 Page 129 | NIOH4ION ---------------------------------------------------------------------- | STOI 1 4 4 0 0 0 0 0 0 0 |STOI 1 4 4 0 0 0 0 0 0 0. |ASID NIOH4-2 | NIOHION ----------------------------------------------------------------------- | |ASID NIOH+ |ASNM NIOH+ | NIS --------------------------------------------------------------------------- | |ASID NIS |ASID NIS-S | NIS2 -------------------------------------------------------------------------- | |ASID NIS2-S | NIS2ION ----------------------------------------------------------------------- | |ASID NIS2-2 | NISO4 ------------------------------------------------------------------------- | |ASID NISO4 |ASNM NISO4 |ASID NISO4-S | NISO4.1H2O -------------------------------------------------------------------- | |ASID NISO4W1 | NISO4.6H2O -------------------------------------------------------------------- | |ASID NISO4W6 | NISO4.7H2O -------------------------------------------------------------------- | |ASID NISO4W7 | NISO4NH35 --------------------------------------------------------------------- | STOI 1 5 15 4 1 0 0 0 0 0 |STOI 1 5 15 4 1 0 0 0 0 0. |ASID NISO4N35 | NISO4NH35.1H2O ---------------------------------------------------------------- | STOI 17 1 5 1 5 0 0 0 0 0 |STOI 17 1 5 1 5 0 0 0 0 0. |ASID NISO4N1W
1 2 Page 130 | NISO4NH35.3H2O ---------------------------------------------------------------- | STOI 21 1 7 1 5 0 0 0 0 0 |STOI 21 1 7 1 5 0 0 0 0 0. |ASID NISO4N3W | NITIO3 ------------------------------------------------------------------------ | STOI 1 3 1 0 0 0 0 0 0 0 |STOI 1 3 1 0 0 0 0 0 0 0. |ASID NITIO3-S | NMM --------------------------------------------------------------------------- | |ASID NMM | NMMHION ----------------------------------------------------------------------- | |ASID NMMH+1 | NNM2ACEAMD -------------------------------------------------------------------- | |ASID NNM2ACAM |ASNM C4H9NO-D0 | NO ---------------------------------------------------------------------------- | LDEN 5.246 0.3044 180.149994 0.242 |LDEN 0 0 0 0 CP -2830.199951 73.112999 -0.62556 |CP 0 0 0 0 0 0 0 + 1.818400E-03 0 | |ASID NO |ASNM NO | NO2 --------------------------------------------------------------------------- | |ASID NO2 |ASNM NO2 | NO2ION ------------------------------------------------------------------------ | |ASID NO2- |ASNM NO2- | NO3ION ------------------------------------------------------------------------ | |ASID NO3- |ASNM NO3- | NONACOSAN --------------------------------------------------------------------- | |ASID NONACOSA
1 2 Page 131 | NPIIIION ---------------------------------------------------------------------- | |ASID NPIII+3 | NPIIIOH3 ---------------------------------------------------------------------- | |ASID NPIIIOH3 | NPIIIOHION -------------------------------------------------------------------- | |ASID NPIIOH+2 | NPIVION ----------------------------------------------------------------------- | |ASID NPIV+4 | NPIVOH2ION -------------------------------------------------------------------- | |ASID NPVOH2+2 | NPIVOH3ION -------------------------------------------------------------------- | |ASID NPIVOH3+ | NPIVOH4 ----------------------------------------------------------------------- | |ASID NPIVOH4 |ASID NPVOH4-S | NPIVOH5ION -------------------------------------------------------------------- | |ASID NPIVOH5- | NPIVOHION --------------------------------------------------------------------- | |ASID NPIVOH+3 | NPO22OH2ION ------------------------------------------------------------------- | |ASID NPO2OH+2 | NPO23OH5ION ------------------------------------------------------------------- | |ASID NPO3OH5+ | NPO2ION ----------------------------------------------------------------------- | |ASID NPO2+2 | NPO2OH2 ----------------------------------------------------------------------- | |ASID NPOOH2-S
1 2 Page 132 | NPO2OHION --------------------------------------------------------------------- | |ASID NPO2OH+ | NPVO2ION ---------------------------------------------------------------------- | |ASID NPVO2+ | NPVO2OH ----------------------------------------------------------------------- | |ASID NPVO2OH |ASID NPO2OH-S | O2 ---------------------------------------------------------------------------- | |ASID O2 |ASNM O2 | OCNION ------------------------------------------------------------------------ | STOI 1 1 1 0 0 0 0 0 0 0 |STOI 1 1 1 0 0 0 0 0 0 0. |ASID OCN-1 | OCP --------------------------------------------------------------------------- | |ASID OCP-S | OCTACOSAN --------------------------------------------------------------------- | |ASID OCTACOSN | OHION ------------------------------------------------------------------------- | |ASID OH- |ASNM OH- | OTION ------------------------------------------------------------------------- | |ASID OT- | OXALAC ------------------------------------------------------------------------ | |ASID OXALAC |ASNM C2H2O4 |ASID OXALAC-S | OXALAC.2H2O ------------------------------------------------------------------- | |ASID OXALACW2
1 2 Page 133 | OXALACB ----------------------------------------------------------------------- | |ASID OXALACB |ASID OXALAB-S | OXALATION --------------------------------------------------------------------- | |ASID OXALAT-2 | OXIRANE ----------------------------------------------------------------------- | |ASID OXIRANE | OXIRANE.7H2O ------------------------------------------------------------------ | |ASID OXIANEW7 | OXYLENE ----------------------------------------------------------------------- | |ASID OXYLENE |ASNM C8H10-1 | OZONE ------------------------------------------------------------------------- | |ASID OZONE |ASNM O3 | P2O5 -------------------------------------------------------------------------- | |ASID P2O5 |ASNM P2O5 | P2O7ION ----------------------------------------------------------------------- | |ASID P2O7-4 |ASNM P2O7-4 | P3O10ION ---------------------------------------------------------------------- | STOI 3 10 0 0 0 0 0 0 0 0 |STOI 3 10 0 0 0 0 0 0 0 0. |ASID P3O10-5 | P4EL -------------------------------------------------------------------------- | |ASID P4EL |ASID P4EL-S | P4O10 ------------------------------------------------------------------------- | |ASID P4O10 |ASID P4O10-S
1 2 Page 134 | PAA --------------------------------------------------------------------------- | STOI 2 0.33333 0 0 0 0 0 0 0 0 |STOI 2 0.33333 0 0 0 0 0 0 0 0. |ASID PAA | PAA2000ION -------------------------------------------------------------------- | STOI 3 1 0 0 0 0 0 0 0 0 |STOI 3 1 0 0 0 0 0 0 0 0. |ASID PA2000-3 | PB2OSO4 ----------------------------------------------------------------------- | STOI 2 1 5 0 0 0 0 0 0 0 |STOI 2 1 5 0 0 0 0 0 0 0. |ASID PB2OSO-S | PB3CO32OH2 -------------------------------------------------------------------- | STOI 2 8 3 2 0 0 0 0 0 0 |STOI 2 8 3 2 0 0 0 0 0 0. |ASID PB3CO3-S | PB3O4 ------------------------------------------------------------------------- | |ASID PB3O4-S | PB5CO33OH4 -------------------------------------------------------------------- | STOI 3 13 5 4 0 0 0 0 0 0 |STOI 3 13 5 4 0 0 0 0 0 0. |ASID PB5CO33O | PBCL2 ------------------------------------------------------------------------- | |ASID PBCL2 |ASNM PBCL2 |ASID PBCL2-S |ASNM PBCL2 | PBCL3ION ---------------------------------------------------------------------- | |ASID PBCL3- |ASNM PBCL3- | PBCL4ION ---------------------------------------------------------------------- | |ASID PBCL4-2 | PBCLION ----------------------------------------------------------------------- | |ASID PBCL+ |ASNM PBCL+
