EXOMOL.master # ID 20240808 # Version number with format YYYYMMDD 91 # Number of molecules in the database 225 # Number of isotopologues in the database 107 # Number of datasets in the database 270 # Number of species in the database 11 # Number of molecule names listed Water # Name of the molecule Oxidane # Name of the molecule Hydrogen oxide # Name of the molecule Dihydrogen monoxide # Name of the molecule Hydrogen monoxide # Name of the molecule Dihydrogen oxide # Name of the molecule Hydrogen hydroxide # Name of the molecule Hydric acid # Name of the molecule Hydrohydroxic acid # Name of the molecule Hydroxic acid # Name of the molecule Hydrol # Name of the molecule H2O # Molecule chemical formula 7 # Number of isotopologues considered XLYOFNOQVPJJNP-UHFFFAOYSA-N # Inchi key of isotopologue 1H2-16O # Iso-slug (1H)2(16O) # IsoFormula POKAZATEL # Isotopologue dataset name 20180501 # Version number with format YYYYMMDD XLYOFNOQVPJJNP-OUBTZVSYSA-N # Inchi key of isotopologue 1H2-17O # Iso-slug (1H)2(17O) # IsoFormula HotWat78 # Isotopologue dataset name 20161222 # Version number with format YYYYMMDD XLYOFNOQVPJJNP-NJFSPNSNSA-N # Inchi key of isotopologue 1H2-18O # Iso-slug (1H)2(18O) # IsoFormula HotWat78 # Isotopologue dataset name 20161222 # Version number with format YYYYMMDD XLYOFNOQVPJJNP-DYCDLGHISA-N # Inchi key of isotopologue 1H-2H-16O # Iso-slug (1H)(2H)(16O) # IsoFormula VTT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD XLYOFNOQVPJJNP-DYCDLGHISA-N # Inchi key of isotopologue 1H-2H-16O # Iso-slug (1H)(2H)(16O) # IsoFormula Hewitt # Isotopologue dataset name 20161222 # Version number with format YYYYMMDD XLYOFNOQVPJJNP-DYCDLGHISA-N # Inchi key of isotopologue 1H-2H-16O # Iso-slug (1H)(2H)(16O) # IsoFormula TBD # Isotopologue dataset name 2024xxxx # Version number with format YYYYMMDD XLYOFNOQVPJJNP-ZSJDYOACSA-N # Inchi key of isotopologue 2H2-16O # Iso-slug (2H)2(16O) # IsoFormula Hewitt # Isotopologue dataset name 20161222 # Version number with format YYYYMMDD 0 # Number of molecule names listed CO2 # Molecule chemical formula 14 # Number of isotopologues considered CURLTUGMZLYLDI-UHFFFAOYSA-N # Inchi key of isotopologue 12C-16O2 # Iso-slug (12C)(16O)2 # IsoFormula Zak-16-12-16 # Isotopologue dataset name 20180218 # Version number with format YYYYMMDD CURLTUGMZLYLDI-UHFFFAOYSA-N # Inchi key of isotopologue 12C-16O2 # Iso-slug (12C)(16O)2 # IsoFormula UCL-4000 # Isotopologue dataset name 20200630 # Version number with format YYYYMMDD UGFAIRIUMAVXCW-HQMMCQRPSA-7 # Inchi key of isotopologue 12C-17O2 # Iso-slug (12C)(17O)2 # IsoFormula Zak # Isotopologue dataset name 20180223 # Version number with format YYYYMMDD CURLTUGMZLYLDI-FTOQCNSHSA-N # Inchi key of isotopologue 12C-18O2 # Iso-slug (12C)(18O)2 # IsoFormula Zak # Isotopologue dataset name 20180223 # Version number with format YYYYMMDD CURLTUGMZLYLDI-OUBTZVSYSA-N # Inchi key of isotopologue 13C-16O2 # Iso-slug (13C)(16O)2 # IsoFormula Zak # Isotopologue dataset name 20180223 # Version number with format YYYYMMDD CURLTUGMZLYLDI-VMIGTVKRSA-N # Inchi key of isotopologue 13C-17O2 # Iso-slug (13C)(17O)2 # IsoFormula Zak # Isotopologue dataset name 20180223 # Version number with format YYYYMMDD CURLTUGMZLYLDI-UKEFCNGDSA-N # Inchi key of isotopologue 13C-18O2 # Iso-slug (13C)(18O)2 # IsoFormula Zak # Isotopologue dataset name 20180223 # Version number with format YYYYMMDD CURLTUGMZLYLDI-OUBTZVSYSA-4 # Inchi key of isotopologue 14C-16O2 # Iso-slug (14C)(16O)2 # IsoFormula Zak # Isotopologue dataset name 20180223 # Version number with format YYYYMMDD CURLTUGMZLYLDI-VQEHIDDOSA-N # Inchi key of isotopologue 16O-12C-17O # Iso-slug (16O)(12C)(17O) # IsoFormula Zak # Isotopologue dataset name 20200630 # Version number with format YYYYMMDD CURLTUGMZLYLDI-HQMMCQRPSA-N # Inchi key of isotopologue 16O-12C-18O # Iso-slug (16O)(12C)(18O) # IsoFormula Zak # Isotopologue dataset name 20200630 # Version number with format YYYYMMDD CURLTUGMZLYLDI-ZDOIIHCHSA-N # Inchi key of isotopologue 16O-13C-17O # Iso-slug (16O)(13C)(17O) # IsoFormula Zak # Isotopologue dataset name 20200630 # Version number with format YYYYMMDD CURLTUGMZLYLDI-RGIGPVFXSA-N # Inchi key of isotopologue 16O-13C-18O # Iso-slug (16O)(13C)(18O) # IsoFormula Zak # Isotopologue dataset name 20200630 # Version number with format YYYYMMDD CURLTUGMZLYLDI-JFJVQQHZSA-N # Inchi key of isotopologue 17O-12C-18O # Iso-slug (17O)(12C)(18O) # IsoFormula Zak # Isotopologue dataset name 20200630 # Version number with format YYYYMMDD CURLTUGMZLYLDI-RGIGPVFXSA-X # Inchi key of isotopologue 17O-13C-18O # Iso-slug (17O)(13C)(18O) # IsoFormula Zak # Isotopologue dataset name 20200630 # Version number with format YYYYMMDD 0 # Number of molecule names listed CO # Molecule chemical formula 6 # Number of isotopologues considered UGFAIRIUMAVXCW-UHFFFAOYSA-N # Inchi key of isotopologue 12C-16O # Iso-slug (12C)(16O) # IsoFormula Li2015 # Isotopologue dataset name 20170101 # Version number with format YYYYMMDD UGFAIRIUMAVXCW-OUBTZVSYSA-N # Inchi key of isotopologue 13C-16O # Iso-slug (13C)(16O) # IsoFormula Li2015 # Isotopologue dataset name 20170101 # Version number with format YYYYMMDD UGFAIRIUMAVXCW-HQMMCQRPSA-N # Inchi key of isotopologue 12C-18O # Iso-slug (12C)(18O) # IsoFormula Li2015 # Isotopologue dataset name 20190722 # Version number with format YYYYMMDD UGFAIRIUMAVXCW-VQEHIDDOSA-N # Inchi key of isotopologue 12C-17O # Iso-slug (12C)(17O) # IsoFormula Li2015 # Isotopologue dataset name 20192207 # Version number with format YYYYMMDD UGFAIRIUMAVXCW-RGIGPVFXSA-N # Inchi key of isotopologue 13C-18O # Iso-slug (13C)(18O) # IsoFormula Li2015 # Isotopologue dataset name 20190722 # Version number with format YYYYMMDD UGFAIRIUMAVXCW-ZDOIIHCHSA-N # Inchi key of isotopologue 13C-17O # Iso-slug (13C)(17O) # IsoFormula Li2015 # Isotopologue dataset name 20190722 # Version number with format YYYYMMDD 7 # Number of molecule names listed Methane # Name of the molecule Tetrahydridocarbon # Name of the molecule Carbane # Name of the molecule Marsh gas # Name of the molecule Natural gas # Name of the molecule Carbon tetrahydride # Name of the molecule Hydrogen carbide # Name of the molecule CH4 # Molecule chemical formula 2 # Number of isotopologues considered VNWKTOKETHGBQD-UHFFFAOYSA-N # Inchi key of isotopologue 12C-1H4 # Iso-slug (12C)(1H)4 # IsoFormula YT10to10 # Isotopologue dataset name 20170131 # Version number with format YYYYMMDD VNWKTOKETHGBQD-UHFFFAOYSA-N # Inchi key of isotopologue 12C-1H4 # Iso-slug (12C)(1H)4 # IsoFormula YT34to10 # Isotopologue dataset name 20180131 # Version number with format YYYYMMDD 1 # Number of molecule names listed nitric oxide # Name of the molecule NO # Molecule chemical formula 7 # Number of isotopologues considered MWUXSHHQAYIFBG-UHFFFAOYSA-N # Inchi key of isotopologue 14N-16O # Iso-slug (14N)(16O) # IsoFormula NOname # Isotopologue dataset name 20170517 # Version number with format YYYYMMDD MWUXSHHQAYIFBG-UHFFFAOYSA-N # Inchi key of isotopologue 14N-16O # Iso-slug (14N)(16O) # IsoFormula XABC # Isotopologue dataset name 20210422 # Version number with format YYYYMMDD MWUXSHHQAYIFBG-VQEHIDDOSA-N # Inchi key of isotopologue 14N-17O # Iso-slug (14N)(17O) # IsoFormula NOname # Isotopologue dataset name 20170517 # Version number with format YYYYMMDD MWUXSHHQAYIFBG-HQMMCQRPSA-N # Inchi key of isotopologue 14N-18O # Iso-slug (14N)(18O) # IsoFormula NOname # Isotopologue dataset name 20170517 # Version number with format YYYYMMDD MWUXSHHQAYIFBG-OUBTZVSYSA-N # Inchi key of isotopologue 15N-16O # Iso-slug (15N)(16O) # IsoFormula NOname # Isotopologue dataset name 20170517 # Version number with format YYYYMMDD MWUXSHHQAYIFBG-ZDOIIHCHSA-N # Inchi key of isotopologue 15N-17O # Iso-slug (15N)(17O) # IsoFormula NOname # Isotopologue dataset name 20170517 # Version number with format