National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
XXIOddities

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III.F.1. (I.A.4.)

List of which calculations are completed at CCSD(T) /cc-pVTZ-PP

Jump to calculations not yet done
count Species Name State Conformation
1 Ga- Gallium atom anion 3POh
2 Ga+ Gallium atom cation 1S 
3 GaH Gallium monohydride 1ΣC∞v
4 GaH+ Gallium monohydride cation 2ΣC∞v
5 Ge Germanium atom 3PKh
6 Ge- Germanium anion 4SKh
7 Ge+ Germanium cation 2PKh
8 Sn Tin atom   
9 Sn+ Tin cation   
10 GeH germylidene 2ΠC∞v
11 GeH3+ germyl cation 1A1'D3h
12 SnH4 Stannane   
13 As Arsenic atomic 4SKh
14 Sb Antimony atom   
15 AsH Arsenic monohydride 3ΣC∞v
16 SbH Antimony monohydride   
17 AsH3 Arsine 1A1C3v
18 AsH3+ Arsine cation 2A1C3v
19 SbH3 Stibine   
20 AsH4+ Arsonium   
21 Se Selenium atom 3PKh
22 Se- Selenium atom anion 2PKh
23 Se+ Selenium atom cation 4SKh
24 Te Tellurium atom   
25 Te+ Tellurium atom cation   
26 HSe Selenium monohydride 2ΠC∞v
27 HSe- selenium monohydride anion 1ΣC∞v
28 HSe+ selenium monohydride cation 3ΣC∞v
29 TeH Telluryl radical   
30 H2Se Hydrogen selenide 1A1C2v
31 H2Se+ Hydrogen selenide cation 2B1C2v
32 H2Te Hydrogen Telluride   
33 H3Se+ Hydrogen Selenide, protonated 1A1C3v
34 Br Bromine atom 2PKh
35 Br- Bromine atom anion 1SKh
36 Br+ Bromine atom cation 3PKh
37 I Iodine atom 2PKh
38 I- Iodine atom anion 1SKh
39 I+ Iodine atom cation 3PKh
40 HBr hydrogen bromide 1ΣC∞v
41 HBr- hydrogen bromide anion 2ΣC∞v
42 HBr+ hydrogen bromide cation 2ΠC∞v
43 HI Hydrogen iodide 1ΣC∞v
44 HI+ Hydrogen iodide cation   
45 H2Br+ protonated hydrogen bromide 2A1C2v
46 H2I+ Iodonium   
47 Xe Xenon atom 1SKh
48 XeH+ Xenon, protonated 1ΣC∞v
49 GeC Germanium monocarbide 1ΣC∞v
50 GaAs Gallium arsenide 3Π 
51 GaAs Gallium arsenide 1Σ 
52 LiSe Lithium monoselenide   
53 GaO Gallium monoxide 2ΣC∞v
54 CSe Carbon monoselenide 1ΣC∞v
55 GeO Germanium monoxide 1ΣC∞v
56 GeSe Germanium monoselenide   
57 SeO Selenium monoxide 3ΣC∞v
58 TeO Tellurium monoxide   
59 Se2 Selenium diatomic 3ΣgD∞h
60 Te2 Tellurium diatomic   
61 H2CSe Selenoformaldehyde   
62 H2Se2 hydrogen diselenide   
63 LiBr Lithium Bromide 1ΣC∞v
64 LiI Lithium Iodide   
65 NaI Sodium Iodide   
66 GaF Gallium monofluoride 1ΣC∞v
67 GaCl Gallium monochloride 1ΣGC∞v
68 AlI Aluminum monoiodide   
69 GaBr Gallium monobromide   
70 CBr Carbon monobromide 2ΠC∞v
71 GeF Germanium monofluoride 2ΠC∞v
72 GeCl Germanium monochloride 2ΠC∞v
73 BrO Bromine monoxide 2ΠC∞v
74 BrO+ Bromine monoxide cation   
75 SBr Sulfur monobromide radical   
76 SBr+ Sulfur monobromide cation   
77 IO Iodine monoxide   
78 SeBr Selenium monobromide   
79 BrCl Bromine monochloride 1ΣC∞v
80 BrF Bromine monofluoride 1ΣC∞v
81 IF Iodine monofluoride 1ΣC∞v
82 Br2 Bromine diatomic 1ΣgD∞h
83 Br2- bromine diatomic anion 2ΣuD∞h
84 Br2+ bromine diatomic cation 2ΠgD∞h
85 ICl Iodine monochloride 1ΣC∞v
86 IBr Iodine monobromide 1ΣC∞v
87 I2 Iodine diatomic 1ΣgD∞h
88 I2+ Iodine diatomic cation 2ΠgD∞v
89 HSiBr monobromosilylene   
90 HOI Hypoiodous acid   
91 CH2Br bromomethyl radical   
92 CH3Br methyl bromide 1A1C3v
93 GeH3Cl monochlorogermane   
94 CH3I methyl iodide 1A1C3v
95 SiH3I Silyl Iodide   
96 GeO2 Germanium dioxide 1ΣgD∞h
97 SCTe Carbon sulfide Telluride   
98 SeO2 Selenium dioxide 1A1C2v
99 TeO2 Tellurium Dioxide   
100 BrCN Cyanogen bromide 1ΣC∞v
101 ICN Cyanogen iodide 1ΣC∞v
102 BeBr2 Beryllium bromide   
103 CaBr2 Calcium dibromide   
104 GeCl2 Germanium dichloride 1A1C2v
105 BrOO Bromine dioxide   
106 SeF2 Selenium difluoride   
107 SBr2 Sulfur dibromide   
108 SeBr2 Selenium dibromide   
109 Br3- tribromide anion   
110 I3- triiodide   
111 CHBr2 dibromomethyl radical   
112 CH2BrCl Methane, bromochloro- 1A'Cs
113 CH2FI fluoroiodomethane   
114 CH2Br2 dibromomethane 1A1C2v
115 CH2ClI chloroiodomethane   
116 CH2BrI bromoiodomethane   
117 CH2I2 Diiodomethane   
118 C2H3I Vinyl iodide   
119 C2H5Br Ethyl bromide 1A'Cs
120 C2H5I Ethyl iodide   
121 XeF2 Xenon difluoride   
122 As4 Arsenic tetramer 1A1Td
123 TeO3 Tellurium trioxide   
124 GaF3 Gallium trifluoride 1A1'D3h
125 GaCl3 Gallium trichloride 1A1'D3h
126 CBr3 tribromomethyl radical   
127 SbF3 Antimony Trifluoride   
128 SbCl3 Antimony Trichloride   
129 NBr3 Nitrogen Tribromide 1A1C3v
130 NI3 Nitrogen triiodide   
131 PI3 Phosphorus triiodide   
132 IF3 iodone trifluoride   
133 CHBrF2 Methane, bromodifluoro- 1A'Cs
134 CHBrCl2 Methane, bromodichloro- 1A'Cs
135 CHF2I difluoroiodomethane   
136 CHFClI fluorochloroiodomethane   
137 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
138 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
139 CF3Br Bromotrifluoromethane 1A1C3v
140 CBr2ClF dibromochlorofluoromethane   
141 CCl3I trichloroiodomethane   
142 CFClBrI fluorochlorobromoiodomethane   
143 CF2I2 difluorodiiodomethane   
144 CBr4 Carbon tetrabromide 1A1Td
145 CCl2I2 dichlorodiiodomethane   
146 GeBr4 Germanium tetrabromide   
147 CI4 tetraiodomethane   
148 SiI4 silicon tetraiodide   
149 XeF4 Xenon tetrafluoride   
150 C2Br4 tetrabromoethene   
151 IF5 pentafluoroiodine   

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 BH Boron monohydride bh  
78 BH- boron monohydride anion bh-  
79 BH+ boron monohydride cation bh+  
80 AlH aluminum monohydride alh  
81 AlH- aluminum monohydride anion alh-  
82 AlH+ aluminum monohydride cation alh+  
83 ScH Scandium monohydride sch  
84 ScH+ Scandium monohydride cation sch+  
85 BH2 boron dihydride bh2  
86 BH2- boron dihydride anion bh2-  
87 BH2+ Boron dihydride cation bh2+  
88 AlH2 aluminum dihydride alh2  
89 AlH2- aluminum dihydride anion alh2-  
90 AlH2+ aluminum dihydride cation alh2+  
91 BH3 boron trihydride bh3  
92 BH3- boron trihydride anion bh3-  
93 BH3+ boron trihydride cation bh3+  