1 2 Page 135 | PBCO3 ------------------------------------------------------------------------- | |ASID PBCO3 |ASID PBCO3-S | PBCO32ION --------------------------------------------------------------------- | STOI 2 6 1 0 0 0 0 0 0 0 |STOI 2 6 1 0 0 0 0 0 0 0. |ASID PBCO32-2 | PBEL -------------------------------------------------------------------------- | |ASID PBEL-S |ASNM PB | PBHS2 ------------------------------------------------------------------------- | |ASID PBHS2IN | PBION ------------------------------------------------------------------------- | |ASID PB+2 |ASNM PB+2 | PBIVION ----------------------------------------------------------------------- | |ASID PBIV+4 | PBNO32 ------------------------------------------------------------------------ | |ASID PBNO32 | PBO --------------------------------------------------------------------------- | |ASID PBO |ASID PBO-S | PBO2 -------------------------------------------------------------------------- | |ASID PBO2-S | PBOH2 ------------------------------------------------------------------------- | |ASID PBOH2 | PBOHION ----------------------------------------------------------------------- | |ASID PBOH+ |ASNM PBOH+
1 2 Page 136 | PBOR -------------------------------------------------------------------------- | |ASID PBOR-S | PBS --------------------------------------------------------------------------- | |ASID PBS |ASID PBS-S |ASNM PBS-1 | PBSIO3 ------------------------------------------------------------------------ | |ASID PBSIO3-S | PBSO4 ------------------------------------------------------------------------- | |ASID PBSO4 |ASID PBSO4-S |ASNM PBSO4 | PBTC -------------------------------------------------------------------------- | STOI 1 5 0 0 0 0 0 0 0 0 |STOI 1 5 0 0 0 0 0 0 0 0. |ASID PBTC | PBTCION ----------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID PBTC-5 | PBTIO3 ------------------------------------------------------------------------ | |ASID PBTIO3-S | PDEL -------------------------------------------------------------------------- | |ASID PDEL-S | PDIIION ----------------------------------------------------------------------- | |ASID PDII+2 |ASNM PD+2 | PDIIOH2 ----------------------------------------------------------------------- | |ASID PDIIOH2 |ASID PDIOH2-S | PDIIOHION --------------------------------------------------------------------- | |ASID PDIIOH+
1 2 Page 137 | PDS --------------------------------------------------------------------------- | |ASID PDS-S | PEG600ION --------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID PEG600- | PEGL600ION -------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID PEGL60-2 | PEL --------------------------------------------------------------------------- | |ASID PEL | PENTCOSAN --------------------------------------------------------------------- | |ASID PNTCOSAN | PENTTRIACT -------------------------------------------------------------------- | |ASID PENTTRIA | PF5 --------------------------------------------------------------------------- | STOI 5 1 0 0 0 0 0 0 0 0 |STOI 5 1 0 0 0 0 0 0 0 0. |ASID PF5 | PF6ION ------------------------------------------------------------------------ | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID PF6- | PHENANTHR --------------------------------------------------------------------- | |ASID PHENATHR |ASNM C14H10-2 |ASID PHENAN-S | PMLA -------------------------------------------------------------------------- | STOI 1 3 0 0 0 0 0 0 0 0 |STOI 1 3 0 0 0 0 0 0 0 0. |ASID PMLA | PMLAION ----------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID PMLA-3
1 2 Page 138 | PO4ION ------------------------------------------------------------------------ | |ASID PO4-3 |ASNM PO4-3 | PR1OH2ION --------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID PR1OH2+ | PR1OION ----------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID PR1O- | PREL -------------------------------------------------------------------------- | |ASID PREL-S | PRION ------------------------------------------------------------------------- | |ASID PR+3 |ASNM PR+3 | PROH2ION ---------------------------------------------------------------------- | |ASID PROH2+ | PROH3 ------------------------------------------------------------------------- | |ASID PROH3 |ASID PROH3-S | PROH4ION ---------------------------------------------------------------------- | |ASID PROH4- | PROHION ----------------------------------------------------------------------- | |ASID PROH+2 | PROPAC2 ----------------------------------------------------------------------- | |ASID PROPAC2 | PROPAMHION -------------------------------------------------------------------- | |ASID PROPAMH+ | PROPANATEION ------------------------------------------------------------------ | |ASID PRPNT-
1 2 Page 139 | PROPANOL1 --------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID PRPNOL1 |ASNM C3H8O-1 | PROPYLAMN --------------------------------------------------------------------- | |ASID PRPYAMN |ASNM C3H9N-1 | PRPLNCARB --------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID PRPLNCAR | PRPLNGLY12 -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID PLNGLY12 |ASNM C3H8O2-2 | PRPLNGLYHION ------------------------------------------------------------------ | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID PRPLNGL+ | PRPLNGLYION ------------------------------------------------------------------- | |ASID PRPLNGL- | PTEL -------------------------------------------------------------------------- | |ASID PTEL-S |ASNM PT | PTIIION ----------------------------------------------------------------------- | |ASID PTII+2 |ASNM PT+2 | PTIIOH2 ----------------------------------------------------------------------- | |ASID PTIIOH2 |ASID PTIOH2-S | PTIIOHION --------------------------------------------------------------------- | |ASID PTIIOH+
1 2 Page 140 | PTIVION ----------------------------------------------------------------------- | |ASID PTIV+4 | PTOH4 ------------------------------------------------------------------------- | |ASID PTOH4 | PTS --------------------------------------------------------------------------- | |ASID PTS-S | PU2O3 ------------------------------------------------------------------------- | |ASID PU2O3 | PU2O7 ------------------------------------------------------------------------- | STOI 2 6 1 0 0 0 0 0 0 0 |STOI 2 6 1 0 0 0 0 0 0 0. |ASID PU2O7 | PU2O7C.6H2O ------------------------------------------------------------------- | STOI 2 6 7 12 0 0 0 0 0 0 |STOI 2 6 7 12 0 0 0 0 0 0. |ASID PU2O7C6W | PU2O7H.6H2O ------------------------------------------------------------------- | STOI 2 6.74 6.63 12 0 0 0 0 0 0 |STOI 2 6.74 6.63 12 0 0 0 0 0 0. |ASID PU2O7H6W | PUEL -------------------------------------------------------------------------- | |ASID PUEL-S | PUIIIION ---------------------------------------------------------------------- | |ASID PUIII+3 | PUIIIOH2ION ------------------------------------------------------------------- | |ASID PUIIIOH+ | PUIIIOH3 ---------------------------------------------------------------------- | |ASID PUIIIOH |ASID PUIIIO-S | PUIIIOHION -------------------------------------------------------------------- | |ASID PUIIIO+2