YYYYMMDD MWUXSHHQAYIFBG-RGIGPVFXSA-N # Inchi key of isotopologue 15N-18O # Iso-slug (15N)(18O) # IsoFormula NOname # Isotopologue dataset name 20170517 # Version number with format YYYYMMDD 4 # Number of molecule names listed Sulfur dioxide # Name of the molecule Sulphur dioxide # Name of the molecule Sulfurous anhydride # Name of the molecule Sulfur(IV) oxide # Name of the molecule SO2 # Molecule chemical formula 1 # Number of isotopologues considered RAHZWNYVWXNFOC-UHFFFAOYSA-N # Inchi key of isotopologue 32S-16O2 # Iso-slug (32S)(16O)2 # IsoFormula ExoAmes # Isotopologue dataset name 20170131 # Version number with format YYYYMMDD 6 # Number of molecule names listed Ammonia # Name of the molecule Ammonia gas # Name of the molecule Nitro-sil # Name of the molecule Azane # Name of the molecule Ammoniakgas # Name of the molecule Spirit of hartshorn # Name of the molecule NH3 # Molecule chemical formula 4 # Number of isotopologues considered QGZKDVFQNNGYKY-UHFFFAOYSA-N # Inchi key of isotopologue 14N-1H3 # Iso-slug (14N)(1H)3 # IsoFormula BYTe # Isotopologue dataset name 20170131 # Version number with format YYYYMMDD QGZKDVFQNNGYKY-UHFFFAOYSA-N # Inchi key of isotopologue 14N-1H3 # Iso-slug (14N)(1H)3 # IsoFormula C2018 # Isotopologue dataset name 20170131 # Version number with format YYYYMMDD QGZKDVFQNNGYKY-UHFFFAOYSA-N # Inchi key of isotopologue 14N-1H3 # Iso-slug (14N)(1H)3 # IsoFormula CoYuTe # Isotopologue dataset name 20191022 # Version number with format YYYYMMDD QGZKDVFQNNGYKY-OUBTZVSYSA-N # Inchi key of isotopologue 15N-1H3 # Iso-slug (15N)(1H)3 # IsoFormula BYTe-15 # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 15N-1H3 # Iso-slug (15N)(1H)3 # IsoFormula CoYuTe-15 # Isotopologue dataset name 20240808 # Version number with format YYYYMMDD 6 # Number of molecule names listed Nitric acid # Name of the molecule Aqua fortis # Name of the molecule Spirit of niter # Name of the molecule Eau forte # Name of the molecule Hydrogen nitrate # Name of the molecule Acidum nitricum # Name of the molecule HNO3 # Molecule chemical formula 1 # Number of isotopologues considered ATQYDUAHJAWUEM-UHFFFAOYSA-N # Inchi key of isotopologue 1H-14N-16O3 # Iso-slug (1H)(14N)(16O)3 # IsoFormula AIJS # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 0 # Number of molecule names listed OH # Molecule chemical formula 2 # Number of isotopologues considered TUJKJAMUKRIRHC-UHFFFAOYSA-N # Inchi key of isotopologue 16O-1H # Iso-slug (16O)(1H) # IsoFormula MoLLIST # Isotopologue dataset name 20180719 # Version number with format YYYYMMDD TUJKJAMUKRIRHC-UHFFFAOYSA-N # Inchi key of isotopologue 16O-1H # Iso-slug (16O)(1H) # IsoFormula MYTHOS # Isotopologue dataset name 2024xxxx # Version number with format YYYYMMDD 0 # Number of molecule names listed HF # Molecule chemical formula 1 # Number of isotopologues considered KRHYYFGTRYWZRS-UHFFFAOYSA-N # Inchi key of isotopologue 1H-19F # Iso-slug (1H)(19F) # IsoFormula Coxon-Hajig # Isotopologue dataset name 20191005 # Version number with format YYYYMMDD 3 # Number of molecule names listed Hydrogen chloride # Name of the molecule Hydrochloric acid # Name of the molecule Hydrochloride # Name of the molecule HCl # Molecule chemical formula 4 # Number of isotopologues considered VEXZGXHMUGYJMC-DQGQKLTASA-N # Inchi key of isotopologue 2H-37Cl # Iso-slug (2H)(37Cl) # IsoFormula HITRAN-HCl # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD VEXZGXHMUGYJMC-UHFFFAOYSA-N # Inchi key of isotopologue 1H-35Cl # Iso-slug (1H)(35Cl) # IsoFormula HITRAN-HCl # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD VEXZGXHMUGYJMC-NJFSPNSNSA-N # Inchi key of isotopologue 1H-37Cl # Iso-slug (1H)(37Cl) # IsoFormula HITRAN-HCl # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD VEXZGXHMUGYJMC-DYCDLGHISA-N # Inchi key of isotopologue 2H-35Cl # Iso-slug (2H)(35Cl) # IsoFormula HITRAN-HCl # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 3 # Number of molecule names listed Formaldehyde # Name of the molecule Methanal # Name of the molecule Carbonous acid # Name of the molecule H2CO # Molecule chemical formula 1 # Number of isotopologues considered WSFSSNUMVMOOMR-UHFFFAOYSA-N # Inchi key of isotopologue 1H2-12C-16O # Iso-slug (1H)2(12C)(16O) # IsoFormula AYTY # Isotopologue dataset name 20161205 # Version number with format YYYYMMDD 0 # Number of molecule names listed N2 # Molecule chemical formula 1 # Number of isotopologues considered IJGRMHOSHXDMSA-UHFFFAOYSA-N # Inchi key of isotopologue 14N2 # Iso-slug (14N)2 # IsoFormula WCCRMT # Isotopologue dataset name 20190916 # Version number with format YYYYMMDD 7 # Number of molecule names listed Hydrogen cyanide # Name of the molecule Formonitrile # Name of the molecule Hydridonitridocarbon # Name of the molecule Formic anammonide # Name of the molecule Hydrocyanic acid # Name of the molecule Prussic acid # Name of the molecule Methanenitrile # Name of the molecule HCN # Molecule chemical formula 2 # Number of isotopologues considered LELOWRISYMNNSU-UHFFFAOYSA-N # Inchi key of isotopologue 1H-12C-14N # Iso-slug (1H)(12C)(14N) # IsoFormula Harris # Isotopologue dataset name 20161205 # Version number with format YYYYMMDD LELOWRISYMNNSU-OUBTZVSYSA-N # Inchi key of isotopologue 1H-13C-14N # Iso-slug (1H)(13C)(14N) # IsoFormula Larner # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 0 # Number of molecule names listed CH3Cl # Molecule chemical formula 2 # Number of isotopologues considered NEHMKBQYUWJMIP-HQMMCQRPSA-N # Inchi key of isotopologue 12C-1H3-37Cl # Iso-slug (12C)(1H)3(37Cl) # IsoFormula OYT # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD NEHMKBQYUWJMIP-UHFFFAOYSA-N # Inchi key of isotopologue 12C-1H3-35Cl # Iso-slug (12C)(1H)3(35Cl) # IsoFormula OYT # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD 3 # Number of molecule names listed Hydrogen peroxide # Name of the molecule Dioxidane # Name of the molecule Oxidanyl # Name of the molecule H2O2 # Molecule chemical formula 2 # Number of isotopologues considered MHAJPDPJQMAIIY-UHFFFAOYSA-N # Inchi key of isotopologue 1H2-16O2 # Iso-slug (1H)2(16O)2 # IsoFormula APTY # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD MHAJPDPJQMAIIY-UHFFFAOYSA-N # Inchi key of isotopologue 1H2-16O2 # Iso-slug (1H)2(16O)2 # IsoFormula AlR # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 0 # Number of molecule names listed C2H2 # Molecule chemical formula 1 # Number of isotopologues considered HSFWRNGVRCDJHI-UHFFFAOYSA-N # Inchi key of isotopologue 12C2-1H2 # Iso-slug (12C)2(1H)2 # IsoFormula aCeTY # Isotopologue dataset name 20200115 # Version number with format YYYYMMDD 5 # Number of molecule names listed Phosphine # Name of the molecule Phosphane # Name of the molecule Phosphamine # Name of the molecule Phosphorus trihydride # Name of the molecule Phosphorated hydrogen # Name of the molecule PH3 # Molecule chemical formula 2 # Number of isotopologues considered XYFCBTPGUUZFHI-UHFFFAOYSA-N # Inchi key of isotopologue 31P-1H3 # Iso-slug (31P)(1H)3 # IsoFormula SYT # Isotopologue dataset name 20170131 # Version number with format YYYYMMDD XYFCBTPGUUZFHI-UHFFFAOYSA-N # Inchi key of isotopologue 31P-1H3 # Iso-slug (31P)(1H)3 # IsoFormula SAlTY # Isotopologue dataset name 20170131 # Version number with format YYYYMMDD 12 # Number of molecule names listed Hydrogen sulfide # Name of the molecule Dihydrogen monosulfide # Name of the molecule Dihydrogen sulfide # Name of the molecule Sewer gas # Name of the molecule Sulfane # Name of the molecule Sulfurated hydrogen # Name of the molecule Sulfureted hydrogen # Name of the molecule Sulfuretted hydrogen # Name of the molecule Sulfur hydride # Name of the molecule Hydrosulfuric acid # Name of the molecule Hydrothionic acid # Name of the molecule Sulfhydric acid # Name of the molecule H2S # Molecule chemical formula 1 # Number of isotopologues considered RWSOTUBLDIXVET-UHFFFAOYSA-N # Inchi key of isotopologue 1H2-32S # Iso-slug (1H)2(32S) # IsoFormula AYT2 # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 0 # Number of molecule names listed C2H4 # Molecule chemical formula 1 # Number of isotopologues considered VGGSQFUCUMXWEO-UHFFFAOYSA-N # Inchi key of isotopologue 12C2-1H4 # Iso-slug (12C)2(1H)4 # IsoFormula MaYTY # Isotopologue dataset name 20180514 # Version number with format YYYYMMDD 2 # Number of molecule names listed Carbon monosulfide # Name of the molecule Carbon(II) sulfide # Name of the molecule CS # Molecule chemical formula 8 # Number of isotopologues considered DXHPZXWIPWDXHJ-XKBLRHCCSA-N # Inchi key of isotopologue 12C-36S # Iso-slug (12C)(36S) # IsoFormula JnK # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD DXHPZXWIPWDXHJ-ZIIAHIFVSA-N # Inchi key of isotopologue 13C-33S # Iso-slug (13C)(33S) # IsoFormula JnK # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD DXHPZXWIPWDXHJ-KUEOXBMXSA-N # Inchi key of isotopologue 13C-34S # Iso-slug (13C)(34S) # IsoFormula JnK # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD DXHPZXWIPWDXHJ-SZZQIKPLSA-N # Inchi key of isotopologue 13C-36S # Iso-slug (13C)(36S) # IsoFormula JnK # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD DXHPZXWIPWDXHJ-UHFFFAOYSA-N # Inchi key of isotopologue 12C-32S # Iso-slug (12C)(32S) # IsoFormula JnK # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD DXHPZXWIPWDXHJ-HQMMCQRPSA-N # Inchi key of isotopologue 12C-34S # Iso-slug (12C)(34S) # IsoFormula JnK # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD DXHPZXWIPWDXHJ-OUBTZVSYSA-N # Inchi key of isotopologue 13C-32S # Iso-slug (13C)(32S) # IsoFormula JnK # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD DXHPZXWIPWDXHJ-VQEHIDDOSA-N # Inchi key of isotopologue 12C-33S # Iso-slug (12C)(33S) # IsoFormula JnK # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 1 # Number of molecule names listed Deuterium hydride # Name of the molecule H2 # Molecule chemical formula 3 # Number of isotopologues considered UFHFLCQGNIYNRP-UHFFFAOYSA-N # Inchi key of isotopologue 1H2 # Iso-slug (1H)2 # IsoFormula RACPPK # Isotopologue dataset name 20191002 # Version number with format YYYYMMDD ZZIJOQHRUPVPQC-OUBTZVSYSA-N # Inchi key of isotopologue 1H-2H # Iso-slug (1H)(2H) # IsoFormula CLT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD ZZIJOQHRUPVPQC-OUBTZVSYSA-N # Inchi key of isotopologue 1H-2H # Iso-slug (1H)(2H) # IsoFormula ADJSAAM # Isotopologue dataset name 20190626 # Version number with format YYYYMMDD 2 # Number of molecule names listed Lithium monohydride # Name of the molecule Lithium(I) hydride # Name of the molecule LiH # Molecule chemical formula 1 # Number of isotopologues considered SIAPCJWMELPYOE-UHFFFAOYSA-N # Inchi key of isotopologue 7Li-1H # Iso-slug (7Li)(1H) # IsoFormula CLT # Isotopologue dataset name 20160927 # Version number with format YYYYMMDD 2 # Number of molecule names listed Lithium monohydride # Name of the molecule Lithium(I) hydride # Name of the molecule LiH+ # Molecule chemical formula 1 # Number of isotopologues considered HSOYNNFNUCWPIZ-UHFFFAOYSA-N # Inchi key of isotopologue 7Li-1H_p # Iso-slug (7Li)(1H)+ # IsoFormula CLT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 3 # Number of molecule names listed Iron monohydride # Name of the molecule Iron(I) hydride # Name of the molecule Iron hydride # Name of the molecule FeH # Molecule chemical formula 1 # Number of isotopologues considered VWDRTGQNZKYVEZ-UHFFFAOYSA-N # Inchi key of isotopologue 56Fe-1H # Iso-slug (56Fe)(1H) # IsoFormula MoLLIST # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 2 # Number of molecule names listed Titanium monohydride # Name of the molecule Titanium(I) hydride # Name of the molecule TiH # Molecule chemical formula 1 # Number of isotopologues considered FUMHXHODRLFENL-UHFFFAOYSA-N # Inchi key of isotopologue 48Ti-1H # Iso-slug (48Ti)(1H) # IsoFormula MoLLIST # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 2 # Number of molecule names listed Beryllium monohydride # Name of the molecule Beryllium(I) hydride # Name of the molecule BeH # Molecule chemical formula 4 # Number of isotopologues considered AYBCUKQQDUJLQN-UHFFFAOYSA-N # Inchi key of isotopologue 9Be-1H # Iso-slug (9Be)(1H) # IsoFormula Yadin-BeH # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD AYBCUKQQDUJLQN-UHFFFAOYSA-N # Inchi key of isotopologue 9Be-1H # Iso-slug (9Be)(1H) # IsoFormula Darby-Lewis # Isotopologue dataset name 20180212 # Version number with format YYYYMMDD AYBCUKQQDUJLQN-UHFFFAOYSA-2 # Inchi key of isotopologue 9Be-2H # Iso-slug (9Be)(2H) # IsoFormula Darby-Lewis # Isotopologue dataset name 20180212 # Version number with format YYYYMMDD AYBCUKQQDUJLQN-UHFFFAOYSA-3 # Inchi key of isotopologue 9Be-3H # Iso-slug (9Be)(3H) # IsoFormula Darby-Lewis # Isotopologue dataset name 20180212 # Version number with format YYYYMMDD 2 # Number of molecule names listed Calcium monohydride # Name of the molecule Calcium(I) hydride # Name of the molecule CaH # Molecule chemical formula 3 # Number of isotopologues considered PKHCKQOIOXDRJH-UHFFFAOYSA-N # Inchi key of isotopologue 40Ca-1H # Iso-slug (40Ca)(1H) # IsoFormula Yadin # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD PKHCKQOIOXDRJH-UHFFFAOYSA-N # Inchi key of isotopologue 40Ca-1H # Iso-slug (40Ca)(1H) # IsoFormula MoLLIST-CaH # Isotopologue dataset name 20191210 # Version number with format YYYYMMDD PKHCKQOIOXDRJH-UHFFFAOYSA-N # Inchi key of isotopologue 40Ca-1H # Iso-slug (40Ca)(1H) # IsoFormula XAB # Isotopologue dataset name 20220211 # Version number with format YYYYMMDD 4 # Number of molecule names listed Chromium(I) hydride # Name of the molecule Chromium hydride # Name of the molecule Chromium monohydride # Name of the molecule Chromhydrid # Name of the molecule CrH # Molecule chemical formula 1 # Number of isotopologues considered SEGIELJIHJYODU-UHFFFAOYSA-N # Inchi key of isotopologue 52Cr-1H # Iso-slug (52Cr)(1H) # IsoFormula MoLLIST # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 0 # Number of molecule names listed SiH # Molecule chemical formula 4 # Number of isotopologues considered QHGSGZLLHBKSAH-NJFSPNSNSA-N # Inchi key of isotopologue 30Si-1H # Iso-slug (30Si)(1H) # IsoFormula SiGHTLY # Isotopologue dataset name 20171101 # Version number with format YYYYMMDD QHGSGZLLHBKSAH-MICDWDOJSA-N # Inchi key of isotopologue 28Si-2H # Iso-slug (28Si)(2H) # IsoFormula SiGHTLY # Isotopologue dataset name 20171101 # Version number with format YYYYMMDD QHGSGZLLHBKSAH-UHFFFAOYSA-N # Inchi key of isotopologue 28Si-1H # Iso-slug (28Si)(1H) # IsoFormula SiGHTLY # Isotopologue dataset name 20171101 # Version number with format YYYYMMDD QHGSGZLLHBKSAH-OUBTZVSYSA-N # Inchi key of isotopologue 29Si-1H # Iso-slug (29Si)(1H) # IsoFormula SiGHTLY # Isotopologue dataset name 20171101 # Version number with format YYYYMMDD 0 # Number of molecule names listed AlH # Molecule chemical formula 5 # Number of isotopologues considered SPRIOUNJHPCKPV-IEOVAKBOSA-X # Inchi key of isotopologue 26Al-1H # Iso-slug (26Al)(1H) # IsoFormula AlHambra # Isotopologue dataset name 20180515 # Version number with format YYYYMMDD SPRIOUNJHPCKPV-UHFFFAOYSA-N # Inchi key of isotopologue 27Al-1H # Iso-slug (27Al)(1H) # IsoFormula AlHambra # Isotopologue dataset name 20180515 # Version number with format YYYYMMDD SPRIOUNJHPCKPV-UHFFFAOYSA-N # Inchi key of isotopologue 27Al-1H # Iso-slug (27Al)(1H) # IsoFormula AloHa # Isotopologue dataset name 20240307 # Version number with format YYYYMMDD SPRIOUNJHPCKPV-IEOVAKBOSA-N # Inchi key of isotopologue 27Al-2H # Iso-slug (27Al)(2H) # IsoFormula AlHambra # Isotopologue dataset name 20180515 # Version number with format YYYYMMDD SPRIOUNJHPCKPV-IEOVAKBOSA-N # Inchi key of