94 AlH3 aluminum trihydride alh3  
95 AlH3- aluminum trihydride anion alh3-  
96 AlH3+ aluminum trihydride cation alh3+  
97 ScH3 Scandium trihydride sch3  
98 GaH3 Gallium trihydride gah3  
99 BH4 borohydride bh4  
100 BH4- borohydride anion bh4-  
101 AlH4- Aluminum tetrahydride anion alh4-  
102 C Carbon atom c  
103 C- Carbon atom anion c-  
104 C+ Carbon atom cation c+  
105 Si Silicon atom si  
106 Si- Silicon atom anion si-  
107 Si+ Silicon atom cation si+  
108 Ti Titanium atom ti  
109 Ti- Titanium atom anion ti-  
110 Ti+ Titanium atom cation ti+  
111 CH Methylidyne ch  
112 CH- methylidyne anion ch-  
113 CH+ Methylidyne cation ch+  
114 SiH Silylidyne sih  
115 SiH- silicon monohydride anion sih-  
116 SiH+ silicon monohydride cation sih+  
117 GeH+ Germaniun monohyrdide cation geh+  
118 CH2 Methylene ch2  
119 CH2- methylene anion ch2-  
120 CH2+ methylene cation ch2+  
121 SiH2 silicon dihydride sih2  
122 SiH2- silicon dihydride anion sih2-  
123 SiH2+ silicon dihydride cation sih2+  
124 GeH2 germylene geh2  
125 GeH2- germylene anion geh2-  
126 CH3 Methyl radical ch3  
127 CH3- methyl anion ch3-  
128 CH3+ methyl cation ch3+  
129 SiH3 Silyl radical sih3  
130 SiH3- Silyl anion sih3-  
131 SiH3+ Silyl cation sih3+  
132 GeH3 Germyl radical geh3  
133 CD4 methane-d4 cd4  
134 CH2D2 methane-d2 ch2d2  
135 CH3D methane-d ch3d  
136 CH4 Methane ch4  
137 CH4- Methane anion ch4-  
138 CH4+ Methane cation ch4+  
139 CHD3 methane-d3 chd3  
140 SiH2D2 silane-d2 sih2d2  
141 SiH4 Silane sih4  
142 SiH4+ Silane cation sih4+  
143 GeH4 Germane geh4  
144 SiH5+ Silane, protonated sih5+  
145 N Nitrogen atom n  
146 N- Nitrogen atom anion n-  
147 N+ Nitrogen atom cation n+  
148 P Phosphorus atom p  
149 P- Phosphorus atom anion p-  
150 P+ Phosphorus atom cation p+  
151 V Vanadium atom v  
152 V+ Vanadium atom cation v+  
153 As- Arsenic anion as-  
154 As+ Arsenic cation as+  
155 NH Imidogen nh  
156 NH- Imidogen anion nh-  
157 NH+ imidogen cation nh+  
158 PH phosphorus monohydride ph  
159 PH- phosphorus monohydride anion ph-  
160 PH+ phosphorus monohydride cation ph+  
161 AsH+ Arsenic monohydride cation ash+  
162 ND2 Amidogen-d2 nd2  
163 NH2 Amino radical nh2  
164 NH2- amino anion nh2-  
165 NH2+ Amino cation nh2+  
166 PH2 Phosphino radical ph2  
167 PH2- Phosphino anion ph2-  
168 PH2+ Phosphino cation ph2+  
169 AsH2 Arsenic dihydride ash2  
170 AsH2+ Arsenic dihydride cation ash2+  
171 ND3 Ammonia-d3 nd3  
172 NH3 Ammonia nh3  
173 NH3- Ammonia anion nh3-  
174 NH3+ ammonia cation nh3+  
175 PH3 Phosphine ph3  
176 PH3+ Phosphine cation ph3+  
177 NH4 Ammonium radical nh4  
178 NH4+ ammonium cation nh4+  
179 PH4 Phosphoranyl radical ph4  
180 PH4+ phosphonium cation ph4+  
181 O Oxygen atom o  
182 O- Oxygen atom anion o-  
183 O+ Oxygen atom cation o+  
184 S Sulfur atom s  
185 S- Sulfur atom anion s-  
186 S+ Sulfur atom cation s+  
187 Cr Chromium atom cr  
188 DO Hydroxyl-d od  
189 OH Hydroxyl radical oh  
190 OH- hydroxide anion oh-  
191 OH+ hydoxyl cation oh+  
192 DS Mercapto-d ds  
193 HS Mercapto radical hs  
194 HS- mercapto anion sh-  
195 HS+ sulfur monohydride cation sh+  
196 CrH Chromium hydride crh  
197 CrH+ Chromium hydride cation crh+  
198 D2O Deuterium oxide d2o  
199 H2O Water h2o  
200 H2O- water anion h2o-  
201 H2O+ water cation h2o+  
202 HDO Water-d1 hdo  
203 D2S Hydrogen sulfide-d2 d2s  
204 H2S Hydrogen sulfide h2s  
205 H2S- Hydrogen sulfide anion h2s-  
206 H2S+ Hydrogen sulfide cation h2s+  
207 H3O+ hydronium cation h3o+  
208 H3S+ Sulfonium cation h3s+  
209 F Fluorine atom f  
210 F- Fluorine atom anion f-  
211 F+ Fluorine atom cation f+  
212 Cl Chlorine atom cl  
213 Cl- Chlorine atom anion cl-  
214 Cl+ Chlorine atom cation cl+  
215 Mn Manganese atom mn  
216 DF Hydrofluoric acid-d df  
217 HF Hydrogen fluoride hf  
218 HF- hydrogen fluoride anion hf-  
219 HF+ hydrogen fluoride cation hf+  
220 DCl Hydrochloric acid-d dcl  
221 HCl Hydrogen chloride hcl  
222 HCl- hydrogen chloride anion hcl-  
223 HCl+ hydrogen chloride cation hcl+  
224 H2F+ dihydrogen fluoride cation h2f+  
225 H2Cl+ dihydrogen monochloride cation h2cl+  
226 Ne Neon atom ne  
227 Ne- Neon atom anion ne-  
228 Ne+ Neon atom cation ne+  
229 Ar Argon atom ar  
230 Ar- Argon atom anion ar-  
231 Ar+ Argon atom cation ar+  
232 Fe Iron atom fe  
233 Kr Krypton atom kr  
234 Kr+ Krypton cation kr+  
235 HeLi+ Helium Lithium cation heli+  
236 NeH neon hydrogen neh  
237 NeH+ neon hydrogen cation neh+  
238 ArH+ Argon hydride cation arh+  
239 KrH+ Protonated Krypton krh+  
240 H2Ar H2 Ar dimer h2ar  
241 Co Cobalt atom cobalt  
242 Ni Nickel atom ni  
243 Li2 Lithium diatomic li2  
244 Li2- lithium diatomic anion li2-  
245 Li2+ lithium diatomic cation li2+  
246 NaLi lithium sodium lina  
247 NaLi- lithium sodium anion lina-  
248 NaLi+ lithium sodium cation lina+  
249 LiK Lithium Potassium lik  
250 Na2 Sodium diatomic na2  
251 Na2- sodium diatomic anion na2-  
252 Na2+ sodium diatomic cation na2+  
253 NaK Sodium Potassium nak  
254 NaK+ Sodium Potassium diatomic cation nak+  
255 K2 Potassium diatomic k2  
256 Cu2 Copper diatomic cu2  
257 LiBe Lithium Beryllium libe  
258 LiMg Lithium magnesium limg  
259 NaBe Sodium Beryllium nabe  
260 NaMg Sodium Magnesium namg  
261 Be2 Beryllium diatomic be2  
262 Be2- Beryllium diatomic anion be2-  
263 Be2+ Beryllium diatomic cation be2+  
264 BeMg Beryllium Magnesium bemg  
265 Mg2 Magnesium diatomic mg2  
266 Mg2- magnesium diatomic anion mg2-  
267 Mg2+ magnesium diatomic cation mg2+  
268 Ca2 Calcium diatomic ca2  
269 LiB Lithium boride lib  
270 LiAl Lithium Aluminum lial  
271 NaAl Sodium aluminum naal  
272 BeB Beryllium monoboride beb  
273 B2 Boron diatomic b2  