1 2 Page 141 | PUIVION ----------------------------------------------------------------------- | |ASID PUIV+4 | PUIVMOO4OH2 ------------------------------------------------------------------- | STOI 1 1 6 2 0 0 0 0 0 0 |STOI 1 1 6 2 0 0 0 0 0 0. GREF -1.883120E+06 |GREF -1.878190E+06 HREF -2.105260E+06 |HREF -2.100330E+06 |ASID PUIVMOH2 | PUIVMOO4OHION ----------------------------------------------------------------- | STOI 1 1 5 1 0 0 0 0 0 0 |STOI 1 1 5 1 0 0 0 0 0 0. GREF -1.651270E+06 |GREF -1.645889E+06 HREF -1.803920E+06 |HREF -1.798534E+06 |ASID PUIVMOH+ | PUIVNO34 ---------------------------------------------------------------------- | |ASID PUIVNO34 | PUIVO2 ------------------------------------------------------------------------ | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID PUIVO2 | PUIVOH2ION -------------------------------------------------------------------- | |ASID PUIVOH+2 | PUIVOH3ION -------------------------------------------------------------------- | |ASID PUIVOH3+ | PUIVOH4 ----------------------------------------------------------------------- | |ASID PUIVOH4 |ASID PUVOH4-S | PUIVOH5ION -------------------------------------------------------------------- | GREF -1.548200E+06 |GREF -1.548942E+06 HREF -1.851370E+06 |HREF -1.852106E+06 |ASID PUIVOH5- | PUIVOH6ION -------------------------------------------------------------------- | GREF -1.704730E+06 |GREF -1.704298E+06 HREF -2.143280E+06 |HREF -2.142852E+06 |ASID PUOH6-2
1 2 Page 142 | PUIVOHION --------------------------------------------------------------------- | |ASID PUIVOH+3 | PUMOO42 ----------------------------------------------------------------------- | STOI 1 2 8 0 0 0 0 0 0 0 |STOI 1 2 8 0 0 0 0 0 0 0. |ASID PUMOO42 | PUMOO42.2H2O ------------------------------------------------------------------ | STOI 1 2 10 4 0 0 0 0 0 0 |STOI 1 2 10 4 0 0 0 0 0 0. GREF -2.820250E+06 |GREF -2.807481E+06 HREF -3.158950E+06 |HREF -3.146176E+06 |ASID PUMOO42W | PUNO34.5H2O ------------------------------------------------------------------- | STOI 1 4 17 10 0 0 0 0 0 0 |STOI 1 4 17 10 0 0 0 0 0 0. |ASID PUNO345W | PUO2HNO33.3H2O ---------------------------------------------------------------- | |ASID PUO2H33W | PUO2ION ----------------------------------------------------------------------- | |ASID PUO2+2 | PUO2NO32 ---------------------------------------------------------------------- | |ASID PUO2NO32 | PUO2NO32.3H2O ----------------------------------------------------------------- | |ASID PUO2N33W | PUO2NO32.5H2O ----------------------------------------------------------------- | |ASID PUO2N35W | PUO2OH2 ----------------------------------------------------------------------- | |ASID PUO2OH2 | PUO2OH2.H2O ------------------------------------------------------------------- | |ASID PUO2OHW1 | PUO2OH3ION -------------------------------------------------------------------- | |ASID PUO2OH3-
1 2 Page 143 | PUO2OHION --------------------------------------------------------------------- | |ASID PUO2OH+ | PUOHNO33.5H2O ----------------------------------------------------------------- | STOI 1 3 15 11 0 0 0 0 0 0 |STOI 1 3 15 11 0 0 0 0 0 0. |ASID PUOHNO5W | PUVO2ION ---------------------------------------------------------------------- | |ASID PUVO2+ | PUVO2OH ----------------------------------------------------------------------- | |ASID PUVO2OH |ASID PUVO2O-S | PUVO2OH2ION ------------------------------------------------------------------- | GREF -1.199710E+06 |GREF -1.200813E+06 HREF -1.380210E+06 |HREF -1.381318E+06 |ASID PUVO2OH- | PUVO2OH3ION ------------------------------------------------------------------- | GREF -1.356610E+06 |GREF -1.357713E+06 HREF -1.630460E+06 |HREF -1.631563E+06 |ASID PUVO2O-2 | PUVO2OH4ION ------------------------------------------------------------------- | GREF -1.513510E+06 |GREF -1.514613E+06 HREF -1.874750E+06 |HREF -1.875850E+06 |ASID PUVO2O-3 | PXYLENE ----------------------------------------------------------------------- | |ASID PXYLENE |ASNM C8H10-3 | PZT30 ------------------------------------------------------------------------- | |ASID PZT30 |ASID PZT30-S | PZT60 ------------------------------------------------------------------------- | |ASID PZT60 |ASID PZT60-S
1 2 Page 144 | PZT70 ------------------------------------------------------------------------- | |ASID PZT70 |ASID PZT70-S | PZT75 ------------------------------------------------------------------------- | |ASID PZT75 |ASID PZT75-S | PZTV -------------------------------------------------------------------------- | |ASID PZTV |ASID PZTV-S | QUARTZ ------------------------------------------------------------------------ | VREF 2.268710E-05 |VREF 2.268700E-05 |ASID QUARTZ-S | RAEL -------------------------------------------------------------------------- | |ASID RAEL-S | RAION ------------------------------------------------------------------------- | |ASID RA+2 |ASNM RA+2 | RAO --------------------------------------------------------------------------- | |ASID RAO | RAOH2 ------------------------------------------------------------------------- | |ASID RAOH2-S | RAOHION ----------------------------------------------------------------------- | |ASID RAOH+ | RAS --------------------------------------------------------------------------- | |ASID RAS-S | RB2O -------------------------------------------------------------------------- | |ASID RB2O | RBEL -------------------------------------------------------------------------- | |ASID RBEL-S |ASNM RB
1 2 Page 145 | RBION ------------------------------------------------------------------------- | |ASID RB+ |ASNM RB+ | RBOH -------------------------------------------------------------------------- | |ASID RBOH-S | REEL -------------------------------------------------------------------------- | |ASID REEL-S | REO4ION ----------------------------------------------------------------------- | STOI 1 4 0 0 0 0 0 0 0 0 |STOI 1 4 0 0 0 0 0 0 0 0. |ASID REO4- | RH2O3 ------------------------------------------------------------------------- | |ASID RH2O3-S | RHEL -------------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID RHEL-S | RHIIIION ---------------------------------------------------------------------- | |ASID RHIII+3 | RHIIIOH2ION ------------------------------------------------------------------- | |ASID RHIIOH2+ | RHIIIOH3 ---------------------------------------------------------------------- | |ASID RHIIIOH3 | RHIIIOHION -------------------------------------------------------------------- | |ASID RHIOH+2 | RHIIION ----------------------------------------------------------------------- | |ASID RHII+2 | RHIIOH2 ----------------------------------------------------------------------- | |ASID RHIIOH2