isotopologue 27Al-2H # Iso-slug (27Al)(2H) # IsoFormula AloHa # Isotopologue dataset name 20240307 # Version number with format YYYYMMDD 1 # Number of molecule names listed Sodium hydride # Name of the molecule NaH # Molecule chemical formula 2 # Number of isotopologues considered MPMYQQHEHYDOCL-UHFFFAOYSA-N # Inchi key of isotopologue 23Na-1H # Iso-slug (23Na)(1H) # IsoFormula Rivlin # Isotopologue dataset name 20160804 # Version number with format YYYYMMDD MPMYQQHEHYDOCL-VQEHIDDOSA-N # Inchi key of isotopologue 23Na-2H # Iso-slug (23Na)(2H) # IsoFormula Rivlin # Isotopologue dataset name 20160804 # Version number with format YYYYMMDD 2 # Number of molecule names listed Magnesium monohydride # Name of the molecule Magnesium(I) hydride # Name of the molecule MgH # Molecule chemical formula 7 # Number of isotopologues considered RZCHRULKKYOSQS-UHFFFAOYSA-N # Inchi key of isotopologue 24Mg-1H # Iso-slug (24Mg)(1H) # IsoFormula Yadin # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD RZCHRULKKYOSQS-UHFFFAOYSA-N # Inchi key of isotopologue 24Mg-1H # Iso-slug (24Mg)(1H) # IsoFormula MoLLIST # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD RZCHRULKKYOSQS-UHFFFAOYSA-N # Inchi key of isotopologue 24Mg-1H # Iso-slug (24Mg)(1H) # IsoFormula XAB # Isotopologue dataset name 20220211 # Version number with format YYYYMMDD RZCHRULKKYOSQS-YTBWXGASSA-N # Inchi key of isotopologue 25Mg-1H # Iso-slug (25Mg)(1H) # IsoFormula Yadin # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD RZCHRULKKYOSQS-YTBWXGASSA-N # Inchi key of isotopologue 25Mg-1H # Iso-slug (25Mg)(1H) # IsoFormula XAB # Isotopologue dataset name 20220211 # Version number with format YYYYMMDD RZCHRULKKYOSQS-DEQYMQKBSA-N # Inchi key of isotopologue 26Mg-1H # Iso-slug (26Mg)(1H) # IsoFormula Yadin # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD RZCHRULKKYOSQS-DEQYMQKBSA-N # Inchi key of isotopologue 26Mg-1H # Iso-slug (26Mg)(1H) # IsoFormula XAB # Isotopologue dataset name 20220211 # Version number with format YYYYMMDD 1 # Number of molecule names listed Silicon monoxide # Name of the molecule SiO # Molecule chemical formula 7 # Number of isotopologues considered LIVNPJMFVYWSIS-UHFFFAOYSA-N # Inchi key of isotopologue 28Si-16O # Iso-slug (28Si)(16O) # IsoFormula EBJT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD LIVNPJMFVYWSIS-UHFFFAOYSA-N # Inchi key of isotopologue 28Si-16O # Iso-slug (28Si)(16O) # IsoFormula Kurucz-SiO # Isotopologue dataset name 20200707 # Version number with format YYYYMMDD LIVNPJMFVYWSIS-UHFFFAOYSA-N # Inchi key of isotopologue 28Si-16O # Iso-slug (28Si)(16O) # IsoFormula SiOUVenIR # Isotopologue dataset name 20211105 # Version number with format YYYYMMDD LIVNPJMFVYWSIS-OUBTZVSYSA-N # Inchi key of isotopologue 28Si-17O # Iso-slug (28Si)(17O) # IsoFormula EBJT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD LIVNPJMFVYWSIS-NJFSPNSNSA-N # Inchi key of isotopologue 28Si-18O # Iso-slug (28Si)(18O) # IsoFormula EBJT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD LIVNPJMFVYWSIS-VQEHIDDOSA-N # Inchi key of isotopologue 29Si-16O # Iso-slug (29Si)(16O) # IsoFormula EBJT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD LIVNPJMFVYWSIS-HQMMCQRPSA-N # Inchi key of isotopologue 30Si-16O # Iso-slug (30Si)(16O) # IsoFormula EBJT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 0 # Number of molecule names listed TiO # Molecule chemical formula 5 # Number of isotopologues considered KZWJQQBLIBIGGJ-FXMLPJBTSA-N # Inchi key of isotopologue 46Ti-16O # Iso-slug (46Ti)(16O) # IsoFormula Toto # Isotopologue dataset name 20190514 # Version number with format YYYYMMDD KZWJQQBLIBIGGJ-DEQYMQKBSA-N # Inchi key of isotopologue 50Ti-16O # Iso-slug (50Ti)(16O) # IsoFormula Toto # Isotopologue dataset name 20190514 # Version number with format YYYYMMDD KZWJQQBLIBIGGJ-UHFFFAOYSA-N # Inchi key of isotopologue 48Ti-16O # Iso-slug (48Ti)(16O) # IsoFormula Toto # Isotopologue dataset name 20190514 # Version number with format YYYYMMDD KZWJQQBLIBIGGJ-ULWFUOSBSA-N # Inchi key of isotopologue 47Ti-16O # Iso-slug (47Ti)(16O) # IsoFormula Toto # Isotopologue dataset name 20190514 # Version number with format YYYYMMDD KZWJQQBLIBIGGJ-YTBWXGASSA-N # Inchi key of isotopologue 49Ti-16O # Iso-slug (49Ti)(16O) # IsoFormula Toto # Isotopologue dataset name 20190514 # Version number with format YYYYMMDD 0 # Number of molecule names listed MgO # Molecule chemical formula 5 # Number of isotopologues considered MXDVONUOKSYWHF-NJFSPNSNSA-N # Inchi key of isotopologue 26Mg-16O # Iso-slug (26Mg)(16O) # IsoFormula LiTY # Isotopologue dataset name 20190401 # Version number with format YYYYMMDD MXDVONUOKSYWHF-HQMMCQRPSA-N # Inchi key of isotopologue 24Mg-18O # Iso-slug (24Mg)(18O) # IsoFormula LiTY # Isotopologue dataset name 20190401 # Version number with format YYYYMMDD MXDVONUOKSYWHF-VQEHIDDOSA-N # Inchi key of isotopologue 24Mg-17O # Iso-slug (24Mg)(17O) # IsoFormula LiTY # Isotopologue dataset name 20190401 # Version number with format YYYYMMDD AXZKOIWUVFPNLO-UHFFFAOYSA-N # Inchi key of isotopologue 24Mg-16O # Iso-slug (24Mg)(16O) # IsoFormula LiTY # Isotopologue dataset name 20190401 # Version number with format YYYYMMDD MXDVONUOKSYWHF-OUBTZVSYSA-N # Inchi key of isotopologue 25Mg-16O # Iso-slug (25Mg)(16O) # IsoFormula LiTY # Isotopologue dataset name 20190401 # Version number with format YYYYMMDD 2 # Number of molecule names listed Trihydrogen cation # Name of the molecule Protonated molecular hydrogen # Name of the molecule H3+ # Molecule chemical formula 5 # Number of isotopologues considered QWLPJNYQVKBMAN-UHFFFAOYSA-N # Inchi key of isotopologue 1H3_p # Iso-slug (1H)3+ # IsoFormula NMT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD QWLPJNYQVKBMAN-UHFFFAOYSA-N # Inchi key of isotopologue 1H3_p # Iso-slug (1H)3+ # IsoFormula MiZATeP # Isotopologue dataset name 20221221 # Version number with format YYYYMMDD QWLPJNYQVKBMAN-OUBTZVSYSA-N # Inchi key of isotopologue 1H2-2H_p # Iso-slug (1H)2(2H)+ # IsoFormula ST # Isotopologue dataset name 20221221 # Version number with format YYYYMMDD QWLPJNYQVKBMAN-WGVGGRBOSA-N # Inchi key of isotopologue 2H3_p # Iso-slug (2H)3+ # IsoFormula MiZo # Isotopologue dataset name 20221221 # Version number with format YYYYMMDD QWLPJNYQVKBMAN-VVKOMZTBSA-N # Inchi key of isotopologue 2H2-1H_p # Iso-slug (2H)2(1H)+ # IsoFormula MiZo # Isotopologue dataset name 20221221 # Version number with format YYYYMMDD 3 # Number of molecule names listed Helium hydride ion # Name of the molecule Hydridohelium(1+) # Name of the molecule helium-hydride molecular ion # Name of the molecule HeH+ # Molecule chemical formula 8 # Number of isotopologues considered HSFAAVLNFOAYQX-BJUDXGSMSA-N # Inchi key of isotopologue 3He-1H_p # Iso-slug (3He)(1H)+ # IsoFormula Engel # Isotopologue dataset name 20161017 # Version number with format YYYYMMDD HSFAAVLNFOAYQX-BJUDXGSMSA-N # Inchi key of isotopologue 3He-1H_p # Iso-slug (3He)(1H)+ # IsoFormula ADJSAAM # Isotopologue dataset name 20190626 # Version number with format YYYYMMDD HSFAAVLNFOAYQX-UHFFFAOYSA-N # Inchi key of isotopologue 4He-1H_p # Iso-slug (4He)(1H)+ # IsoFormula Engel # Isotopologue dataset name 20160815 # Version number with format YYYYMMDD HSFAAVLNFOAYQX-UHFFFAOYSA-N # Inchi key of isotopologue 4He-1H_p # Iso-slug (4He)(1H)+ # IsoFormula ADJSAAM # Isotopologue dataset name 20190625 # Version number with format YYYYMMDD HSFAAVLNFOAYQX-QIAWKQIGSA-N # Inchi key of isotopologue 3He-2H_p # Iso-slug (3He)(2H)+ # IsoFormula Engel # Isotopologue dataset name 20161017 # Version number with format YYYYMMDD HSFAAVLNFOAYQX-QIAWKQIGSA-N # Inchi key of isotopologue 3He-2H_p # Iso-slug (3He)(2H)+ # IsoFormula ADJSAAM # Isotopologue dataset name 20190625 # Version number with format YYYYMMDD HSFAAVLNFOAYQX-MICDWDOJSA-N # Inchi key of isotopologue 4He-2H_p # Iso-slug (4He)(2H)+ # IsoFormula Engel # Isotopologue dataset name 20161017 # Version number with format YYYYMMDD HSFAAVLNFOAYQX-MICDWDOJSA-N # Inchi key of isotopologue 4He-2H_p # Iso-slug (4He)(2H)+ # IsoFormula ADJSAAM # Isotopologue dataset name 20190625 # Version number with format YYYYMMDD 1 # Number of molecule names listed Deuterium hydride ion # Name of the molecule H2+ # Molecule chemical formula 2 # Number of isotopologues considered ZZIJOQHRUPVPQC-OUBTZVSYSA-N # Inchi key of isotopologue 1H-2H_p # Iso-slug (1H)(2H)+ # IsoFormula CLT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD ZZIJOQHRUPVPQC-OUBTZVSYSA-N # Inchi key of isotopologue 1H-2H_p # Iso-slug (1H)(2H)+ # IsoFormula ADJSAAM # Isotopologue dataset name 20190625 # Version number with format YYYYMMDD 3 # Number of molecule names listed Diatomic carbon # Name of the molecule Ethenediylidene # Name of the molecule Dicarbon # Name of the molecule C2 # Molecule chemical formula 5 # Number of isotopologues considered LBVWYGNGGJURHQ-UHFFFAOYSA-N # Inchi key of isotopologue 12C2 # Iso-slug (12C)2 # IsoFormula Yueqi # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD LBVWYGNGGJURHQ-UHFFFAOYSA-N # Inchi key of isotopologue 12C2 # Iso-slug (12C)2 # IsoFormula 8states # Isotopologue dataset name 20180501 # Version number with format YYYYMMDD LBVWYGNGGJURHQ-UHFFFAOYSA-N # Inchi key of isotopologue 12C2 # Iso-slug (12C)2 # IsoFormula MoLLIST-C2 # Isotopologue dataset name 20190503 # Version number with format YYYYMMDD LBVWYGNGGJURHQ-VQEHIDDOSA-N # Inchi key of isotopologue 12C-13C # Iso-slug (12C)(13C) # IsoFormula 8states # Isotopologue dataset name 20180501 # Version number with format YYYYMMDD LBVWYGNGGJURHQ-ZDOIIHCHSA-N # Inchi key of isotopologue 13C2 # Iso-slug (13C)2 # IsoFormula 8states # Isotopologue dataset name 20180501 # Version number with format YYYYMMDD 2 # Number of molecule names listed Cyanide # Name of the molecule Cyano group # Name of the molecule CN # Molecule chemical formula 5 # Number of isotopologues considered JEVCWSUVFOYBFI-UHFFFAOYSA-N # Inchi key of isotopologue 12C-14N # Iso-slug (12C)(14N) # IsoFormula MoLLIST-CN # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD JEVCWSUVFOYBFI-UHFFFAOYSA-N # Inchi key of isotopologue 12C-14N # Iso-slug (12C)(14N) # IsoFormula Trihybrid # Isotopologue dataset name 20210526 # Version number with format YYYYMMDD JEVCWSUVFOYBFI-VQEHIDDOSA-N # Inchi key of isotopologue 12C-15N # Iso-slug (12C)(15N) # IsoFormula Trihybrid # Isotopologue dataset name 20210526 # Version number with format YYYYMMDD JEVCWSUVFOYBFI-OUBTZVSYSA-N # Inchi key of isotopologue 13C-14N # Iso-slug (13C)(14N) # IsoFormula Trihybrid # Isotopologue dataset name 20210526 # Version number with format YYYYMMDD JEVCWSUVFOYBFI-ZDOIIHCHSA-N # Inchi key of isotopologue 13C-15N # Iso-slug (13C)(15N) # IsoFormula Trihybrid # Isotopologue dataset name 20210526 # Version number with format YYYYMMDD 3 # Number of molecule names listed Methylidyne # Name of the molecule hydridocarbon # Name of the molecule carbyne # Name of the molecule CH # Molecule chemical formula 2 # Number of isotopologues considered VRLIPUYDFBXWCH-UHFFFAOYSA-N # Inchi key of isotopologue 12C-1H # Iso-slug (12C)(1H) # IsoFormula MoLLIST # Isotopologue dataset name 20190214 # Version number with format YYYYMMDD VRLIPUYDFBXWCH-OUBTZVSYSA-N # Inchi key of isotopologue 13C-1H # Iso-slug (13C)(1H) # IsoFormula MoLLIST # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 0 # Number of molecule names listed LiCl # Molecule chemical formula 4 # Number of isotopologues considered KWGKDLIKAYFUFQ-UHFFFAOYSA-M # Inchi key of isotopologue 7Li-35Cl # Iso-slug (7Li)(35Cl) # IsoFormula MoLLIST # Isotopologue dataset name 20180709 # Version number with format YYYYMMDD KWGKDLIKAYFUFQ-DEQYMQKBSA-M # Inchi key of isotopologue 7Li-37Cl # Iso-slug (7Li)(37Cl) # IsoFormula MoLLIST # Isotopologue dataset name 20180709 # Version number with format YYYYMMDD KWGKDLIKAYFUFQ-DEQYMQKBSA-X # Inchi key of isotopologue 6Li-37Cl # Iso-slug (6Li)(37Cl) # IsoFormula MoLLIST # Isotopologue dataset name 20180709 # Version number with format YYYYMMDD KWGKDLIKAYFUFQ-UHFFFAOYSA-X # Inchi key of isotopologue 6Li-35Cl # Iso-slug (6Li)(35Cl) # IsoFormula MoLLIST # Isotopologue dataset name 20180709 # Version number with format YYYYMMDD 7 # Number of molecule names listed Sodium chloride # Name of the molecule Common salt # Name of the molecule Halite # Name of the molecule Rock salt # Name of the molecule Saline # Name of the molecule Sodium chloric # Name of the molecule Table salt # Name of the molecule NaCl # Molecule chemical formula 2 # Number of isotopologues considered FAPWRFPIFSIZLT-UHFFFAOYSA-M # Inchi key of isotopologue 23Na-35Cl # Iso-slug (23Na)(35Cl) # IsoFormula Barton # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD FAPWRFPIFSIZLT-DEQYMQKBSA-M # Inchi key of isotopologue 23Na-37Cl # Iso-slug (23Na)(37Cl) # IsoFormula Barton # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 1 # Number of molecule names listed Nitrogen monohydride # Name of the molecule NH # Molecule chemical formula 5 # Number of isotopologues considered PDCKRJPYJMCOFO-UHFFFAOYSA-N # Inchi key of isotopologue 14N-1H # Iso-slug (14N)(1H) # IsoFormula MoLLIST # Isotopologue dataset name 20180724 # Version number with format YYYYMMDD PDCKRJPYJMCOFO-UHFFFAOYSA-N # Inchi key of isotopologue 14N-1H # Iso-slug (14N)(1H) # IsoFormula kNigHt # Isotopologue dataset name 20240301 # Version number with format YYYYMMDD PDCKRJPYJMCOFO-MICDWDOJSA-N # Inchi key of isotopologue 14N-2H # Iso-slug (14N)(2H) # IsoFormula kNigHt # Isotopologue dataset name 20240301 # Version number with format YYYYMMDD PWRPVZHGGJTREH-OUBTZVSYSA-N # Inchi key of isotopologue 15N-1H # Iso-slug (15N)(1H) # IsoFormula kNigHt # Isotopologue dataset name 20240301 # Version number with format YYYYMMDD SHQROCLHCPBSPB-ZIIAHIFVSA-N # Inchi key of isotopologue 15N-2H # Iso-slug (15N)(2H) # IsoFormula kNigHt # Isotopologue dataset name 20240301 # Version number with format YYYYMMDD 3 # Number of molecule names listed Sulfur trioxide # Name of the molecule Sulfonylideneoxidane # Name of the molecule Sulfuric anhydride # Name of the molecule SO3 # Molecule chemical formula 2 # Number of isotopologues considered AKEJUJNQAAGONA-UHFFFAOYSA-N # Inchi key of isotopologue 32S-16O3 # Iso-slug (32S)(16O)3 # IsoFormula UYT # Isotopologue dataset name 20170107 # Version number with format YYYYMMDD AKEJUJNQAAGONA-UHFFFAOYSA-N # Inchi key of isotopologue 32S-16O3 # Iso-slug (32S)(16O)3 # IsoFormula UYT2 # Isotopologue dataset name 20170107 # Version number with format YYYYMMDD 0 # Number of molecule names listed YO # Molecule chemical formula 1 # Number of isotopologues considered APUGIHICMSAKGR-UHFFFAOYSA-N # Inchi key of isotopologue 89Y-16O # Iso-slug (89Y)(16O) # IsoFormula SSYT # Isotopologue dataset name 20190501 # Version number with format YYYYMMDD 4 # Number of molecule names listed Vanadium oxide (VO) # Name of the molecule Vanadium(II) oxide # Name of the molecule Vanadium monooxide # Name of the molecule Oxovanadium # Name of the molecule VO # Molecule chemical formula 1 # Number of isotopologues considered IBYSTTGVDIFUAY-UHFFFAOYSA-N # Inchi key of isotopologue 51V-16O # Iso-slug (51V)(16O) # IsoFormula VOMYT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 0 # Number of molecule names listed SH # Molecule chemical formula 10 # Number of isotopologues considered PXQLVRUNWNTZOS-UHFFFAOYSA-N # Inchi key of isotopologue 32S-1H # Iso-slug (32S)(1H) # IsoFormula SNaSH-SH # Isotopologue dataset name 20180101 # Version number with format YYYYMMDD PXQLVRUNWNTZOS-UHFFFAOYSA-N # Inchi key of isotopologue 32S-1H # Iso-slug (32S)(1H) # IsoFormula GYT # Isotopologue dataset name 20190801 # Version number with format YYYYMMDD PXQLVRUNWNTZOS-OUBTZVSYSA-N # Inchi key of isotopologue 33S-1H # Iso-slug (33S)(1H) # IsoFormula SNaSH-SH # Isotopologue dataset name 20180101 # Version number with format YYYYMMDD PXQLVRUNWNTZOS-OUBTZVSYSA-N # Inchi key of isotopologue 33S-1H # Iso-slug (33S)(1H) # IsoFormula GYT # Isotopologue dataset name 20190801 # Version number with format YYYYMMDD PXQLVRUNWNTZOS-NJFSPNSNSA-N # Inchi key of isotopologue 34S-1H # Iso-slug (34S)(1H) # IsoFormula SNaSH-SH # Isotopologue dataset name 20180101 # Version number with format YYYYMMDD PXQLVRUNWNTZOS-NJFSPNSNSA-N # Inchi key of isotopologue 34S-1H # Iso-slug (34S)(1H) # IsoFormula GYT # Isotopologue dataset name 20190801 # Version number with format YYYYMMDD PXQLVRUNWNTZOS-RNFDNDRNSA-N # Inchi key of isotopologue 36S-1H # Iso-slug (36S)(1H) # IsoFormula SNaSH-SH # Isotopologue dataset name 20180101 # Version number with format YYYYMMDD PXQLVRUNWNTZOS-RNFDNDRNSA-N # Inchi key of isotopologue 36S-1H # Iso-slug (36S)(1H) # IsoFormula GYT # Isotopologue dataset name 20190801 # Version number with format YYYYMMDD PXQLVRUNWNTZOS-MICDWDOJSA-N # Inchi key of isotopologue 32S-2H # Iso-slug (32S)(2H) # IsoFormula SNaSH-SH # Isotopologue dataset name 20180101 # Version number with format YYYYMMDD PXQLVRUNWNTZOS-MICDWDOJSA-N # Inchi key of isotopologue 32S-2H # Iso-slug (32S)(2H) # IsoFormula GYT # Isotopologue dataset name 20190801 # Version number with format YYYYMMDD 2 # Number of molecule names listed Aluminium(II) oxide # Name of the molecule Aluminium monoxide # Name of the molecule AlO # Molecule chemical formula 4 # Number of isotopologues considered AIRCTMFFNKZQPN-BJUDXGSMSA-N # Inchi key of isotopologue 26Al-16O # Iso-slug (26Al)(16O) # IsoFormula ATP # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD AIRCTMFFNKZQPN-VQEHIDDOSA-N # Inchi key of isotopologue 27Al-17O # Iso-slug (27Al)(17O) # IsoFormula ATP # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD AIRCTMFFNKZQPN-HQMMCQRPSA-N # Inchi key of isotopologue 27Al-18O # Iso-slug (27Al)(18O) # IsoFormula ATP # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD AIRCTMFFNKZQPN-UHFFFAOYSA-N # Inchi key of isotopologue 27Al-16O # Iso-slug (27Al)(16O) # IsoFormula ATP # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 2 # Number of molecule names listed Scandium monohydride # Name of the molecule Scandium(I) hydride # Name of the molecule ScH # Molecule chemical formula 1 # Number of isotopologues considered ZTOCXCPDHKWLBM-UHFFFAOYSA-N # Inchi key of isotopologue 45Sc-1H # Iso-slug (45Sc)(1H) # IsoFormula LYT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 3 # Number of molecule names listed Potassium chloride # Name of the molecule Sylvite # Name of the molecule Muriate of potash # Name of the molecule KCl # Molecule chemical formula 4 # Number of isotopologues considered WCUXLLCKKVVCTQ-UHFFFAOYSA-M # Inchi key of isotopologue 39K-35Cl # Iso-slug (39K)(35Cl) # IsoFormula Barton # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD WCUXLLCKKVVCTQ-DEQYMQKBSA-M # Inchi key of isotopologue 39K-37Cl # Iso-slug (39K)(37Cl) # IsoFormula Barton # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD WCUXLLCKKVVCTQ-NLQOEHMXSA-M # Inchi key of isotopologue 41K-35Cl # Iso-slug (41K)(35Cl) # IsoFormula Barton # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD WCUXLLCKKVVCTQ-OPUYPRJVSA-M # Inchi key of isotopologue 41K-37Cl # Iso-slug (41K)(37Cl) # IsoFormula Barton # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 5 # Number of molecule names listed Calcium oxide # Name of the molecule Quicklime # Name of the molecule burnt lime # Name of the molecule unslaked lime # Name of the molecule pebble lime # Name of the molecule CaO # Molecule chemical formula 1 # Number of isotopologues considered ODINCKMPIJJUCX-UHFFFAOYSA-N # Inchi key of isotopologue 40Ca-16O # Iso-slug (40Ca)(16O) # IsoFormula VBATHY # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 1 # Number of molecule names listed Carbon phosphorous # Name of the molecule CP # Molecule chemical formula 1 # Number of isotopologues considered GDPLAAHPHNAIGW-UHFFFAOYSA-N # Inchi key of isotopologue 12C-31P # Iso-slug (12C)(31P) # IsoFormula MoLLIST # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD 1 # Number of molecule names listed Phosphorus mononitride # Name of the molecule PN # Molecule chemical formula 4 # Number of isotopologues considered AOPJVJYWEDDOBI-OUBTZVSYSA-N # Inchi key of isotopologue 31P-15N # Iso-slug (31P)(15N) # IsoFormula YYLT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD AOPJVJYWEDDOBI-OUBTZVSYSA-N # Inchi key of isotopologue 31P-15N # Iso-slug (31P)(15N) # IsoFormula PaiN # Isotopologue dataset name 20240505 # Version number with format YYYYMMDD AOPJVJYWEDDOBI-UHFFFAOYSA-N # Inchi key of isotopologue 31P-14N # Iso-slug (31P)(14N) # IsoFormula YYLT # Isotopologue dataset name 20160726 # Version number with format YYYYMMDD AOPJVJYWEDDOBI-UHFFFAOYSA-N # Inchi key of isotopologue 31P-14N # Iso-slug (31P)(14N) # IsoFormula PaiN # Isotopologue dataset name 20240505 # Version number with format YYYYMMDD 0 # Number of molecule names listed PS # Molecule chemical formula 1 # Number of isotopologues considered VKCLPVFDVVKEKU-UHFFFAOYSA-N # Inchi key of isotopologue 31P-32S # Iso-slug (31P)(32S) # IsoFormula POPS # Isotopologue dataset name 20170910 # Version number with format YYYYMMDD 0 # Number of molecule names listed PO # Molecule chemical formula 1 # Number of isotopologues considered LFGREXWGYUGZLY-UHFFFAOYSA-N # Inchi key of isotopologue 31P-16O # Iso-slug (31P)(16O) # IsoFormula POPS # Isotopologue dataset name 20170910 # Version number with format YYYYMMDD 0 # Number of molecule names listed SiH4 # Molecule chemical formula 1 # Number of isotopologues considered BLRPTPMANUNPDV-UHFFFAOYSA-N # Inchi key of isotopologue 28Si-1H4 # Iso-slug (28Si)(1H)4 # IsoFormula OY2T # Isotopologue dataset name 20170131 # Version number with format YYYYMMDD 0 # Number of molecule names listed NS # Molecule chemical formula 5 # Number of isotopologues considered QXTCFDCJXWLNAP-OUBTZVSYSA-N # Inchi key of isotopologue 15N-32S # Iso-slug (15N)(32S) # IsoFormula SNaSH # Isotopologue dataset name 20180101 # Version number with format YYYYMMDD QXTCFDCJXWLNAP-VQEHIDDOSA-N # Inchi key of isotopologue 14N-33S # Iso-slug (14N)(33S) # IsoFormula SNaSH # Isotopologue dataset name 20180101 # Version number with format YYYYMMDD QXTCFDCJXWLNAP-HQMMCQRPSA-N # Inchi key of isotopologue 14N-34S # Iso-slug (14N)(34S) # IsoFormula SNaSH # Isotopologue dataset name 20180101 # Version number with format YYYYMMDD QXTCFDCJXWLNAP-XKBLRHCCSA-N # Inchi key of isotopologue 14N-36S # Iso-slug (14N)(36S) # IsoFormula SNaSH # Isotopologue dataset name 20180101 # Version number with format YYYYMMDD QXTCFDCJXWLNAP-UHFFFAOYSA-N # Inchi key of isotopologue 14N-32S # Iso-slug (14N)(32S) # IsoFormula SNaSH # Isotopologue dataset name 20180101 # Version number with format YYYYMMDD 0 # Number of molecule names listed CH3F # Molecule chemical formula 1 # Number of isotopologues considered NBVXSUQYWXRMNV-UHFFFAOYSA-N # Inchi key of isotopologue 12C-1H3-19F # Iso-slug (12C)(1H)3(19F) # IsoFormula OYKYT # Isotopologue dataset name 20180401 # Version number with format YYYYMMDD 0 # Number of molecule names listed SiS # Molecule chemical formula 12 # Number of isotopologues considered DWFFKGPZNGKUPH-OUBTZVSYSA-N # Inchi key of isotopologue 29Si-32S # Iso-slug (29Si)(32S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-RGIGPVFXSA-N # Inchi key of isotopologue 29Si-34S # Iso-slug (29Si)(34S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-JOTDZXCOSA-N # Inchi key of isotopologue 29Si-36S # Iso-slug (29Si)(36S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-NJFSPNSNSA-N # Inchi key of isotopologue 30Si-32S # Iso-slug (30Si)(32S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-WWQQEUHZSA-N # Inchi key of isotopologue 30Si-33S # Iso-slug (30Si)(33S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-XPULMUKRSA-N # Inchi key of isotopologue 30Si-34S # Iso-slug (30Si)(34S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-NBRKPRHBSA-N # Inchi key of isotopologue 30Si-36S # Iso-slug (30Si)(36S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-ZDOIIHCHSA-N # Inchi key of isotopologue 29Si-33S # Iso-slug (29Si)(33S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-UHFFFAOYSA-N # Inchi key of isotopologue 28Si-32S # Iso-slug (28Si)(32S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-VQEHIDDOSA-N # Inchi key of isotopologue 28Si-33S # Iso-slug (28Si)(33S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-HQMMCQRPSA-N # Inchi key of isotopologue 28Si-34S # Iso-slug (28Si)(34S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD DWFFKGPZNGKUPH-XKBLRHCCSA-N # Inchi key of isotopologue 28Si-36S # Iso-slug (28Si)(36S) # IsoFormula UCTY # Isotopologue dataset name 20180601 # Version number with format YYYYMMDD 0 # Number of molecule names listed LiF # Molecule chemical formula 2 # Number of isotopologues considered PQXKHYXIUOZZFA-UHFFFAOYSA-M # Inchi key of isotopologue 7Li-19F # Iso-slug (7Li)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180706 # Version number with format YYYYMMDD PQXKHYXIUOZZFA-UHFFFAOYSA-X # Inchi key of isotopologue 6Li-19F # Iso-slug (6Li)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180706 # Version number with format YYYYMMDD 0 # Number of molecule names listed NaF # Molecule chemical formula 1 # Number of isotopologues considered PUZPDOWCWNUUKD-UHFFFAOYSA-M # Inchi key of isotopologue 23Na-19F # Iso-slug (23Na)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD 0 # Number of molecule names listed KF # Molecule chemical formula 2 # Number of isotopologues considered NROKBHXJSPEDAR-UHFFFAOYSA-M # Inchi key of isotopologue 39K-19F # Iso-slug (39K)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180716 # Version number with format YYYYMMDD UNBLQQOGXZQQHO-NLQOEHMXSA-M # Inchi key of isotopologue 41K-19F # Iso-slug (41K)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180716 # Version number with format YYYYMMDD 0 # Number of molecule names listed AlCl # Molecule chemical formula 6 # Number of isotopologues considered IZMHKHHRLNWLMK-UHFFFAOYSA-M # Inchi key of isotopologue 27Al-35Cl # Iso-slug (27Al)(35Cl) # IsoFormula MoLLIST-AlCl # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD IZMHKHHRLNWLMK-UHFFFAOYSA-M # Inchi key of isotopologue 27Al-35Cl # Iso-slug (27Al)(35Cl) # IsoFormula Bernath # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD IZMHKHHRLNWLMK-UHFFFAOYSA-M # Inchi key of isotopologue 27Al-35Cl # Iso-slug (27Al)(35Cl) # IsoFormula YNAT # Isotopologue dataset name 20221231 # Version number with format YYYYMMDD HLMARYJDZMOJJC-HQMMCQRPSA-N # Inchi key of isotopologue 27Al-37Cl # Iso-slug (27Al)(37Cl) # IsoFormula MoLLIST-AlCl # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD HLMARYJDZMOJJC-HQMMCQRPSA-N # Inchi key of isotopologue 27Al-37Cl # Iso-slug (27Al)(37Cl) # IsoFormula Bernath # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD HLMARYJDZMOJJC-HQMMCQRPSA-N # Inchi key of isotopologue 27Al-37Cl # Iso-slug (27Al)(37Cl) # IsoFormula YNAT # Isotopologue dataset name 20221231 # Version number with format YYYYMMDD 0 # Number of molecule names listed AlF # Molecule chemical formula 1 # Number of isotopologues considered APURLPHDHPNUFL-UHFFFAOYSA-M # Inchi key of isotopologue 27Al-19F # Iso-slug (27Al)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD 0 # Number of molecule names listed CaF # Molecule chemical formula 6 # Number of isotopologues considered PMJVACMPRFHIPZ-UHFFFAOYSA-M # Inchi key of isotopologue 40Ca-19F # Iso-slug (40Ca)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD GLWLHVXSYOTACU-NJFSPNSNSA-M # Inchi key of isotopologue 42Ca-19F # Iso-slug (42Ca)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD GLWLHVXSYOTACU-AKLPVKDBSA-M # Inchi key of isotopologue 43Ca-19F # Iso-slug (43Ca)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD GLWLHVXSYOTACU-RNFDNDRNSA-M # Inchi key of isotopologue 44Ca-19F # Iso-slug (44Ca)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD GLWLHVXSYOTACU-LZFNBGRKSA-M # Inchi key of isotopologue 46Ca-19F # Iso-slug (46Ca)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD GLWLHVXSYOTACU-CONNIKPHSA-M # Inchi key of isotopologue 48Ca-19F # Iso-slug (48Ca)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180713 # Version number with format YYYYMMDD 0 # Number of molecule names listed MgF # Molecule chemical formula 3 # Number of isotopologues considered WSXHQDSJUJYQDO-UHFFFAOYSA-M # Inchi key of isotopologue 24Mg-19F # Iso-slug (24Mg)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180716 # Version number with format YYYYMMDD DEKCOOIJMHCCME-IEOVAKBOSA-M # Inchi key of isotopologue 25Mg-19F # Iso-slug (25Mg)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180716 # Version number with format YYYYMMDD DEKCOOIJMHCCME-NLQOEHMXSA-M # Inchi key of isotopologue 26Mg-19F # Iso-slug (26Mg)(19F) # IsoFormula MoLLIST # Isotopologue dataset name 20180716 # Version number with format YYYYMMDD 0 # Number of molecule names listed OH+ # Molecule chemical formula 1 # Number of isotopologues considered XLYOFNOQVPJJNP-UHFFFAOYSA-X # Inchi key of isotopologue 16O-1H_p # Iso-slug (16O)(1H)+ # IsoFormula MoLLIST # Isotopologue dataset name 20180719 # Version number with format YYYYMMDD 0 # Number of molecule names listed AsH3 # Molecule chemical formula 1 # Number of isotopologues considered RBFQJDQYXXHULB-UHFFFAOYSA-N # Inchi key of isotopologue 75As-1H3 # Iso-slug (75As)(1H)3 # IsoFormula CYT18 # Isotopologue dataset name 20181113 # Version number with format YYYYMMDD 0 # Number of molecule names listed PF3 # Molecule chemical formula 1 # Number of isotopologues considered WKFBZNUBXWCCHG-UHFFFAOYSA-N # Inchi key of isotopologue 31P-19F3 # Iso-slug (31P)(19F)3 # IsoFormula MCYTY # Isotopologue dataset name 20190314 # Version number with format YYYYMMDD 0 # Number of molecule names listed PH # Molecule chemical formula 1 # Number of isotopologues considered BHEPBYXIRTUNPN-UHFFFAOYSA-N # Inchi key of isotopologue 31P-1H # Iso-slug (31P)(1H) # IsoFormula LaTY # Isotopologue dataset name 20190427 # Version number with format YYYYMMDD 0 # Number of molecule names listed CH3 # Molecule chemical formula 1 # Number of isotopologues considered WCYWZMWISLQXQU-UHFFFAOYSA-N # Inchi key of isotopologue 12C-1H3 # Iso-slug (12C)(1H)3 # IsoFormula AYYJ # Isotopologue dataset name 20190501 # Version number with format YYYYMMDD 0 # Number of molecule names listed SiH2 # Molecule chemical formula 1 # Number of isotopologues considered XMIJDTGORVPYLW-UHFFFAOYSA-N # Inchi key of isotopologue 28Si-1H2 # Iso-slug (28Si)(1H)2 # IsoFormula CATS # Isotopologue dataset name 20200201 # Version number with format YYYYMMDD 6 # Number of molecule names listed dioxosilane # Name of the molecule quartz # Name of the molecule silica, vitreous # Name of the molecule silicon oxide # Name of the molecule cristobalite # Name of the molecule silicon dioxide gel # Name of the molecule SiO2 # Molecule chemical formula 1 # Number of isotopologues considered VYPSYNLAJGMNEJ-UHFFFAOYSA-N # Inchi key of isotopologue 28Si-16O2 # Iso-slug (28Si)(16O)2 # IsoFormula OYT3 # Isotopologue dataset name 20200201 # Version number with format YYYYMMDD 1 # Number of molecule names listed cis-diphosphene # Name of the molecule cis-P2H2 # Molecule chemical formula 1 # Number of isotopologues considered SWJAOBXRZSMKNS-UHFFFAOXXX-N # Inchi key of isotopologue cis-31P2-1H2 # Iso-slug cis-(31P)2(1H)2 # IsoFormula OY-Cis # Isotopologue dataset name 20190401 # Version