274 B2- Boron diatomic anion b2-  
275 B2+ Boron diatomic cation b2+  
276 BAl Boron Aluminum bal  
277 Al2 Aluminum diatomic al2  
278 Al2- aluminum diatomic anion al2-  
279 Al2+ aluminum diatomic cation al2+  
280 BGa Boron Gallium bga  
281 AlGa Aluminum Gallium alga  
282 Ga2 Gallium diatomic ga2  
283 HBBH Diborane(2) hbbh  
284 LiBH4 Lithium borohydride libh4  
285 B2H4 Diborane(4) D2d b2h4  
286 HBHHBH Diborane(4) C2V hbhhbh  
287 B2H6 Diborane b2h6  
288 B2H6+ Diborane cation b2h6  
289 Al2H6 dialane al2h6  
290 Ga2H6 digallane ga2h6  
291 LiC Lithium Carbide lic  
292 BeC Beryllium Carbide bec  
293 CaC Calcium monocarbide cac  
294 BC boron monocarbide bc  
295 BC- boron monocarbide anion bc-  
296 BC+ boron monocarbide cation bc+  
297 AlC Aluminum carbide alc  
298 BSi Boron silicide bsi  
299 C2 Carbon diatomic c2  
300 C2- carbon diatomic anion c2-  
301 C2+ carbon diatomic cation c2+  
302 SiC silicon monocarbide sic  
303 SiC- silicon monocarbide anion sic-  
304 SiC+ silicon monocarbide cation sic+  
305 Si2 Silicon diatomic si2  
306 Si2- silcon diatomic anion si2-  
307 Si2+ silcon diatomic cation si2+  
308 SiGe Silicon Germanium sige  
309 Ge2 Germanium diatomic ge2  
310 C2H Ethynyl radical c2h  
311 C2H- Ethynyl anion c2h-  
312 C2H+ Ethynyl cation c2h+  
313 ZnCH2 Zinc methylene znch2  
314 C2H2 Acetylene c2h2  
315 C2H2+ acetylene cation c2h2+  
316 CCH2 vinylidene vinylidene  
317 H2CC- vinylidene anion h2cc-  
318 HCCH- acetylene anion c2h2-  
319 Si2H2 disilyne si2h2  
320 CH3Li methyl lithium ch3li  
321 CuCH3 monomethyl copper cuch3  
322 ZnCH3 Zinc monomethyl znch3  
323 CH2BH methyleneborane ch2bh  
324 C2H3 vinyl c2h3  
325 C2H3- vinyl anion c2h3-  
326 C2H3+ vinyl cation c2h3+  
327 C2H4 Ethylene c2h4  
328 C2H4- Ethylene anion c2h4-  
329 C2H4+ Ethylene cation c2h4+  
330 CH3CH methylmethylene ch3ch  
331 CH2SiH2 silaethylene ch2sih2  
332 Si2H4 Disilene si2h4  
333 CH3BH2 methylborane ch3bh2  
334 C2H5 Ethyl radical c2h5  
335 C2H5- Ethyl anion c2h5-  
336 C2H5+ Ethyl cation c2h5+  
337 C2H6 Ethane c2h6  
338 C2H6+ ethane cation c2h6+  
339 CH3SiH3 methyl silane ch3sih3  
340 Si2H6 disilane si2h6  
341 GeH3CH3 methyl germane geh3ch3  
342 C2H7+ Ethane, protonated c2h7+  
343 LiN Lithium Nitride lin  
344 LiN+ Lithium Nitride cation lin+  
345 LiP Lithium monophosphide lip  
346 BeN Beryllium mononitride ben  
347 BeN- Beryllium mononitride anion ben-  
348 BeN+ Beryllium mononitride cation ben+  
349 MgN Magnesium Nitride mgn  
350 BN- boron nitride anion bn-  
351 AlN- aluminum mononitride anion aln-  
352 AlN+ aluminum mononitride cation aln+  
353 BP Boron monophosphide bp  
354 AlP Aluminum monophosphide alp  
355 GaN Gallium mononitride gan  
356 GaP Gallium monophosphide gap  
357 BN boron nitride bn  
358 BN+ boron nitride cation bn+  
359 AlN Aluminum nitride aln  
360 CN Cyano radical cn  
361 CN- cyanide anion cn-  
362 CN+ Cyano cation cn+  
363 CP Carbon monophosphide cp  
364 CP- carbon monophosphide anion cp-  
365 CP+ carbon monophosphide cation cp+  
366 SiN Silicon nitride sin  
367 SiN- silicon mononitride anion sin-  
368 SiN+ silicon mononitride cation sin+  
369 SiP Silicon monophosphide sip  
370 SiP- Silicon monophosphide anion sip-  
371 SiP+ Silicon monophosphide cation sip+  
372 TiN Titanium mononitride tin  
373 N2 Nitrogen diatomic n2  
374 N2- nitrogen diatomic anion n2-  
375 N2+ diatomic nitrogen cation n2+  
376 PN Phosphorus mononitride pn  
377 PN- phosphorus nitride anion pn-  
378 PN+ phosphorus nitride cation pn+  
379 P2 Phosphorus diatomic p2  
380 P2- phosphorus diatomic anion p2-  
381 P2+ phosphorus diatomic cation p2+  
382 AsN Arsenic mononitride asn  
383 AsP Arsenic monophosphide asp  
384 SbN Antimony nitride sbn  
385 As2 Arsenic diatomic as2  
386 HNB hydrogen nitrogen boron hnb  
387 HNC hydrogen isocyanide hnc  
388 HCN Hydrogen cyanide hcn  
389 HCN- Hydrogen cyanide anion hcn-  
390 HCN+ hydrogen cyanide cation hcn+  
391 HNC+ hydrogen isocyanide cation hnc+  
392 HCP Phosphaethyne hcp  
393 HCP+ Phosphaethyne cation hcp+  
394 NNH Dinitrogen monohydride nnh  
395 NNH+ Dinitrogen monohydride cation nnh+  
396 HPO Hydrogen phosphorus oxide hpo  
397 HPO+ Hydrogen phosphorus oxide cation hpo+  
398 LiNH2 lithium amide linh2  
399 HBNH Boranimine hbnh  
400 CNH2 Aminomethylidyne radical cnh2  
401 CNH2+ N-protonated hydrogen isocyanide cnh2+  
402 H2CN Dihydrogen cyanide radical h2cn  
403 H2CN+ hydrocyanonium cation h2cn+  
404 HCNH methyleneazane hcnh  
405 HCNH+ N-protonated HCN hcnh+  
406 H2NN Isodiazene h2nn  
407 N2H2 (E)-diazene n2h2  
408 N2H2 (Z)-Diazene n2h2z  
409 N2H2+ trans-diazene cation n2h2+  
410 CH2NH Methanimine ch3n  
411 CH2NH+ Methanimine cation ch2nh+  
412 CHNH2 aminomethylene chnh2  
413 CHNH2+ Aminocarbene cation chnh2+  
414 CH2PH Phosphaethene ch3p  
415 BH2NH2 Boranamine bh2nh2  
416 CH2NH2+ methyleneamine cation ch2nh2+  
417 N2H4 Hydrazine n2h4  
418 N2H4+ hydrazine cation n2h4+  
419 P2H4 Diphosphine p2h4  
420 CH3NH2 methyl amine ch3nh2  
421 CH3NH2+ methyl amine cation ch3nh2+  
422 CH3PH2 Methyl phosphine ch3ph2  
423 SiH3NH2 Silane, amino sih3nh2  
424 N2H5+ protonated hydrazine n2h5+  
425 BH3PH3 borane phosphine bh3ph3  
426 BH3NH3 borane ammonia bh3nh3  
427 CH3NH3 methyl ammonium radical ch3nh3  
428 CH3NH3+ protonated methylamine ch3nh3+  
429 CH3PH3+ methyl phosphine, protonated ch3ph3+  
430 NH3NH3 Ammonia Dimer nh3nh3  
431 N2H7+ ammonia ammonium dimer n2h7+  
432 LiO lithium oxide lio  
433 LiO- lithium oxide anion lio-  
434 LiO+ lithium oxide cation lio+  
435 LiS Lithium monosulfide lis  
436 LiS+ Lithium sulfide cation lis+  
437 NaO sodium monoxide nao  
438 NaO- sodium oxide anion nao-  
439 NaO+ sodium oxide cation nao+  