1 2 Page 146 | RHIIOHION --------------------------------------------------------------------- | |ASID RHIIOH+ | RN ---------------------------------------------------------------------------- | |ASID RN | RUEL -------------------------------------------------------------------------- | |ASID RUEL-S | RUIIIION ---------------------------------------------------------------------- | |ASID RUIII+3 | RUIIIOH2ION ------------------------------------------------------------------- | |ASID RUIIOH2+ | RUIIIOH3 ---------------------------------------------------------------------- | |ASID RUIIIOH3 | RUIIIOHION -------------------------------------------------------------------- | |ASID RUIIOH+2 | RUIIION ----------------------------------------------------------------------- | |ASID RUII+2 | RUIIOH2 ----------------------------------------------------------------------- | |ASID RUIIOH2 | RUIIOHION --------------------------------------------------------------------- | |ASID RUIIOH+ | RUTILE ------------------------------------------------------------------------ | |ASID RUTILE-S | S2ION ------------------------------------------------------------------------- | |ASID S2-2 |ASNM S2-2 | S2O3ION ----------------------------------------------------------------------- | |ASID S2O3-2 |ASNM S2O3-2
1 2 Page 147 | S2O4ION ----------------------------------------------------------------------- | |ASID S2O4-2 |ASNM S2O4-2 | S2O6ION ----------------------------------------------------------------------- | |ASID S2O6-2 | S2O8ION ----------------------------------------------------------------------- | |ASID S2O8-2 |ASNM S2O8-2 | S3ION ------------------------------------------------------------------------- | |ASID S3-2 |ASNM S3-2 | S4ION ------------------------------------------------------------------------- | |ASID S4-2 |ASNM S4-2 | S5ION ------------------------------------------------------------------------- | |ASID S5-2 |ASNM S5-2 | S5O6ION ----------------------------------------------------------------------- | |ASID S5O6-2 | SB2O3 ------------------------------------------------------------------------- | |ASID SB2O3-S | SB2O5 ------------------------------------------------------------------------- | |ASID SB2O5-S | SB2S3 ------------------------------------------------------------------------- | |ASID SB2S3-S | SBCL3 ------------------------------------------------------------------------- | |ASID SBCL3 |ASID SBCL3-S
1 2 Page 148 | SBEL -------------------------------------------------------------------------- | |ASID SBEL-S | SBIIIION ---------------------------------------------------------------------- | |ASID SBIII+3 | SBOH2ION ---------------------------------------------------------------------- | |ASID SBOH2+ | SBOH3 ------------------------------------------------------------------------- | |ASID SBOH3 |ASNM SB(OH)3 | SBOH4ION ---------------------------------------------------------------------- | |ASID SBOH4- | SBOH5 ------------------------------------------------------------------------- | |ASID SBOH5 | SCEL -------------------------------------------------------------------------- | |ASID SCEL-S | SCION ------------------------------------------------------------------------- | |ASID SC+3 |ASNM SC+3 | SCOH3 ------------------------------------------------------------------------- | |ASID SCOH3 | SECBUAHION -------------------------------------------------------------------- | |ASID SECBUAH+ | SECBUTYAMN -------------------------------------------------------------------- | |ASID SECBUAMN |ASNM C4H11N-D1 | SEEL -------------------------------------------------------------------------- | |ASID SEEL-S
1 2 Page 149 | SEH2 -------------------------------------------------------------------------- | |ASID SEH2 |ASNM H2SE-G | SEION ------------------------------------------------------------------------- | |ASID SE-2 |ASNM SE-2 | SEO2 -------------------------------------------------------------------------- | |ASID SEO2-S | SEO3ION ----------------------------------------------------------------------- | STOI 1 3 0 0 0 0 0 0 0 0 |STOI 1 3 0 0 0 0 0 0 0 0. |ASID SEO3-2 |ASNM SEO3-2 | SEO4ION ----------------------------------------------------------------------- | |ASID SEO4-2 |ASNM SEO4-2 | SIEL -------------------------------------------------------------------------- | |ASID SIEL-S |ASNM SI | SIHP -------------------------------------------------------------------------- | STOI 4.333333 1 2 9 0.666667 0 0 0 0 0|STOI 4.333333 1 2 9 0.666667 0 0 0 0 |+ 0. |ASID SIHP |ASID SIHP-S | SIO2 -------------------------------------------------------------------------- | VREF 2.018230E-05 |VREF 2.018200E-05 CPRE -17.452101 |CPRE -73.053398 CP 36.856098 3.927780E-02 |CP 36.856098 3.927780E-02 + -2.692080E+05 -1.761570E-05 0 |+ -2.692080E+05 -1.761600E-05 0 |ASID SIO2 |ASID SIO2-S |ASNM SIO2 | SION -------------------------------------------------------------------------- | |ASID S-2 |ASNM S-2
1 2 Page 150 | SMEL -------------------------------------------------------------------------- | |ASID SMEL-S | SMIIIION ---------------------------------------------------------------------- | |ASID SMIII+3 |ASNM SM+3 | SMIIION ----------------------------------------------------------------------- | |ASID SMII+2 | SMIIOH2 ----------------------------------------------------------------------- | |ASID SMIIOH2 | SMOH2ION ---------------------------------------------------------------------- | |ASID SMOH2+ | SMOH3 ------------------------------------------------------------------------- | |ASID SMOH3 |ASID SMOH3-S | SMOH4ION ---------------------------------------------------------------------- | |ASID SMOH4- | SMOHION ----------------------------------------------------------------------- | |ASID SMOH+2 | SNCH3SO32 --------------------------------------------------------------------- | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID SNCH3S-S | SNCH3SO3ION ------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID SNCH3SO+ | SNCL2 ------------------------------------------------------------------------- | |ASID SNCL2 |ASID SNCL2-S | SNCL3ION ---------------------------------------------------------------------- | |ASID SNCL3-
1 2 Page 151 | SNCL4ION ---------------------------------------------------------------------- | |ASID SNCL4-2 | SNCLION ----------------------------------------------------------------------- | |ASID SNCL+ | SNEL -------------------------------------------------------------------------- | |ASID SNEL-S | SNION ------------------------------------------------------------------------- | |ASID SN+2 |ASNM SN+2 | SNIVCL2ION -------------------------------------------------------------------- | |ASID SNIVCL+2 | SNIVCL3ION -------------------------------------------------------------------- | |ASID SNIVCL3+ | SNIVCL4 ----------------------------------------------------------------------- | |ASID SNIVCL4 |ASID SNIVCL-S | SNIVCL4.5H2O ------------------------------------------------------------------ | |ASID SNIVCLW5 | SNIVCLION --------------------------------------------------------------------- | |ASID SNIVCL+3 | SNIVION ----------------------------------------------------------------------- | |ASID SNIV+4 | SNIVOH2ION -------------------------------------------------------------------- | |ASID SNVOH2+2 | SNIVOH3ION -------------------------------------------------------------------- | |ASID SNIVOH3+
