Acetic acid acetic acid C2H4O2 C 1s ai-0cckk.os RI&88
Acetic acid acetic acid C2H4O2 O 1s ai-0ookk.os RI&88
Acetic Anhydride acetic anhydride C4H6O3 C1s ko-0cckk.os LCH03
Acetic Anhydride acetic anhydride C4H6O3 O1s ko-0ookk.os LCH03
Acetone acetone C3H6O 01s at-0ookk.os RI&88
Acetone acetone C3H6O C1s at-0cckk.os RI&88
Acetone acetone C3H6O C1s at-1cckk.os HH13
Acetone acetone C3H6O O1s at-1ookk.os HH13
Acetonitrile acetonitrile C2H3N C 1s an-0cckk.os HTM89
Acetonitrile acetonitrile C2H3N N 1s an-0nnkk.os HTM89
AcetylAcetone acetylacetone C5H8O2 C1s kp-0cckk.os LCH03
AcetylAcetone acetylacetone C5H8O2 O1s kp-0ookk.os LCH03
Acetylene acetylene C2H2 C 1s ae-0cckk.os HB77
Acrylic acid acrylic acid C3H4O2 C 1s ac-0cckk.os IH88
Acrylic acid acrylic acid C3H4O2 O 1s ac-0ookk.os IH88
Adamantine adamantine C10H16 C 1s am-0cckk.os HI88a
Air (background) air (background N2 N 1s ab-0nnkk.os UP
Air (background) air (background N2 N 1s, O 1s ab-0nokk.os UP
Air (background) air (background O2 O 1s ab-0ookk.os UP
alanine alanine CH7NO2 01s ah-0ookk.os GH01
alanine alanine CH7NO2 C1s ah-0cckk.os GH01
alanine alanine CH7NO2 C1s ah-1cckk.os CG04
alanine alanine CH7NO2 N1s ah-0nnkk.os GH01
Allylic alcohol allylic alcohol C3H6O C 1s al-0cckk.os IH88
Allylic alcohol allylic alcohol C3H6O O 1s al-0ookk.os IH88
Aniline aniline C6H7N C 1s ay-0cckk.os TUH96
Aniline aniline C6H7N N 1s ay-0nnkk.os TUH96
anisole anisole C7H8O C 1s vl-0cckk.os UH97
anisole anisole C7H8O O 1s vl-0ookk.os UH97
Anthracene anthracene C14H10 C1s kt-0cckk.os GT&03
1-azido adamantane azido adamantane C9H15N3 C 1s uu-0cckk.os
1-azido adamantane azido adamantane C9H15N3 N 1s uu-0nnkk.os
azido trimethylsilane azido trimethylsilane C3H9N3Si C 1s uw-0cckk.os UP
azido trimethylsilane azido trimethylsilane C3H9N3Si N 1s uw-0nnkk.os UP
Azulene azulene C10H8 C 1s az-0cckk.os HT&89
Benzaldehyde benzaldehyde C7H6O C 1s bn-0cckk.os HU&92
Benzaldehyde benzaldehyde C7H6O O 1s bn-0ookk.os HU&92
1,2-Benzanthracene benzanthracene C18H12 C1s kx-0cckk.os GT&03
Benzene benzene C6H6 C 1s bz-0cckk.os HF&87
Benzenechromium tricarbonyl benzenechromium tricarbonyl C9CrH6O3 C 1s ca-0cckk.os WHR92
Benzenechromium tricarbonyl benzenechromium tricarbonyl C9CrH6O3 O 1s ca-0ookk.os WHR92
Benzoic Anhydride benzoic anhydride C14H10O3 C 1s vk-0cckk.os LUH97
Benzonitrile benzonitrile C7H5N C 1s bq-0cckk.os H92a
Benzonitrile benzonitrile C7H5N N 1s bq-0nnkk.os H92a
Benzophenone benzophenone C13H10O C1s ph-1cckk.os HH13
Benzophenone benzophenone C13H10O O1s ph-1ookk.os HH13
Benzoquinone, 1,4- benzoquinone C6H4O2 C 1s qb-0cckk.os FH92
Benzoquinone, 1,4- benzoquinone C6H4O2 O 1s qb-0ookk.os FH92
1,3,5,2,4-benzotrithiadiazepine benzotrithiadiazepine C6H4N2S3 C 1s bv-0cckk.os HD&91
1,3,5,2,4-benzotrithiadiazepine benzotrithiadiazepine C6H4N2S3 N 1s bv-0nnkk.os HD&91
1,3,5,2,4-benzotrithiadiazepine benzotrithiadiazepine C6H4N2S3 S 2p,2s bv-0sskk.os HD&91