440 KO Potassium monoxide ko  
441 KO+ Potassium monoxide cation ko+  
442 NaS Sodium sulfide nas  
443 CuO Copper Monoxide cuo  
444 BeO beryllium oxide beo  
445 BeO- Beryllium monoxide anion beo-  
446 BeO+ Beryllium monoxide cation beo+  
447 BeS beryllium sulfide bes  
448 MgO magnesium oxide mgo  
449 MgO- magnesium oxide anion mgo-  
450 MgO+ magnesium oxide cation mgo+  
451 CaO Calcium monoxide cao  
452 MgS magnesium sulfide mgs  
453 MgS- magnesium sulfide anion mgs-  
454 MgS+ magnesium sulfide cation mgs+  
455 CaS Calcium sulfide cas  
456 ZnO zinc monoxide zno  
457 ZnS Zinc sulfide zns  
458 BeS- Beryllium monosulfide anion bes-  
459 BeS+ Beryllium monosulfide cation bes+  
460 BO boron monoxide bo  
461 BO- boron monoxide anion bo-  
462 AlO Aluminum monoxide alo  
463 AlO- Aluminum monoxide anion alo-  
464 AlO+ aluminum monoxide cation alo+  
465 BS boron sulfide bs  
466 BS- boron monosulfide anion bs-  
467 BS+ boron monosulfide cation bs+  
468 AlS Aluminum sulfide als  
469 AlS- aluminum monosulfide anion als-  
470 AlS+ aluminum monosulfide cation als+  
471 ScO Scandium monoxide sco  
472 GaS Gallium monosulfide gas  
473 BO+ boron monoxide cation bo+  
474 CO Carbon monoxide co  
475 CO- carbon monoxide anion co-  
476 CO+ carbon monoxide cation co+  
477 CS carbon monosulfide cs  
478 CS- carbon monosulfide anion cs-  
479 CS+ carbon monosulfide cation cs+  
480 SiO Silicon monoxide sio  
481 SiO- silicon monoxide anion sio-  
482 SiO+ silicon monoxide cation sio+  
483 SiS silicon monosulfide sis  
484 SiS- silicon monosulfide anion sis-  
485 SiS+ silicon monosulfide cation sis+  
486 TiO Titanium monoxide tio  
487 CSe- Carbon monoselenide anion cse-  
488 CSe+ Carbon monoselenide cation cse+  
489 GeO+ Germanium monoxide cation geo+  
490 GeS Germanium monosulfide ges  
491 SiSe Silicon Monoselenide sise  
492 SiSe+ Silicon Monoselenide cation sise+  
493 NO Nitric oxide no  
494 NO- nitric oxide anion no-  
495 NO+ nitric oxide cation no+  
496 NS Mononitrogen monosulfide ns  
497 NS- nitrogen sulfide anion ns-  
498 NS+ nitrogen sulfide cation ns+  
499 PO Phosphorus monoxide po  
500 PO- phosphorus monoxide anion po-  
501 PO+ phosphorus monoxide cation po+  
502 PS phosphorus sulfide ps  
503 PS- phosphorus monosulfide anion ps-  
504 PS+ phosphorus monosulfide cation ps+  
505 VO Vanadium monoxide vo  
506 AsO Arsenic monoxide aso  
507 NSe Nitrogen monoselenide nse  
508 AsS Arsenic monosulfide ass  
509 PSe Phosphorus monoselenide pse  
510 AsSe Arsenic monoselenide asse  
511 O2 Oxygen diatomic o2  
512 O2- oxygen diatomic anion o2-  
513 O2-- dioxygen dianion o2--  
514 O2+ diatomic oxygen cation o2+  
515 SO Sulfur monoxide so  
516 SO- sulfur monoxide anion so-  
517 SO+ sulfur monoxide cation so+  
518 S2 Sulfur diatomic s2  
519 S2- sulfur diatomic anion s2-  
520 S2+ sulfur diatomic cation s2+  
521 SeO- selenium monoxide anion seo-  
522 SeO+ selenium monoxide cation seo+  
523 SeS Selenium monosulfide ses  
524 SeS- selenium monosulfide anion ses-  
525 SeS+ selenium monosulfide cation ses+  
526 Se2- selenium diatomic anion se2-  
527 Se2+ selenium diatomic cation se2+  
528 LiOH lithium hydroxide lioh  
529 NaOH sodium hydroxide naoh  
530 KOH Potassium hydroxide koh  
531 BeOH beryllium monohydroxide beoh  
532 MgOH magnesium hydroxide mgoh  
533 CaOH Calcium monohydroxide caoh  
534 HBO Boron hydride oxide hbo  
535 HBS hydrogen boron sulfide hbs  
536 COH Hydroxymethylidyne coh  
537 COH+ Carbon Monoxide, protonated coh+  
538 HCO Formyl radical hco  
539 HCO- formyl anion hco-  
540 HCO+ Formyl cation hco+  
541 HCS Thioformyl radical hcs  
542 HCS- Thioformyl anion hcs-  
543 HCS+ Thioformyl cation hcs+  
544 HNO Nitrosyl hydride hno  
545 HNO- Nitrosyl hydride anion hno-  
546 HNO+ Nitrosyl hydride cation hno+  
547 NOH Hydroxyimidogen noh  
548 NOH+ O-protonated nitric oxide noh+  
549 HNS Sulfur imide hns  
550 HNS- Sulfur imide anion hns-  
551 HO2 Hydroperoxy radical ho2  
552 HO2- Hydroperoxy anion ho2-  
553 HO2+ Hydroperoxy cation ho2+  
554 HSO+ Sulfur Monoxide, S-protonated HSO+  
555 SOH Sulfur Hydroxide soh  
556 SOH+ Sulfur Monoxide, protonated soh+  
557 HS2 Thiosulfeno radical hs2  
558 H2CO Formaldehyde h2co  
559 H2CO- formaldehyde anion h2co-  
560 H2CO+ formaldehyde cation h2co+  
561 HOCH hydroxycarbene hoch  
562 H2CS Thioformaldehyde h2cs  
563 H2CS- thioformaldehyde anion h2cs-  
564 H2CS+ thioformaldehyde cation h2cs+  
565 H2NO nitroxide h2no  
566 H2O2 Hydrogen peroxide h2o2  
567 H2O2+ Hydrogen peroxide cation h2o2+  
568 H2OO water oxide h2oo  
569 HOSH hydrogen thioperoxide hosh  
570 H2S2 Disulfane h2s2  
571 H2S2+ hydrogen disulfide cation h2s2+  
572 CH2OH Hydroxymethyl radical ch2oh  
573 CH2OH+ hydroxymethyl cation ch2oh+  
574 CH3O Methoxy radical ch3o  
575 CH3O- methoxy anion ch3o-  
576 CH3O+ Methoxy cation ch3o+  
577 CH3S thiomethoxy ch3s  
578 H2CSH+ Thioformaldehyde, protonated h2csh+  
579 NH2OH hydroxylamine nh2oh  
580 NH2OH+ Hydroxylamine cation nh2oh+  
581 NH3O Ammonia Oxide nh3o  
582 H2POH Phosphinous acid h2poh  
583 H3PO Phosphine oxide h3po  
584 NH2SH Thiohydroxylamine nh2sh  
585 NH3S sulfidoazane nh3s  
586 H3O2+ hydrogen peroxide, protonated h3o2+  
587 CH3OH Methyl alcohol ch3oh  
588 CH3OH- Methyl alcohol anion ch3oh-  
589 CH3OH+ Methyl alcohol cation ch3oh+  
590 CH3SH Methanethiol ch3sh  
591 CH3SH+ Methanethiol cation ch3sh+  
592 SiH3OH silanol sih3oh  
593 CH3SeH Methane selenol ch3seh  
594 NH2OH2+ protonated hydroxylamine nh2oh2+  
595 NH3OH+ N-protonated hydroxylamine nh3oh+  
596 H2OH2O water dimer h2oh2o  
597 CH3OH2+ Methanol, protonated ch3oh2+  
598 CH3SH2+ protonated methylsulfide ch3sh2+  
599 H2ONH3 Water Ammonia Dimer h2onh3  