1 2 Page 152 | SNIVOH4 ----------------------------------------------------------------------- | STOI 1 4 4 0 0 0 0 0 0 0 |STOI 1 4 4 0 0 0 0 0 0 0. |ASID SNIVOH4 | SNIVOH5ION -------------------------------------------------------------------- | STOI 1 5 5 0 0 0 0 0 0 0 |STOI 1 5 5 0 0 0 0 0 0 0. |ASID SNIVOH5- | SNIVOHION --------------------------------------------------------------------- | |ASID SNIVOH+3 | SNO --------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID SNO |ASID SNO-S | SNO2 -------------------------------------------------------------------------- | |ASID SNO2 |ASID SNO2-S | SNOH2 ------------------------------------------------------------------------- | |ASID SNOH2 | SNOHION ----------------------------------------------------------------------- | |ASID SNOH+ |ASNM SNOH+ | SO2 --------------------------------------------------------------------------- | |ASID SO2 |ASNM O2S | SO3 --------------------------------------------------------------------------- | |ASID SO3 |ASNM O3S | SO3FION ----------------------------------------------------------------------- | STOI 1 3 1 0 0 0 0 0 0 0 |STOI 1 3 1 0 0 0 0 0 0 0. |ASID SO3F- | SO3ION ------------------------------------------------------------------------ | |ASID SO3-2 |ASNM SO3-2
1 2 Page 153 | SO4ION ------------------------------------------------------------------------ | |ASID SO4-2 |ASNM SO4-2 | SORBITAN ---------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID SORBIA |ASID SORBIA-S | SORBITION --------------------------------------------------------------------- | |ASID SORBIA- | SORBITOL ---------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID SORBITOL |ASNM C6H14O6 |ASID SORBIT-S | SRCL2 ------------------------------------------------------------------------- | |ASID SRCL2-S | SRCL2.1H2O -------------------------------------------------------------------- | |ASID SRCL2W1 | SRCL2.2H2O -------------------------------------------------------------------- | |ASID SRCL2W2 | SRCL2.6H2O -------------------------------------------------------------------- | |ASID SRCL2W6 | SRCO3 ------------------------------------------------------------------------- | |ASID SRCO3 |ASID SRCO3-S | SREL -------------------------------------------------------------------------- | |ASID SREL-S | SRION ------------------------------------------------------------------------- | |ASID SR+2 |ASNM SR+2
1 2 Page 154 | SRO --------------------------------------------------------------------------- | |ASID SRO | SROH2 ------------------------------------------------------------------------- | |ASID SROH2-S | SROHION ----------------------------------------------------------------------- | |ASID SROH+ |ASNM SROH+ | SRSO4 ------------------------------------------------------------------------- | |ASID SRSO4 |ASID SRSO4-S | SULFUREL ---------------------------------------------------------------------- | |ASID SULFEL-S | T2O --------------------------------------------------------------------------- | STOI 2 1 0 0 0 0 0 0 0 0 |STOI 2 1 0 0 0 0 0 0 0 0. |ASID T2O | T3OION ------------------------------------------------------------------------ | |ASID T3O+ | TA2O5 ------------------------------------------------------------------------- | |ASID TA2O5-S | TAEL -------------------------------------------------------------------------- | |ASID TAEL-S | TAO3ION ----------------------------------------------------------------------- | |ASID TAO3- | TB2O3 ------------------------------------------------------------------------- | |ASID TB2O3-S | TBEL -------------------------------------------------------------------------- | |ASID TBEL-S
1 2 Page 155 | TBFION ------------------------------------------------------------------------ | |ASID TBF+2 | TBION ------------------------------------------------------------------------- | |ASID TB+3 |ASNM TB+3 | TBOH2ION ---------------------------------------------------------------------- | |ASID TBOH2+ | TBOH3 ------------------------------------------------------------------------- | |ASID TBOH3 |ASID TBOH3-S | TBOH4ION ---------------------------------------------------------------------- | |ASID TBOH4- | TBOHION ----------------------------------------------------------------------- | |ASID TBOH+2 | TBUTEN ------------------------------------------------------------------------ | |ASID TBUTEN |ASNM C4H8-3 | TCEL -------------------------------------------------------------------------- | |ASID TCEL-S | TCIVO2 ------------------------------------------------------------------------ | |ASID TCIVO2 | TCIVO2.2H2O ------------------------------------------------------------------- | |ASID TCIVO2W2 | TCIVOION ---------------------------------------------------------------------- | |ASID TCIVO+2 | TCIVOOH2 ---------------------------------------------------------------------- | |ASID TCIVOOH2
1 2 Page 156 | TCIVOOH22 --------------------------------------------------------------------- | |ASID TCIVOH22 | TCIVOOH3ION ------------------------------------------------------------------- | |ASID TCIVOH3- | TCIVOOHION -------------------------------------------------------------------- | |ASID TCIVOOH+ | TCVII2O7 ---------------------------------------------------------------------- | |ASID TCV2O7-S | TCVIIO4ION -------------------------------------------------------------------- | |ASID TCVIIO4- | TEEL -------------------------------------------------------------------------- | |ASID TEEL-S | TEG --------------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID TEG | TEGCO2ION --------------------------------------------------------------------- | STOI 2 1 1 0 0 0 0 0 0 0 |STOI 2 1 1 0 0 0 0 0 0 0. |ASID TEGCO2- | TEGHION ----------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID TEGH+ | TEGION ------------------------------------------------------------------------ | |ASID TEG- | TEION ------------------------------------------------------------------------- | |ASID TE-2 | TEIVO3ION --------------------------------------------------------------------- | |ASID TEIVO3-2
1 2 Page 157 | TEIVOH3ION -------------------------------------------------------------------- | |ASID TEIVOH3+ | TEO2 -------------------------------------------------------------------------- | |ASID TEO2-S | TERPHTHAAC -------------------------------------------------------------------- | |ASID TERPHTAC |ASNM C8H6O4-D3 |ASID TERPHT-S | TETRTRIACT -------------------------------------------------------------------- | |ASID TETRTRIA | TH2OH2ION --------------------------------------------------------------------- | |ASID TH2OH2+6 |ASNM TH2(OH)2+6 | THEL -------------------------------------------------------------------------- | |ASID THEL-S | THION ------------------------------------------------------------------------- | |ASID TH+4 |ASNM TH+4 | THO2 -------------------------------------------------------------------------- | |ASID THO2-S | THOH2ION ---------------------------------------------------------------------- | |ASID THOH2+2 |ASNM TH(OH)2+2 | THOH3ION ---------------------------------------------------------------------- | |ASID THOH3+ | THOH4 ------------------------------------------------------------------------- | |ASID THOH4 | THOHION ----------------------------------------------------------------------- | |ASID THOH+3 |ASNM THOH+3