number with format YYYYMMDD 1 # Number of molecule names listed trans-diphosphene # Name of the molecule trans-P2H2 # Molecule chemical formula 2 # Number of isotopologues considered SWJAOBXRZSMKNS-UHFFFAOZZZ-X # Inchi key of isotopologue trans-31P2-1H-2H # Iso-slug trans-(31P)2(1H)(2H) # IsoFormula OY-Trans # Isotopologue dataset name 20190401 # Version number with format YYYYMMDD SWJAOBXRZSMKNS-UHFFFAOYYY-N # Inchi key of isotopologue trans-31P2-1H2 # Iso-slug trans-(31P)2(1H)2 # IsoFormula OY-Trans # Isotopologue dataset name 20190401 # Version number with format YYYYMMDD 1 # Number of molecule names listed hydronium # Name of the molecule H3O+ # Molecule chemical formula 1 # Number of isotopologues considered XLYOFNOQVPJJNP-UHFFFAOYSA-O # Inchi key of isotopologue 1H3-16O_p # Iso-slug (1H)3(16O)+ # IsoFormula eXeL # Isotopologue dataset name 20200707 # Version number with format YYYYMMDD 1 # Number of molecule names listed potassium hydroxide # Name of the molecule KOH # Molecule chemical formula 1 # Number of isotopologues considered KWYUFKZDYYNOTN-UHFFFAOYSA-M # Inchi key of isotopologue 39K-16O-1H # Iso-slug (39K)(16O)(1H) # IsoFormula OYT4 # Isotopologue dataset name 20201201 # Version number with format YYYYMMDD 1 # Number of molecule names listed sodium hydroxide # Name of the molecule NaOH # Molecule chemical formula 1 # Number of isotopologues considered HEMHJVSKTPXQMS-UHFFFAOYSA-M # Inchi key of isotopologue 23Na-16O-1H # Iso-slug (23Na)(16O)(1H) # IsoFormula OYT5 # Isotopologue dataset name 20201201 # Version number with format YYYYMMDD 1 # Number of molecule names listed sodium oxide # Name of the molecule NaO # Molecule chemical formula 1 # Number of isotopologues considered IVAOQJNBYYIDSI-UHFFFAOYSA-N # Inchi key of isotopologue 23Na-16O # Iso-slug (23Na)(16O) # IsoFormula NaOUCMe # Isotopologue dataset name 20211117 # Version number with format YYYYMMDD 1 # Number of molecule names listed silicon nitride # Name of the molecule SiN # Molecule chemical formula 4 # Number of isotopologues considered NCLWWTWAYQTPBU-UHFFFAOYSA-N # Inchi key of isotopologue 28Si-14N # Iso-slug (28Si)(14N) # IsoFormula SiNfull # Isotopologue dataset name 20220809 # Version number with format YYYYMMDD NCLWWTWAYQTPBU-OUBTZVSYSA-N # Inchi key of isotopologue 28Si-15N # Iso-slug (28Si)(15N) # IsoFormula SiNfull # Isotopologue dataset name 20220809 # Version number with format YYYYMMDD NCLWWTWAYQTPBU-VQEHIDDOSA-N # Inchi key of isotopologue 29Si-14N # Iso-slug (29Si)(14N) # IsoFormula SiNfull # Isotopologue dataset name 20220809 # Version number with format YYYYMMDD NCLWWTWAYQTPBU-HQMMCQRPSA-N # Inchi key of isotopologue 30Si-14N # Iso-slug (30Si)(14N) # IsoFormula SiNfull # Isotopologue dataset name 20220809 # Version number with format YYYYMMDD 1 # Number of molecule names listed calcium monohydroxide # Name of the molecule CaOH # Molecule chemical formula 1 # Number of isotopologues considered KIZFHUJKFSNWKO-UHFFFAOYSA-M # Inchi key of isotopologue 40Ca-16O-1H # Iso-slug (40Ca)(16O)(1H) # IsoFormula OYT6 # Isotopologue dataset name 20220903 # Version number with format YYYYMMDD 1 # Number of molecule names listed lanthanum monoxide # Name of the molecule LaO # Molecule chemical formula 1 # Number of isotopologues considered KCPAGCNHGFPBFR-UHFFFAOYSA-N # Inchi key of isotopologue 139La-16O # Iso-slug (139La)(16O) # IsoFormula BDL # Isotopologue dataset name 20220912 # Version number with format YYYYMMDD 1 # Number of molecule names listed Thioformaldehyde # Name of the molecule H2CS # Molecule chemical formula 1 # Number of isotopologues considered DBTDEFJAFBUGPP-UHFFFAOYSA-N # Inchi key of isotopologue 1H2-12C-32S # Iso-slug (1H)2(12C)(32S) # IsoFormula MOTY # Isotopologue dataset name 20221231 # Version number with format YYYYMMDD 1 # Number of molecule names listed Lithium hydroxide # Name of the molecule LiOH # Molecule chemical formula 1 # Number of isotopologues considered WMFOQBRAJBCJND-UHFFFAOYSA-M # Inchi key of isotopologue 7Li-16O-1H # Iso-slug (7Li)(16O)(1H) # IsoFormula OYT7 # Isotopologue dataset name 20230529 # Version number with format YYYYMMDD 1 # Number of molecule names listed Zirconium oxide # Name of the molecule ZrO # Molecule chemical formula 7 # Number of isotopologues considered GEIAQOFPUVMAGM-UHFFFAOYSA-N # Inchi key of isotopologue 90Zr-16O # Iso-slug (90Zr)(16O) # IsoFormula SB # Isotopologue dataset name 20230105 # Version number with format YYYYMMDD GEIAQOFPUVMAGM-UHFFFAOYSA-N # Inchi key of isotopologue 90Zr-16O # Iso-slug (90Zr)(16O) # IsoFormula ZorrO # Isotopologue dataset name 20230713 # Version number with format YYYYMMDD GEIAQOFPUVMAGM-MHGBRSHDSA-N # Inchi key of isotopologue 91Zr-16O # Iso-slug (91Zr)(16O) # IsoFormula ZorrO # Isotopologue dataset name 20230713 # Version number with format YYYYMMDD GEIAQOFPUVMAGM-LFSUVYIMSA-N # Inchi key of isotopologue 92Zr-16O # Iso-slug (92Zr)(16O) # IsoFormula ZorrO # Isotopologue dataset name 20230713 # Version number with format YYYYMMDD GEIAQOFPUVMAGM-WMSMEIEASA-N # Inchi key of isotopologue 93Zr-16O # Iso-slug (93Zr)(16O) # IsoFormula ZorrO # Isotopologue dataset name 20230713 # Version number with format YYYYMMDD GEIAQOFPUVMAGM-ULBMIEEJSA-N # Inchi key of isotopologue 94Zr-16O # Iso-slug (94Zr)(16O) # IsoFormula ZorrO # Isotopologue dataset name 20230713 # Version number with format YYYYMMDD GEIAQOFPUVMAGM-WNVRODMJSA-N # Inchi key of isotopologue 96Zr-16O # Iso-slug (96Zr)(16O) # IsoFormula ZorrO # Isotopologue dataset name 20230713 # Version number with format YYYYMMDD Carbonyl sulfide # Name of the molecule OCS # Molecule chemical formula 1 # Number of isotopologues considered JJWKPURADFRFRB-UHFFFAOYSA-N # Inchi key of isotopologue 16O-12C-32S # Iso-slug (16O)(12C)(32S) # IsoFormula OYT8 # Isotopologue dataset name 20240425 # Version number with format YYYYMMDD Hydroboron monoxide # Name of the molecule HBO # Molecule chemical formula 2 # Number of isotopologues considered UXUFOKFTFHRQTE-UHFFFAOYSA-N # Inchi key of isotopologue 1H-11B-16O # Iso-slug (1H)(11B)(16O) # IsoFormula LQL # Isotopologue dataset name 20240522 # Version number with format YYYYMMDD UXUFOKFTFHRQTE-BJUDXGSMSA-N # Inchi key of isotopologue 1H-10B-16O # Iso-slug (1H)(10B)(16O) # IsoFormula LQL # Isotopologue dataset name 20240522 # Version number with format YYYYMMDD Nitrous oxide # Name of the molecule N2O # Molecule chemical formula 5 # Number of isotopologues considered GQPLMRYTRLFLPF-UHFFFAOYSA-N # Inchi key of isotopologue 14N2-16O # Iso-slug (14N)2(16O) # IsoFormula TYM # Isotopologue dataset name 20240527 # Version number with format YYYYMMDD # Inchi key of isotopologue 15N2-16O # Iso-slug (15N)2(16O) # IsoFormula TYM # Isotopologue dataset name 20240527 # Version number with format YYYYMMDD # Inchi key of isotopologue 14N2-17O # Iso-slug (14N)2(17O) # IsoFormula TYM # Isotopologue dataset name 20240527 # Version number with format YYYYMMDD # Inchi key of isotopologue 14N2-18O # Iso-slug (14N)2(18O) # IsoFormula TYM # Isotopologue dataset name 20240527 # Version number with format YYYYMMDD # Inchi key of isotopologue 14N-15N-16O # Iso-slug (14N)(15N)(16O) # IsoFormula TYM # Isotopologue dataset name 20240527 # Version number with format YYYYMMDD Tricarbon # Name of the molecule C3 # Molecule chemical formula 3 # Number of isotopologues considered NVLRFXKSQQPKAD-UHFFFAOYSA-N # Inchi key of isotopologue 12C3 # Iso-slug (12C)3 # IsoFormula AtLast # Isotopologue dataset name 2024xxxx # Version number with format YYYYMMDD # Inchi key of isotopologue 12C-13C-12C # Iso-slug (12C)(13C)(12C) # IsoFormula AtLast # Isotopologue dataset name 2024xxxx # Version number with format YYYYMMDD # Inchi key of isotopologue 12C-12C-13C # Iso-slug (12C)(12C)(13C) # IsoFormula AtLast # Isotopologue dataset name 2024xxxx # Version number with format YYYYMMDD