600 H5O2+ Dihydroxonium ion h5o2+  
601 LiF lithium fluoride lif  
602 LiCl lithium chloride licl  
603 LiCl- lithium chloride anion licl-  
604 LiCl+ lithium chloride cation licl+  
605 NaF sodium fluoride naf  
606 NaF- sodium fluoride anion naf-  
607 NaF+ sodium fluoride cation naf+  
608 KF Potassium Fluoride kf  
609 NaCl Sodium Chloride nacl  
610 NaCl- sodium chloride anion nacl-  
611 NaCl+ sodium chloride cation nacl+  
612 KCl Potassium Chloride kcl  
613 CuF Copper monofluoride cuf  
614 LiBr- lithium bromide anion libr-  
615 LiBr+ lithium bromide cation libr+  
616 CuCl Copper monochloride cucl  
617 NaBr Sodium Bromide nabr  
618 NaBr- sodium bromide anion nabr-  
619 NaBr+ sodium bromide cation nabr+  
620 KBr Potassium Bromide kbr  
621 KI Potassium Iodide ki  
622 LiF- lithium fluoride anion lif-  
623 LiF+ lithium fluoride cation lif+  
624 BeF Beryllium monofluoride bef  
625 BeF- Beryllium monofluoride anion bef-  
626 BeF+ Beryllium monofluoride cation bef+  
627 BeCl beryllium monochloride becl  
628 MgF Magnesium monofluoride mgf  
629 MgF- magnesium fluoride anion mgf-  
630 MgF+ magnesium fluoride cation mgf+  
631 CaF Calcium monofluoride caf  
632 MgCl magnesium monochloride mgcl  
633 MgCl- magnesium monochloride anion mgcl-  
634 MgCl+ magnesium monochloride cation mgcl+  
635 CaCl calcium monochloride cacl  
636 TiCl Titanium Monochloride ticl  
637 ZnF Zinc monofluoride znf  
638 ZnF- Zinc monofluoride anion znf-  
639 ZnF+ Zinc monofluoride cation znf+  
640 ZnCl Zinc monochloride zncl  
641 CaBr Calcium monobromide cabr  
642 BeCl- beryllium monochloride anion becl-  
643 BeCl+ beryllium monochloride cation becl+  
644 BF Boron monofluoride bf  
645 BF- Boron monofluoride anion bf-  
646 BF+ Boron monofluoride cation bf+  
647 AlF Aluminum monofluoride alf  
648 AlF- Aluminum monofluoride anion alf-  
649 AlF+ Aluminum monofluoride cation alf+  
650 BCl boron monochloride bcl  
651 BCl- boron monochloride anion bcl-  
652 BCl+ boron monochloride cation bcl+  
653 AlCl Aluminum monochloride alcl  
654 AlCl- aluminum monochloride anion alcl-  
655 AlCl+ aluminum monochloride cation alcl+  
656 ScF Scandium monofluoride scf  
657 BBr Boron monobromide bbr  
658 GaF+ Gallium monofluoride cation gaf+  
659 AlBr Aluminum monobromide albr  
660 GaCl+ Gallium monochloride cation gacl+  
661 CF Fluoromethylidyne cf  
662 CF- carbon monofluoride anion cf-  
663 CF+ carbon monofluoride cation cf+  
664 CCl carbon monochloride ccl  
665 CCl- carbon monochloride anion ccl-  
666 CCl+ carbon monochloride cation ccl+  
667 SiF silicon monofluoride sif  
668 SiF- silicon monofluoride anion sif-  
669 SiF+ silicon monofluoride cation sif+  
670 SiCl Clorosilylidyne sicl  
671 SiCl- silicon monochloride anion sicl-  
672 SiCl+ silicon monochloride cation sicl+  
673 GeF+ Germanium monofluoride cation gef+  
674 GeCl+ Germanium monochloride cation gecl+  
675 SiBr Silicon monobromide sibr  
676 SiBr+ Silicon monobromide cation sibr+  
677 NF nitrogen fluoride nf  
678 NF- nitrogen monofluorine anion nf-  
679 NF+ nitrogen monofluoirde cation nf+  
680 NCl nitrogen monochloride ncl  
681 NCl- nitrogen monochloride anion ncl-  
682 NCl+ nitrogen monochloride cation ncl+  
683 PF phosphorus monofluoride pf  
684 PF- phosphorus monofluoride anion pf-  
685 PF+ phosphorus monofluoride cation pf+  
686 PCl phosphorus chloride pcl  
687 PCl- phosphorus monochloride anion pcl-  
688 PCl+ phosphorus monochloride cation pcl+  
689 AsF Arsenic monofluoride asf  
690 NBr nitrogen monobromide nbr  
691 AsCl Arsenic monochloride ascl  
692 PBr Phosphorus monobromide pbr  
693 SbF Antimony monofluoride sbf  
694 SbCl Antimony monochloride sbcl  
695 FO Oxygen monofluoride fo  
696 FO- flourine oxide anion fo-  
697 FO+ fluorine monoxide cation fo+  
698 ClO Monochlorine monoxide clo  
699 ClO- chlorine monoxide anion clo-  
700 ClO+ chlorine monoxide cation clo+  
701 SF Monosulfur monofluoride sf  
702 SF- sulfur monofluoride anion sf-  
703 SF+ sulfur monofluoride cation sf+  
704 SCl sulfur monochloride scl  
705 SCl- sulfur monochloride anion scl-  
706 SCl+ sulfur monochloride cation scl+  
707 BrO- Bromine monoxide anion bro-  
708 SeF Selenium monofluoride sef  
709 SeCl Selenium monochloride secl  
710 F2 Fluorine diatomic f2  
711 F2- flourine diatomic anion f2-  
712 F2+ flourine diatomic cation f2+  
713 ClF Chlorine monofluoride clf  
714 ClF- clorine monofluoride anion clf-  
715 ClF+ clorine monofluoride cation clf+  
716 Cl2 Chlorine diatomic cl2  
717 Cl2- chlorine diatomic anion cl2-  
718 Cl2+ chlorine diatomic cation cl2+  
719 BrF- bromine fluoride anion brf-  
720 BrF+ bromine fluoride cation brf+  
721 BrCl- bromine chloride anion brcl-  
722 BrCl+ bromine chloride cation brcl+  
723 HCF Fluoromethylene hcf  
724 HCCl Chloromethylene hccl  
725 HSiF fluorosilylene hsif  
726 HSiCl Chlorosilylene hsicl  
727 CHBr bromomethylene chbr  
728 HOF Hypofluorous acid hfo  
729 DOCl Hypochlorous acid-d docl  
730 HOCl hypochlorous acid hocl  
731 HOCl+ hypochlorous acid cation hocl+  
732 HOBr Hypobromous acid hobr  
733 HOBr+ Hypobromous acid cation hobr+  
734 F2H+ Fluorine, protonated f2h+  
735 FHF Hydrogen difluoride fhf  
736 FHF- Hydrogen difluoride anion fhf-  
737 ClFH+ Chlorine fluoride, F-protonated clfh+  
738 FClH+ Chlorine fluoride, Cl-protonated fclh+  
739 Cl2H+ Chlorine, protonated cl2h+  
740 CH2F fluoromethyl radical ch2f  
741 CH2F+ fluoromethyl cation ch2f+  
742 CH2Cl+ chloromethyl cation ch2cl+  
743 CH2Cl chloromethyl radical ch2cl  
744 NH2F monofluoroamine nh2f  
745 NH2Cl chloramine nh2cl  
746 H2F2 Hydrogen fluoride dimer h2f2  
747 CH3F+ methyl fluoride cation ch3f+  
748 CD3F methylfluoride-d3 cd3f  
749 CH3F Methyl fluoride ch3f  