1 2 Page 158 | THS2 -------------------------------------------------------------------------- | |ASID THS2-S | TI2O3 ------------------------------------------------------------------------- | |ASID TI2O3-S | TIEL -------------------------------------------------------------------------- | |ASID TIEL-S |ASNM TI | TIIIIION ---------------------------------------------------------------------- | |ASID TIIII+3 | TIIIIOH2ION ------------------------------------------------------------------- | |ASID TIIIOH2+ | TIIIIOH3 ---------------------------------------------------------------------- | |ASID TIIIIOH3 | TIIIIOHION -------------------------------------------------------------------- | |ASID TIIIOH+2 | TIIVCL2OH2 -------------------------------------------------------------------- | |ASID TICL2OH2 | TIIVCL3OH2ION ----------------------------------------------------------------- | |ASID TICL3O2- | TIIVCL4 ----------------------------------------------------------------------- | |ASID TIIVCL4 | TIIVCL4OH2ION ----------------------------------------------------------------- | |ASID TICL4O-2 | TIIVCLOH2ION ------------------------------------------------------------------ | |ASID TICLOH2+
1 2 Page 159 | TIIVION ----------------------------------------------------------------------- | STOI 1 8 4 0 0 0 0 0 0 0 |STOI 1 8 4 0 0 0 0 0 0 0. |ASID TIIV+4 | TIIVNBUT4 --------------------------------------------------------------------- | STOI 1 4 0 0 0 0 0 0 0 0 |STOI 1 4 0 0 0 0 0 0 0 0. |ASID TINBUT4 | TIIVOH2ION -------------------------------------------------------------------- | STOI 1 6 4 0 0 0 0 0 0 0 |STOI 1 6 4 0 0 0 0 0 0 0. |ASID TIVOH2+2 | TIIVOH3ION -------------------------------------------------------------------- | STOI 1 5 4 0 0 0 0 0 0 0 |STOI 1 5 4 0 0 0 0 0 0 0. |ASID TIIVOH3+ | TIIVOH4 ----------------------------------------------------------------------- | |ASID TIIVOH4 |ASID TIVOH4-S | TIIVOH5ION -------------------------------------------------------------------- | |ASID TIOH5- | TIIVOH6ION -------------------------------------------------------------------- | |ASID TIOH6-2 | TIIVOHION --------------------------------------------------------------------- | STOI 1 7 4 0 0 0 0 0 0 0 |STOI 1 7 4 0 0 0 0 0 0 0. |ASID TIIVOH+3 | TLEL -------------------------------------------------------------------------- | |ASID TLEL-S | TLIIIION ---------------------------------------------------------------------- | |ASID TLIII+3 |ASNM TL+3 | TLIIIOH3 ---------------------------------------------------------------------- | |ASID TLIIIOH3
1 2 Page 160 | TLION ------------------------------------------------------------------------- | |ASID TL+ |ASNM TL+ | TLNO3 ------------------------------------------------------------------------- | |ASID TLNO3 |ASID TLNO3P-S | TLOH -------------------------------------------------------------------------- | |ASID TLOH |ASNM TLOH | TM2O3 ------------------------------------------------------------------------- | |ASID TM2O3-S | TMEL -------------------------------------------------------------------------- | |ASID TMEL-S | TMELLANHYD -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID TMELLAND | TMELLITAC --------------------------------------------------------------------- | STOI 3 1 1 0 0 0 0 0 0 0 |STOI 3 1 1 0 0 0 0 0 0 0. |ASID TMELLITA |ASID TMELLI-S | TMELLITION -------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID TMELLI-3 | TMION ------------------------------------------------------------------------- | |ASID TM+3 |ASNM TM+3 | TMOH2ION ---------------------------------------------------------------------- | |ASID TMOH2+ | TMOH3 ------------------------------------------------------------------------- | |ASID TMOH3 |ASID TMOH3-S
1 2 Page 161 | TMOH4ION ---------------------------------------------------------------------- | |ASID TMOH4- | TMOHION ----------------------------------------------------------------------- | |ASID TMOH+2 | TOLUENE ----------------------------------------------------------------------- | |ASID TOLUENE |ASNM C7H8 | TOSYLATEION ------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID TSYLATE- | TOSYLIC.1H2O ------------------------------------------------------------------ | STOI 3 1 1 0 0 0 0 0 0 0 |STOI 3 1 1 0 0 0 0 0 0 0. |ASID TOSYLIW1 | TOSYLIC.4H2O ------------------------------------------------------------------ | STOI 9 4 1 0 0 0 0 0 0 0 |STOI 9 4 1 0 0 0 0 0 0 0. |ASID TOSYLIW4 | TOSYLICAC --------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID TOSYLICA |ASID TOSYLI-S | TPHTHTION --------------------------------------------------------------------- | |ASID TPHTHT-2 | TRICONTAN --------------------------------------------------------------------- | |ASID TRICONTN | TRICOSAN ---------------------------------------------------------------------- | |ASID TRICOSAN | TRIEAMINE --------------------------------------------------------------------- | |ASID TRIEAMN |ASNM C6H15N-2
1 2 Page 162 | TRIMEAMHION ------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID TRIMEAM+ | TRIMEAMINE -------------------------------------------------------------------- | |ASID TMEAMN |ASNM C3H9N-3 | TRIOCTYLAM -------------------------------------------------------------------- | |ASID TRIOCTYL | TTACONT ----------------------------------------------------------------------- | |ASID TTACONT | TTCOSAN ----------------------------------------------------------------------- | |ASID TTCOSAN | UEL --------------------------------------------------------------------------- | |ASID UEL-S | UIIIION ----------------------------------------------------------------------- | |ASID UIII+3 |ASNM U+3 | UIIIO2ION --------------------------------------------------------------------- | |ASID UIIIO2- | UIIIOH3 ----------------------------------------------------------------------- | |ASID UIIIOH3 | UIIIOHION --------------------------------------------------------------------- | |ASID UIIIOH+2 | UIIIOION ---------------------------------------------------------------------- | |ASID UIIIO+ | UIVCLION ---------------------------------------------------------------------- | |ASID UIVCL+3 |ASNM UCL+3
1 2 Page 163 | UIVION ------------------------------------------------------------------------ | |ASID UIV+4 |ASNM U+4 | UIVO2 ------------------------------------------------------------------------- | |ASID UIVO2AQ |ASID UIVO2-S | UIVOCO33ION ------------------------------------------------------------------- | STOI 1 10 3 0 0 0 0 0 0 0 |STOI 1 10 3 0 0 0 0 0 0 0. |ASID UIVOCO-4 | UIVOH4 ------------------------------------------------------------------------ | |ASID UIVOH4 |ASNM U(OH)4 |ASID UIVOH4-S | UIVOHION ---------------------------------------------------------------------- | |ASID UIVOH+3 |ASNM UOH+3 | UIVOION ----------------------------------------------------------------------- | |ASID UIVO+2 | UO2CO3 ------------------------------------------------------------------------ | |ASID UO2CO3 |ASNM UO2CO3 | UO2CO32ION -------------------------------------------------------------------- | |ASID UO2CO3-2 |ASNM UO2(CO3)2-2 | UO2CO33ION -------------------------------------------------------------------- | |ASID UO2CO3-4 |ASNM UO2(CO3)3-4 | UO2H2O2ION -------------------------------------------------------------------- | STOI 1 2 2 2 0 0 0 0 0 0 |STOI 1 2 2 2 0 0 0 0 0 0. |ASID UO2H2O+2