2,1,3-benzotrithiadiazole benzotrithiadiazole C6H4N2S C 1s bw-0cckk.os HD&91
2,1,3-benzotrithiadiazole benzotrithiadiazole C6H4N2S N 1s bw-0nnkk.os HD&91
2,1,3-benzotrithiadiazole benzotrithiadiazole C6H4N2S S 2p,2s bw-0sskk.os HD&91
benzyl carbamate benzyl carbamate C8H9NO C 1s im-0cckk.os UH&95b
benzyl carbamate benzyl carbamate C8H9NO N 1s im-0nnkk.os UH&95b
benzyl carbamate benzyl carbamate C8H9NO O 1s im-0ookk.os UH&95b
Bis(1,2-dicarbollyl)nickel(IV) bis(1,2-dicarbollyl)nickel(iv B18C4H22Ni B 1s nd-0bbkk.os HLD91
Bis(1,2-dicarbollyl)nickel(IV) bis(1,2-dicarbollyl)nickel(iv B18C4H22Ni C 1s nd-0cckk.os HLD91
Bis(cyclopentadienyl)manganese bis(cyclopentadienyl)manganese C10H10Mn C 1s mx-0cckk.os HWR89
Bis(cyclopentyl)magnesium bis(cyclopentyl)magnesium C10H10Mg C 1s mp-0cckk.os WRH89
bis(dimethylamino)dimethylsilane bis(dimethylamino)dimethylsilane C6H16N2Si C 1s uj-0cckk.os UH+94b
bis(dimethylamino)dimethylsilane bis(dimethylamino)dimethylsilane C6H16N2Si N 1s uj-0nnkk.os UH+94b
bis(dimethylamino)dimethylsilane bis(dimethylamino)dimethylsilane C6H16N2Si Si 2p uj-0sill.os UH+94b
Bis(t-Butyl)peroxide bis(t-butyl)peroxide C8H18O2 C 1s bp-0cckk.os MI&87
Bis(t-Butyl)peroxide bis(t-butyl)peroxide C8H18O2 O 1s bp-0ookk.os MI&87
Bis(trifluoromethyl) peroxide bis(trifluoromethyl) peroxide C2F6O2 C 1s px-0cckk.os MI&87
Bis(trifluoromethyl) peroxide bis(trifluoromethyl) peroxide C2F6O2 F 1s px-0ffkk.os MI&87
Bis(trifluoromethyl) peroxide bis(trifluoromethyl) peroxide C2F6O2 O 1s px-0ookk.os MI&87
bis-benzenechromium bis-benzenechromium C12CrH12 C 1s cz-0cckk.os WHR92
Biuret biuret C2H5N3O2 C 1s bu-0cckk.os LCH03
Biuret biuret C2H5N3O2 N 1s bu-0nnkk.os LCH03
Borazine borazine B3H6N3 B 1s bo-0bbkk.os DG&86
Borazine borazine B3H6N3 N 1s bo-0nnkk.os DG&86
Boron boron B B 1s aaa-bbkk.os SF
borontrifluoride borontrifluoride BF3 B 1s bf-0bbkk.os EA&91
borontrifluoride borontrifluoride BF3 F 1s bf-0ffkk.os EA&91
3-Bu-thiophene bu-thiophene C8H13S C 1s sb-0cckk.os HT&90
3-Bu-thiophene bu-thiophene C8H13S S 2p sb-0ssl3.os HT&90
Butadiene butadiene C4H8 C 1s bt-0cckk.os MC&87
butadiene-iron-tricarbonyl butadiene-iron-tricarbonyl C7FeH6O3 C 1s fs-0cckk.os WRH92
butadiene-iron-tricarbonyl butadiene-iron-tricarbonyl C7FeH6O3 Fe 2p fs-0fell.os WRH92
butadiene-iron-tricarbonyl butadiene-iron-tricarbonyl C7FeH6O3 O 1s fs-0ookk.os WRH92
n-Butane butane C4H10 C 1s ba-0cckk.os HI&87
Butyl acrylate butyl acrylate C7H12O2 C 1s be-0cckk.os LUH97
Butyl acrylate butyl acrylate C7H12O2 O 1s be-0ookk.os LUH97
t-Butyl alcohol butyl alcohol C4H10O C 1s tl-0cckk.os MI&87
t-Butyl alcohol butyl alcohol C4H10O O 1s tl-0ookk.os MI&87
t-butyl-ferrocene butyl-ferrocene C14FeH18 C 1s dc-0cckk.os WRH92
t-butyl-ferrocene butyl-ferrocene C14FeH18 Fe 2p dc-0fel3.os WRH92
butylated-hydroxytoluene butylated-hydroxytoluene C15H24O C 1s vt-0cckk.os LUH97
butylated-hydroxytoluene butylated-hydroxytoluene C15H24O O 1s vt-0ookk.os LUH97
2-Butyne butyne C4H6 C 1s by-0cckk.os RI&88