750 CD3Cl methyl chloride d3 cd3cl  
751 CH3Cl Methyl chloride ch3cl  
752 CH3Cl+ Methyl chloride cation ch3cl+  
753 SiH3F monofluorosilane sih3f  
754 SiH3Cl chlorosilane sih3cl  
755 GeH3F monofluorogermane geh3f  
756 SiH3Br bromosilane sih3br  
757 NH3Cl+ protonated monochloroammonia nh3cl+  
758 CH3ClH+ methyl chloride, protonated ch3clh+  
759 NH4Cl Ammonium chloride nh4cl  
760 LiNe+ Lithium Neon cation line+  
761 Ne2 Neon diatomic ne2  
762 Ne2+ Neon diatomic cation ne2+  
763 Ar2 Argon diatomic ar2  
764 Ar2+ Argon diatomic cation ar2+  
765 Li3 Lithium trimer li3  
766 Li3+ Lithium trimer cation li3+  
767 C3 carbon trimer c3  
768 C3+ carbon trimer cation c3+  
769 SiC2 Silicon dicarbide sic2  
770 C3H3 cyclopropenyl radical cpr  
771 C3H3 Propargyl radical propargyl  
772 C3H3- Propargyl anion c3h3-  
773 C3H3+ cyclopropenyl cation cpr+  
774 C3H3+ Propargyl cation c3h3+  
775 C3H4 cyclopropene cprop  
776 CH2CCH2 allene allene  
777 CH3CCH propyne propyne  
778 C3H5 Allyl radical allyl  
779 C3H5+ Allyl cation allyl+  
780 CH3CHCH 1-propenyl radical ch3chch  
781 Zn(CH3)2 dimethyl zinc dmz  
782 C3H6 Cyclopropane c3h6  
783 CH2CHCH3 Propene propene  
784 C3H7 n-Propyl radical npropyl  
785 C3H7+ cyclopropane, protonated c3h7+  
786 CH3CHCH3 Isopropyl radical isopropyl  
787 CH3CHCH3+ Isopropyl cation prop2yl+  
788 C3H8 Propane propane  
789 SiH2(CH3)2 dimethylsilane dms  
790 Si3H8 trisilane si3h8  
791 LiCN lithium cyanide licn  
792 NaCN Sodium Cyanide nacn  
793 KCN Potassium cyanide kcn  
794 CuCN Copper cyanide cucn  
795 ZnCN Zinc monocyanide zncn  
796 ZnNC Zinc isocyanide znnc  
797 AlCN Aluminum monocyanide alcn  
798 AlNC Aluminum isocyanide alnc  
799 CN2 3H-Diazirin-3-ylidene cn2  
800 CNN Diazocarbene cnn  
801 NCN Cyanoimidogen ncn  
802 N3 azide radical n3  
803 N3- azide anion n3-  
804 N3+ azide cation n3+  
805 HCCN cyanomethylene hccn  
806 HCNN diazomethyl radical hcnn  
807 HN3 hydrogen azide hn3  
808 HN3+ Hydrazoic acid cation hn3+  
809 HNCNH diiminomethane hncnh  
810 CH2N2 diazirine ch2n2  
811 CH2NN diazomethane ch2nn  
812 NH2CN cyanamide cyanamide  
813 HNNNH+ 1,2-Triazadienium n2h3+  
814 NH2NN+ hydrazoic acid, protonated nh2nn+  
815 CH3CN Acetonitrile ch3cn  
816 CH3CN- acetonitrile anion ch3cn-  
817 CH3CN+ Acetonitrile cation ch3cn+  
818 CH3NC methyl isocyanide ch3nc  
819 CHNCH2 2H-Azirine c157164  
820 CHNHCH 1H-Azirine chnhch  
821 H2CCNH Ethenimine ch2cnh  
822 H2CNCH methyleneaminomethylene ch2nch  
823 HCCNH2 Ethynamine hccnh2  
824 HCNCH2+ 2H-Azirine cation hcnch2+  
825 HNCNH2+ diiminomethane, protonated hncnh2+  
826 NCNH3+ Cyanamide, protonated ncnh3+  
827 NH2CNH+ cyanamide, cn protonated nh2cnh+  
828 NH3CN+ cyanamide, amine protonated nh3cn+  
829 CH2CHNH vinylazine ch2chnh  
830 CH3CHN methylmethaniminyl radical ch3chn  
831 NHCHNH2 aminomethanimine cn2h4  
832 C2H5N Aziridine c2h5n  
833 CH2CHNH2 aminoethene aminoethene  
834 CH2NCH3 N-methylmethanimine nmm  
835 CH3CHNH ethanimine ethanimine  
836 NH2BHNH2 diaminoborane nh2bhnh2  
837 C2H5NH+ Protonated Aziridine c2h5nh+  
838 C2H6N+ aziridine, protonated c2h6n+  
839 NH2CH2NH2 diaminomethane nh2ch2nh2  
840 CH3CH2NH2 Ethylamine etam  
841 CH3NHCH3 Dimethylamine ch3nhch3  
842 CH3PHCH3 dimethylphosphine ch3phch3  
843 NH2CH2NH3+ diaminoethane, protonated pdam  
844 (CH3)2NH2+ dimethylammonium cation dmam  
845 CH3CH2NH3+ ethylamine, protonated pea  
846 Li2O dilithium oxide li2o  
847 Li2O+ dilithium oxide cation li2o+  
848 Li2S dilithium sulfide li2s  
849 Na2O disodium monoxide na2o  
850 Na2S Sodium sulfide na2s  
851 LiO2 Lithium dioxide lio2  
852 NaO2 Sodium superoxide nao2  
853 CCO Dicarbon monoxide cco  
854 CNO- fulminate cno-  
855 NCO isocyanato radical nco  
856 NCO- cyanate nco-  
857 SCN thiocyanato radical scn  
858 SCN- thiocyanide anion scn-  
859 BO2 Boron dioxide bo2  
860 BO2- Boron dioxide anion bo2-  
861 BO2+ Boron dioxide cation bo2+  
862 N2O Nitrous oxide n2o  
863 N2O- Nitrous oxide anion n2o-  
864 N2O+ Nitrous oxide cation n2o+  
865 NNS Nitrogen sulfide nns  
866 PPO Phosphorus oxide phosphide ppo  
867 CO2 Carbon dioxide co2  
868 CO2- Carbon dioxide anion co2-  
869 CO2+ Carbon dioxide cation co2+  
870 OCS Carbonyl sulfide cos  
871 OCS+ Carbonyl sulfide cation cos+  
872 SiO2 silicon dioxide sio2  
873 CS2 Carbon disulfide cs2  
874 CS2- Carbon disulfide anion cs2-  
875 CS2+ Carbon disulfide cation cs2+  
876 TiO2 Titanium dioxide tio2  
877 SiS2 Silicon disulfide sis2  
878 OCSe Carbonyl selenide ocse  
879 SCSe Carbon sulfide selenide scse  
880 GeS2 Germanium disulfide ges2  
881 CSe2 Carbon diselenide cse2  
882 NO2 Nitrogen dioxide no2  
883 NO2- Nitrogen dioxide anion no2-  
884 NO2+ Nitrogen dioxide cation no2+  
885 NSO sulfinyl amidogen NSO  
886 PO2 Phosphorus dioxide po2  
887 PO2- Phosphorus dioxide anion po2-  
888 PO2+ Phosphorus dioxide cation po2+  
889 SNO Nitrogen oxide sulfide sno  
890 AsO2 Aresenic dioxide aso2  
891 O3 Ozone o3  
892 O3- Ozone anion o3-  
893 O3+ Ozone cation o3+  
894 SO2 Sulfur dioxide so2  
895 SO2- Sulfur dioxide anion so2-  
896 SO2+ Sulfur dioxide cation so2+  
897 SSO Disulfur monoxide sso  
898 S3 Sulfur trimer s3  
899 S3- Sulfur trimer anion s3-  
900 S3+ Sulfur trimer cation s3+  
901 SeO2+ Selenium dioxide cation seo2+  
902 HCCO ketenyl radical ketenyl  
903 CS2H+ Carbon disulfide, protonated cs2h+  
904 HCNO fulminic acid hcno  
905 HNCO Isocyanic acid hnco  
906 HOCN cyanic acid hocn  
907 HNCS Isothiocyanic acid hncs  
908 HSCN thiocyanic acid hscn  
909 HCO2- formate anion hco2-  
910 HNNO nitrosoazane hnno  
911 HNNO+ Nitrous oxide, N-protonated hnno+  
912 NNOH+ Nitrous Oxide, O-protonated nnoh+  
913 HCOO formate neutral radical hcoo  