1 2 Page 164 | UO2H3O2ION -------------------------------------------------------------------- | STOI 1 2 3 2 0 0 0 0 0 0 |STOI 1 2 3 2 0 0 0 0 0 0. |ASID UO2H3O+3 | UO2HMOO4NO3 ------------------------------------------------------------------- | STOI 1 1 9 1 1 0 0 0 0 0 |STOI 1 1 9 1 1 0 0 0 0 0. GREF -1.972450E+06 |GREF -1.981846E+06 HREF -2.294100E+06 |HREF -2.303489E+06 |ASID UO2HMOO | UO2HO2ION --------------------------------------------------------------------- | STOI 1 2 1 2 0 0 0 0 0 0 |STOI 1 2 1 2 0 0 0 0 0 0. |ASID UO2HO2+ | UO2ION ------------------------------------------------------------------------ | |ASID UO2+2 |ASNM UO2+2 | UO2MOO4 ----------------------------------------------------------------------- | STOI 1 1 6 0 0 0 0 0 0 0 |STOI 1 1 6 0 0 0 0 0 0 0. |ASID UO2MOO4 | UO2MOO4.2H2O ------------------------------------------------------------------ | STOI 1 1 8 4 0 0 0 0 0 0 |STOI 1 1 8 4 0 0 0 0 0 0. GREF -2.341450E+06 |GREF -2.350312E+06 HREF -2.623290E+06 |HREF -2.632150E+06 |ASID UO2MO42W | UO2NO32 ----------------------------------------------------------------------- | |ASID UO2NTT | UO2NO32.2H2O ------------------------------------------------------------------ | |ASID UO2NTTW2 | UO2NO32.3H2O ------------------------------------------------------------------ | |ASID UO2NTTW3 | UO2NO32.6H2O ------------------------------------------------------------------ | |ASID UO2NTTW6
1 2 Page 165 | UO2NO3ION --------------------------------------------------------------------- | |ASID UO2NO3+ | UO2OH2 ------------------------------------------------------------------------ | |ASID UO2OH2 |ASNM UO2(OH)2 |ASID UO2OH2-S | UO2OH2.1H2O ------------------------------------------------------------------- | |ASID UO2OH21W | UO2OHION ---------------------------------------------------------------------- | |ASID UO2OH+ |ASNM UO2OH+ | UO3 --------------------------------------------------------------------------- | |ASID UO3AQ | UO3H2O2 ----------------------------------------------------------------------- | STOI 1 3 2 2 0 0 0 0 0 0 |STOI 1 3 2 2 0 0 0 0 0 0. |ASID UO3H2O2 | UO3MOO32.2H2O ----------------------------------------------------------------- | STOI 1 2 11 4 0 0 0 0 0 0 |STOI 1 2 11 4 0 0 0 0 0 0. GREF -3.007910E+06 |GREF -3.025415E+06 HREF -3.375040E+06 |HREF -3.392538E+06 SREF 264.850006 |SREF 264.847198 |ASID UO3MOO2W | UO4 --------------------------------------------------------------------------- | STOI 1 2 2 0 0 0 0 0 0 0 |STOI 1 2 2 0 0 0 0 0 0 0. |ASID UO4 | UO4.4H2O ---------------------------------------------------------------------- | STOI 1 6 8 2 0 0 0 0 0 0 |STOI 1 6 8 2 0 0 0 0 0 0. |ASID UO4W4 | UO4ION ------------------------------------------------------------------------ | |ASID UO4-2
1 2 Page 166 | UREA -------------------------------------------------------------------------- | STOI 1 1 2 4 0 0 0 0 0 0 |STOI 1 1 2 4 0 0 0 0 0 0. |ASID UREA |ASNM CH4N2O |ASID UREA-S | UREAINERT --------------------------------------------------------------------- | STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 0 0 0 0 0 0 0 0 0. |ASID UREAINRT |ASID UREIRT-S | UREAINERTNH3 ------------------------------------------------------------------ | STOI 1 1 3 0 0 0 0 0 0 0 |STOI 1 1 3 0 0 0 0 0 0 0. |ASID URINH3-S | UREANH3 ----------------------------------------------------------------------- | STOI 1 1 3 7 0 0 0 0 0 0 |STOI 1 1 3 7 0 0 0 0 0 0. |ASID URENH3-S | UVO2ION ----------------------------------------------------------------------- | |ASID UVO2+ |ASNM UO2+ | UVO2OH ------------------------------------------------------------------------ | |ASID UVO2OHA | UVO3ION ----------------------------------------------------------------------- | |ASID UVO3- | V2O3 -------------------------------------------------------------------------- | |ASID V2O3-S | V2O4 -------------------------------------------------------------------------- | |ASID V2O4 | V2O5 -------------------------------------------------------------------------- | |ASID V2O5 |ASID V2O5-S
1 2 Page 167 | V2S3 -------------------------------------------------------------------------- | STOI 2 3 0 0 0 0 0 0 0 0 |STOI 2 3 0 0 0 0 0 0 0 0. |ASID V2S3 |ASID V2S3_S | VEL --------------------------------------------------------------------------- | |ASID VEL-S | VIIIION ----------------------------------------------------------------------- | |ASID VIII+3 |ASNM V+3 | VIIIOH3 ----------------------------------------------------------------------- | |ASID VIIIOH3 | VIIIOHION --------------------------------------------------------------------- | |ASID VIIIOH+2 | VIIIOION ---------------------------------------------------------------------- | STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 1 0 0 0 0 0 0 0 0. |ASID VO+ | VO2 --------------------------------------------------------------------------- | STOI 1 2 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 0 0 0 0 0. |ASID VO2IN | VO2ION ------------------------------------------------------------------------ | |ASID VO2+ |ASNM VO2+ | VO2OH ------------------------------------------------------------------------- | |ASID VO2OH | VO4ION ------------------------------------------------------------------------ | |ASID VO4-3 | VOION ------------------------------------------------------------------------- | |ASID VO+2 |ASNM VO+2
1 2 Page 168 | VOOH2 ------------------------------------------------------------------------- | STOI 1 3 2 0 0 0 0 0 0 0 |STOI 1 3 2 0 0 0 0 0 0 0. |ASID VOOH2 |ASID VOOH2_S | VOOH3 ------------------------------------------------------------------------- | |ASID VOOH3 | VOOH3ION ---------------------------------------------------------------------- | STOI 1 3 4 0 0 0 0 0 0 0 |STOI 1 3 4 0 0 0 0 0 0 0. |ASID VOOH3ION | VOOHION ----------------------------------------------------------------------- | |ASID VOOH+ | VOSO4 ------------------------------------------------------------------------- | |ASID VOSO4 |ASID VOSO4-S | VOSO4.1.5H2O ------------------------------------------------------------------ | STOI 1 1 6.5 3 0 0 0 0 0 0 |STOI 1 1 6.5 3 0 0 0 0 0 0. |ASID VOSO415W | VOSO4.3H2O -------------------------------------------------------------------- | STOI 1 1 8 6 0 0 0 0 0 0 |STOI 1 1 8 6 0 0 0 0 0 0. |ASID VOSO4W3 | VOSO4.5H2O -------------------------------------------------------------------- | STOI 1 1 10 10 0 0 0 0 0 0 |STOI 1 1 10 10 0 0 0 0 0 0. |ASID VOSO4W5 | VOSO4.6H2O -------------------------------------------------------------------- | |ASID VOSO4W6 | VOSO4H.3H2O ------------------------------------------------------------------- | STOI 2 3 17 8 0 0 0 0 0 0 |STOI 2 3 17 8 0 0 0 0 0 0. |ASID VOSO4H3W | WEL --------------------------------------------------------------------------- | |ASID WEL-S |ASNM W