914 HOCO Hydrocarboxyl radical hoco  
915 HOCO+ Hydrocarboxyl cation hoco+  
916 HNO2 Nitrous acid hno2  
917 HNO2+ nitrous acid cation hno2+  
918 O3H+ protonated ozone o3h+  
919 SO2H+ protonated sulfur dioxide so2h+  
920 C2H2O Oxirene oxirene  
921 CH2CO Ketene ch2co  
922 CH2CO+ Ketene cation ch2co+  
923 HCCOH ethynol hccoh  
924 CH2CS Thioketene ch2cs  
925 Be(OH)2 Beryllium hydroxide beo2h2  
926 Mg(OH)2 Magnesium dihydroxide h2mgo2  
927 NH2NO Nitrosamide nh2no  
928 CH2O2 Dioxirane diox  
929 H2COO Dioxymethyl radical h2coo  
930 H2COO+ dioxymethyl cation h2coo+  
931 HCOOH Formic acid ch2o2  
932 H2O3 Hydrogen trioxide h2o3  
933 HSSSH trisulfane hsssh  
934 NaOCH3 Sodium methoxide naoch3  
935 CH2BOH hydroxy(methylene)borane ch2boh  
936 BH3CO Borane carbonyl bh3co  
937 CH3BO Borane, methyloxo- ch3bo  
938 CH2CHO Vinyloxy radical ch2cho  
939 CH2COH+ ketene, protonated ch2coh+  
940 CH3CO Acetyl radical ch3co  
941 CH3CO- Acetyl anion ch3co-  
942 CH3CO+ acetyl cation ch3co+  
943 CH2NOH formaldoxime ch2noh  
944 CH3NO nitrosomethane ch3no  
945 CHONH2 formamide formamide  
946 CNOH3 1,2-oxaziridine cnoh3  
947 HOCHNH hydroxymethylimine hochnh  
948 CHSNH2 thioformamide chsnh2  
949 NHCHSH Methanimidothioic acid nhchsh  
950 CH2OOH CH2OOH radical ch2ooh  
951 CH3OO methylperoxy radical ch3oo  
952 CH3OO- methylperoxy anion ch3oo-  
953 CH3OO+ methylperoxy cation ch3oo+  
954 C2H4O Ethylene oxide c2h4o  
955 C2H4O+ ethylene oxide cation c2h4o+  
956 CH2CHOH ethenol ch2choh  
957 CH3CHO Acetaldehyde ch3cho  
958 CH3CHO+ acetaldehyde cation ch3cho+  
959 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
960 C2H4S Thiirane thiirane  
961 CH2CHSH Ethenethiol ch2chsh  
962 CH3CHS Thioacetaldehyde ch3chs  
963 H2CONH2+ protonated formamide h2conh2+  
964 NH2CHOH+ Formamide, O-protonated nh2choh+  
965 NH3CHO+ Formamide, N-Protonated nh3cho+  
966 CH2(OH)2 methanediol ch2o2h2  
967 CH3OOH Methyl peroxide ch3ooh  
968 CH3SSH Hydrogen methyl disulfide ch3ssh  
969 HSCH2SH Methanedithiol ch4s2  
970 H2OH2CO water formaldehyde dimer h2oh2co  
971 C2H4OH+ ethylene oxide, protonated c2h4oh+  
972 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
973 CH3CH2O Ethoxy radical ethoxy  
974 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
975 CH3CHOH+ acetaldehyde, protonated ch3choh+  
976 CH3OCH2 methoxymethyl radical ch3och2  
977 NH2CH2OH aminomethanol nh2ch2oh  
978 CH3CH2OH Ethanol etoh  
979 CH3OCH3 Dimethyl ether meome  
980 CH3CH2SH ethanethiol etsh  
981 CH3SCH3 Dimethyl sulfide mesme  
982 CH3SCH3+ dimethyl sulfide cation mesme+  
983 CH3SeCH3 dimethylselenide dmse  
984 CH3OHH2O methanol water dimer ch3ohh2o  
985 H2OCH3OH water methanol dimer h2och3oh  
986 CuF2 Copper difluoride cuf2  
987 ZnF2 Zinc difluoride znf2  
988 CNF iso cyanogen fluoride cnf  
989 FCN Cyanogen fluoride fcn  
990 ClCN chlorocyanogen clcn  
991 FBO Boron monofluoride monoxide fbo  
992 BeF2 Beryllium fluoride bef2  
993 MgF2 Magnesium fluoride mgf2  
994 BeCl2 Beryllium chloride becl2  
995 MgCl2 Magnesium dichloride mgcl2  
996 CaCl2 Calcium Chloride cacl2  
997 ZnCl2 Zinc dichloride zncl2  
998 CaF2 Calcium difluoride caf2  
999 FCO Carbonyl fluoride fco  
1000 FCO+ Carbonyl fluoride cation fco+  
1001 ClCO carbonyl monochloride clco  
1002 BF2 Boron difluoride radical bf2  
1003 FNO Nitrosyl fluoride fno  
1004 ClNO Nitrosyl chloride clno  
1005 FNS Thionitrosyl fluoride fns  
1006 FSN Thiazyl fluoride fsn  
1007 OPCl Phosphorus oxychloride opcl  
1008 BrNO Nitrosyl bromide brno  
1009 INO Nitrosyl iodide ino  
1010 CF2 Difluoromethylene cf2  
1011 CF2- Difluoromethylene anion cf2-  
1012 CF2+ Difluoromethylene cation cf2+  
1013 CFCl chlorofluoromethylene cfcl  
1014 SiF2 Silicon difluoride sif2  
1015 SiF2+ Silicon difluoride cation sif2+  
1016 CCl2 dichloromethylene ccl2  
1017 CCl2- dichloromethylene anion ccl2-  
1018 CCl2+ dichloromethylene cation ccl2+  
1019 SiCl2 Dichlorosilylene sicl2  
1020 GeF2 Germanium difluoride gef2  
1021 CBr2 dibromomethylene cbr2  
1022 FOO Dioxygen monofluoride radical foo  
1023 FOO+ Fluorine dioxide cation foo+  
1024 ClOO chloroperoxy radical cloo  
1025 ClOO+ chloroperoxy cation cloo+  
1026 OClO Chlorine dioxide oclo  
1027 OClO- Chlorine dioxide anion oclo-  
1028 OClO+ Chlorine dioxide cation oclo+  
1029 ClSO Sulfur chloride oxide clso  
1030 ClS2 Sulfur chloride cls2  
1031 OBrO Bromine dioxide radical obro  
1032 NF2 Difluoroamino radical nf2  
1033 NF2+ Difluoroamino cation nf2+  
1034 PF2 Phosphorus difluoride pf2  
1035 PF2+ Phosphorus difluoride cation pf2+  
1036 FClO chlorosyl fluoride fclo  
1037 F2O Difluorine monoxide f2o  
1038 ClOF Chlorine hypofluorite clof  
1039 SF2 sulfur difluoride sf2  
1040 SF2- sulfur difluoride anion sf2-  
1041 SF2+ sulfur difluoride cation sf2+  
1042 Cl2O Dichlorine monoxide cl2o  
1043 SCl2 Sulfur dichloride scl2  
1044 BrOCl Bromine hypochlorite brocl  
1045 SeCl2 Selenium Dichloride secl2  
1046 BrOBr Bromine oxide brobr  
1047 F3- trifluoride anion f3-  
1048 Cl3- trichloride anion cl3-  
1049 SFCl Sulfur chloride fluoride sfcl  
1050 HCCF Fluoroacetylene hccf  
1051 HCCF+ fluoroacetylene cation hccf+  
1052 HCCCl Chloroacetylene hcccl  
1053 HCCBr bromoacetylene hccbr  
1054 HFCO formyl fluoride hfco  
1055 HFCO+ formyl fluoride cation hfco+  
1056 COHCl Formyl chloride cohcl  
1057 COHBr Formyl bromide cohbr  
1058 BHF2 Difluoroborane bhf2  
1059 BHCl2 Borane, dichloro- bhcl2  
1060 CHCl2 dichloromethyl radical chcl2  
1061 CHF2 difluoromethyl radical chf2  
1062 CHF2+ difluoromethyl cation chf2+  
1063 CHFCl Chlorofluoromethyl radical chfcl  
1064 CHFCl+ Chlorofluoromethyl cation chfcl+  
1065 CHCl2+ dichloromethyl cation chcl2+  
1066 HOClO Chlorous acid hoclo  
1067 NHF2 difluoramine nhf2  