1 2 Page 169 | WO3 --------------------------------------------------------------------------- | |ASID WO3 |ASID WO3-S | WO4ION ------------------------------------------------------------------------ | STOI 1 4 0 0 0 0 0 0 0 0 |STOI 1 4 0 0 0 0 0 0 0 0. |ASID WO4-2 |ASNM WO4-2 | XE ---------------------------------------------------------------------------- | |ASID XE |ASNM XE | ZEOLA.12H2O ------------------------------------------------------------------- | GREF -1.476610E+07 |GREF -1.476438E+07 HREF -1.613970E+07 |HREF -1.615662E+07 SREF 1240.922974 |SREF 1178.385986 |ASID ZEOLAW12 | ZEOLITEA ---------------------------------------------------------------------- | |ASID ZEOLITEA | ZN2HCL5.2H2O ------------------------------------------------------------------ | STOI 5 5 2 2 0 0 0 0 0 0 |STOI 5 5 2 2 0 0 0 0 0 0. |ASID ZN2HCLW2 | ZN6CL2O5 ---------------------------------------------------------------------- | |ASID ZN6CL2O5 | ZNCL2 ------------------------------------------------------------------------- | |ASID ZNCL2 |ASNM ZNCL2 |ASID ZNCL2-S | ZNCL2.1.5H2O ------------------------------------------------------------------ | |ASID ZNCL2W15 | ZNCL2.1H2O -------------------------------------------------------------------- | |ASID ZNCL2W1
1 2 Page 170 | ZNCL2.2.5H2O ------------------------------------------------------------------ | |ASID ZNCL2W25 | ZNCL2.3H2O -------------------------------------------------------------------- | |ASID ZNCL2W3 | ZNCL2.4H2O -------------------------------------------------------------------- | |ASID ZNCL2W4 | ZNCL4ION ---------------------------------------------------------------------- | |ASID ZNCL4-2 | ZNCLO42 ----------------------------------------------------------------------- | STOI 1 2 8 0 0 0 0 0 0 0 |STOI 1 2 8 0 0 0 0 0 0 0. |ASID ZNCLO42 | ZNEL -------------------------------------------------------------------------- | |ASID ZNEL-S |ASNM ZN | ZNFE2O4 ----------------------------------------------------------------------- | |ASID ZNFE2O-S | ZNION ------------------------------------------------------------------------- | |ASID ZN+2 |ASNM ZN+2 | ZNNO32 ------------------------------------------------------------------------ | |ASID ZNNO32 |ASID ZNNO32-S | ZNNO32.1H2O ------------------------------------------------------------------- | |ASID ZNNO32W1 | ZNNO32.2H2O ------------------------------------------------------------------- | |ASID ZNNO32W2 | ZNNO32.4H2O ------------------------------------------------------------------- | |ASID ZNNO32W4
1 2 Page 171 | ZNNO32.6H2O ------------------------------------------------------------------- | |ASID ZNNO32W6 | ZNNO32.9H2O ------------------------------------------------------------------- | STOI 1 2 18 15 0 0 0 0 0 0 |STOI 1 2 18 15 0 0 0 0 0 0. |ASID ZNNO32W9 | ZNO --------------------------------------------------------------------------- | GREF -3.243210E+05 |GREF -3.235322E+05 HREF -3.354510E+05 |HREF -3.334447E+05 SREF 106.819397 |SREF 110.901398 GREF -2.895510E+05 |GREF -2.922408E+05 HREF -3.317670E+05 |HREF -3.553488E+05 SREF 2.553847 |SREF -67.517288 HKF -0.12418 -1080.719971 9.9819 |HKF -0.12418 -1080.719971 9.9819 + -23321 -1.501683 -50715 -3000 |+ -23321 52.662868 -50715 -3000 |ASID ZNO |ASID ZNO-S |ASNM ZNO | ZNO2ION ----------------------------------------------------------------------- | GREF -3.902930E+05 |GREF -3.907836E+05 HREF -5.144190E+05 |HREF -5.293388E+05 SREF -39.08485 |SREF -87.481422 HKF -5.559000E-02 -913.469971 9.3301 |HKF -5.559000E-02 -913.469971 9.3301 + -24013 -18.76729 -60900 382160 |+ -24013 41.505291 -60900 382160 |ASID ZNO2-2 | ZNOH2 ------------------------------------------------------------------------- | GREF -5.595410E+05 |GREF -5.600778E+05 HREF -6.376210E+05 |HREF -6.449510E+05 SREF 115.352699 |SREF 92.575348 |ASID ZNOH2 |ASNM ZN(OH)2 |ASID ZNOH2-S | ZNOHION ----------------------------------------------------------------------- | |ASID ZNOH+ |ASNM ZNOH+ | ZNPAA2KION -------------------------------------------------------------------- | STOI 3 1 1 0 0 0 0 0 0 0 |STOI 3 1 1 0 0 0 0 0 0 0. |ASID ZNPAA2K-
1 2 Page 172 | ZNS --------------------------------------------------------------------------- | |ASID ZNS-S |ASNM ZNS-1 | ZNSO4 ------------------------------------------------------------------------- | |ASID ZNSO4-S |ASNM ZNSO4 | ZNSO4.1H2O -------------------------------------------------------------------- | |ASID ZNSO4W1 | ZNSO4.6H2O -------------------------------------------------------------------- | |ASID ZNSO4W6 | ZNSO4.7H2O -------------------------------------------------------------------- | |ASID ZNSO4W7 | ZREL -------------------------------------------------------------------------- | |ASID ZREL-S | ZRH2O2ION --------------------------------------------------------------------- | STOI 1 2 2 0 0 0 0 0 0 0 |STOI 1 2 2 0 0 0 0 0 0 0. |ASID ZRH2O2+4 | ZRION ------------------------------------------------------------------------- | |ASID ZR+4 |ASNM ZR+4 | ZRMO2O7OHION ------------------------------------------------------------------ | GREF -2.365610E+06 |GREF -2.365865E+06 HREF -2.485110E+06 |HREF -2.487304E+06 SREF 515.466309 |SREF 508.960205 HKF 0 0 0 0 -33.203732 0 0 |HKF 0 0 0 0 -24.673441 0 0 |ASID ZRMO2O+1 | ZRMOOH.2H2O ------------------------------------------------------------------- | GREF -3.103400E+06 |GREF -3.103125E+06 HREF -3.346090E+06 |HREF -3.344150E+06 SREF 801.568176 |SREF 807.162598 |ASID ZRMOOHW2
1 2 Page 173 | ZRNO34 ------------------------------------------------------------------------ | |ASID ZRNO34 | ZRO2 -------------------------------------------------------------------------- | |ASID ZRO2 |ASID ZRO2-S |ASNM ZRO2 | ZROCLION ---------------------------------------------------------------------- | |ASID ZROCL+1 | ZROH4 ------------------------------------------------------------------------- | |ASID ZROH4 |ASNM ZR(OH)4 |ASID ZROH4-S | ZROHION ----------------------------------------------------------------------- | |ASID ZROH+3 |ASNM ZROH+3 | ZROION ------------------------------------------------------------------------ | |ASID ZRO+2 | ZRONO32 ----------------------------------------------------------------------- | |ASID ZRONO32 |ASID ZRON32-S | ZRONO32.1H2O ------------------------------------------------------------------ | |ASID ZRON32W1 | ZRONO32.2H2O ------------------------------------------------------------------ | |ASID ZRON32W2 | ZRONO32.5H2O ------------------------------------------------------------------ | |ASID ZRON32W5 | ZRONO3ION --------------------------------------------------------------------- | |ASID ZRONO3+1
1 2 Page 174 | ZRS2 -------------------------------------------------------------------------- | |ASID ZRS2-S
------- Removed Species -------- Page 175 HMOO4SO4ION MOO4CLION MOO4NO3ION NA2MO4O13.7H2O NA7MO7.21H2O NDOH2ION NDOH3 NDOH4ION NDOHION NICLO42.6H2O PUO3.5
------- New Species -------- Page 176 ACRYLONTRL AM2CO33 AMCO32ION AMCO33ION AMCO3ION AMIIICL2ION AMIIICLION AMIIIOH3CLION AMIIIOH3CR AMIIIOHCO3 B2CEE BANO32 BSN88 BUTLACETAT C3H4NOION C3H5N2ION C6H5N2ION C6H8NION CCROTONTRL CS2PUNO36 CSHNO3ION CSNO3 CSNO3HNO3 CSNO3HNO32 CUO CYANOPYRID3 DECALINN DIMECARB ETHECARB FUMANITRILE GA2SO43 GAOH2ION GAOH4ION GAOHION GAOOH GASO4.18H2O GASO4.6H2O GASO4.7H2O GLYCINATION GLYCINE H2MO7O24ION H3MO7O24ION H4MO7O24NO3ION H5MO7O24CLION H5MO7O24SO4ION HGLYCINION HMO7O24ION HMOO2SO42ION KGAO2 KGAO2.25H2O KI LIBF4 LIBF4.3H2O LIBF4.H2O LIBF4DMC2 LIBF4HDMC MO7O24ION MOIVION MOO2 MOS2 MPYRIDINE3 NAAMCO32 NAAMCO32.6H2O NAGAO2 NAGAO2.2H2O NH42MO3.2H2O NH46MO7O24 NH4CN NITBNZ OXAZOLE PUIVMOO4ION PUO35 PYRAZOLE PYRIMIDINE PYRIMIDION SRNO32 SRNO32.4H2O TCROTONTRL ZNHCLCF3SO3ION ZNOCLION