1068 NHCl2 dichloroamine nhcl2  
1069 CH2F2 Methane, difluoro- ch2f2  
1070 CH2FCl fluorochloromethane ch2fcl  
1071 SiH2F2 difluorosilane sih2f2  
1072 CH2Cl2 Methylene chloride ch2cl2  
1073 CH2BrF Methane, bromofluoro- ch2fbr  
1074 SiH2Cl2 dichlorosilane sih2cl2  
1075 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1076 CH2CHF Ethene, fluoro- ch2chf  
1077 CH2CHF+ fluoroethene cation ch2chf+  
1078 C2H3Cl Ethene, chloro- ch2chcl  
1079 C2H3Br vinyl bromide c2h3br  
1080 CH2FOH fluoromethanol ch2foh  
1081 CH3OCl methyl hypochlorite ch3ocl  
1082 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1083 CHClCH3 1-chloroethyl radical chclch3  
1084 C2H5F fluoroethane c2h5f  
1085 CH3CH2Cl Ethyl chloride c2h5cl  
1086 CH3SiFH2 fluoromethylsilane ch3sifh2  
1087 KrF2 Krypton difluoride krf2  
1088 B4H10 Tetraborane(10) b4h10  
1089 C4 Carbon tetramer c4  
1090 C4+ Carbon tetramer cation c4+  
1091 C4H2 Diacetylene c4h2  
1092 C4H2+ diacetlyene cation c4h2+  
1093 C2H3CCH 1-Buten-3-yne c2h3cch  
1094 C4H4 cyclobutadiene cbd  
1095 C4H4 Tetrahedrane c4h4  
1096 H2CCCCH2 Butatriene h2cccch2  
1097 C4H6 1-Methylcyclopropene c3100047  
1098 C4H6 Cyclobutene c822355  
1099 C4H6 Methylenecyclopropane c6142730  
1100 CH2CCHCH3 1,2-Butadiene butad12  
1101 CH2CHCHCH2 1,3-Butadiene c106990  
1102 CH3CCCH3 2-Butyne c503173  
1103 CHCCH2CH3 1-Butyne c107006  
1104 CH3CHCHCH2 methylallyl radical c4h7  
1105 C4H8 methylcyclopropane mcp  
1106 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1107 CH2CHCH2CH3 1-Butene bute1  
1108 CH3CHCHCH3 2-Butene, (E)- bute2e  
1109 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1110 B(CH3)3 trimethylborane bme3  
1111 Al(CH3)3 trimethyl aluminum tma  
1112 C(CH3)3 Tert-butyl radical tbutyl  
1113 CH2CH(CH3)2 Isobutyl radical isobutyl  
1114 CH3CHCH2CH3 2-Butyl radical butyl2  
1115 CH3CH(CH3)CH3 Isobutane isobutane  
1116 CH3CH2CH2CH3 Butane butane  
1117 SiH(CH3)3 trimethylsilane trimsi  
1118 Li3N trilithium nitride li3n  
1119 C2N2 Cyanogen c2n2  
1120 C2N2+ Cyanogen cation c2n2+  
1121 P4 Phosphorus tetramer p4  
1122 HCCCN Cyanoacetylene hcccn  
1123 HCCCN+ Cyanoacetylene cation hcccn+  
1124 H2CNCN cyanamide, methylene ch2ncn  
1125 HNCCNH Ethenediimine hnccnh  
1126 C3H3N acrylonitrile ch2chcn  
1127 C3H3N+ acrylonitrile cation ch2chcn+  
1128 CH3N3 methyl azide ch3n3  
1129 NH2CCNH2 Diaminoacetylene daa  
1130 NH2CH2CN Aminoacetonitrile aan  
1131 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1132 C2H5CN ethyl cyanide c2h5cn  
1133 CH5N3 Guanidine guanidine  
1134 C4H6 Bicyclo[1.1.0]butane c157335  
1135 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1136 H2NCHCHNH2 diaminoethylene dae  
1137 CH6N3+ guanidinium ch6n3+  
1138 C3H7N Cyclopropylamine cpram  
1139 CH7N3 triaminomethane tam  
1140 C3H7N Azetidine azet  
1141 C4H8 cyclobutane cbutane  
1142 C2H8N2 Ethylenediamine ethdiam  
1143 CH3NHNHCH3 dimethyl hydrazine dmh  
1144 CH3CH(NH2)CH3 2-Propanamine pram2  
1145 N(CH3)3 Trimethylamine trimeam  
1146 NH2CH2CH2CH3 1-Propanamine pram1  
1147 P(CH3)3 trimethylphosphine tmp  
1148 N(SiH3)3 trisilylamine tsa  
1149 As(CH3)3 trimethyl arsine tmas  
1150 (CH3)3NH+ protonated trimethyl amine ptma  
1151 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1152 Li2O2 dilithium dioxide li2o2  
1153 Na2O2 disodium dioxide na2o2  
1154 K2O2 dipotassium dioxide k2o2  
1155 C3O Tricarbon monoxide c3o  
1156 B2O2 Diboron dioxide b2o2  
1157 ONNO NO dimer onno  
1158 S2N2 Disulfur dinitride s2n2  
1159 CO3 Carbon trioxide co3  
1160 CO3-- carbonate co3--  
1161 CS3-- Carbonotrithioate cs3--  
1162 NO3 Nitrogen trioxide no3  
1163 NO3- nitrate anion no3-  
1164 NO3+ nitrogen trioxide cation no3+  
1165 SO3 Sulfur trioxide so3  
1166 SO3- Sulfur trioxide anion so3-  
1167 SO3-- Sulfate dianion so3--  
1168 SO3+ Sulfur trioxide cation so3+  
1169 SeO3 selenium trioxide seo3  
1170 S4 Sulfur tetramer s4  
1171 HCO3- bicarbonate anion hco3-  
1172 HNO3 Nitric acid hno3  
1173 HSO3 Hydroxysulfonyl radical hso3  
1174 NH2NO2 nitramide nh2no2  
1175 C2H2CO cyclopropenone c2h2co  
1176 C3H2O Propadienal c3h2o  
1177 HCCCHO 2-propynal hcccho  
1178 C2H2O2 Ethanedial c2h2o2  
1179 C2H2O2+ Ethanedial cation c2h2o2+  
1180 H2CO3 Carbonic acid h2co3  
1181 H2CS3 thiocarbonic acid h2cs3  
1182 H2NO3+ Nitric Acid, Protonated h2no3+  
1183 H2SO3 Sulfurous acid h2so3  
1184 C2H3NO Nitrosoethylene c2h3no  
1185 CH3NCO methylisocyante ch3nco  
1186 HOCH2CN cyanomethanol hoch2cn  
1187 CH3COO- acetate anion ch3coo-  
1188 CH3NO2 Methane, nitro- ch3no2  
1189 CH3ONO Methyl nitrite ch3ono  
1190 NH2COOH Carbamic acid nh2cooh  
1191 H3BO3 Boric acid h3bo3  
1192 H3AlO3 Aluminum hydroxide h3alo3  
1193 H3CO3+ carbonic acid, protonated h3co3+  
1194 C3H4O 2-Propyn-1-ol c107197  
1195 C3H4O allenol c9000071  
1196 C3H4O Cyclopropanone cpone  
1197 C3H4O Methylketene c6004440  
1198 CH2CHCHO Acrolein c3h4o  
1199 NH2CONH2 Urea urea  
1200 NH2CONH2+ Urea cation urea+  
1201 NH2CSNH2 Thiourea thiourea  
1202 C2H4O2 1,3-dioxetane c2h4o2  
1203 CH3COOH Acetic acid ch3cooh  
1204 CH3OCHO methyl formate ch3ocho  
1205 CHOCH2OH hydroxy acetaldehyde haa  
1206 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1207 NH3COOH+ protonated Carbamic acid nh3cooh+  
1208 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1209 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1210 HCOOHH2O Formic acid water dimer hcoohh2o  
1211 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1212 CH3COCH2 Acetonyl radical ch3coch2  
1213 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1214 CH3C(OH)=NH Ethaninidic acid eia  
1215 CH3CHNOH Acetaldoxime acetaldoxime  
1216 CH3CONH2 Acetamide acetamide  
1217 HCONHCH3 N-methylformamide nmfa  
1218 CH3CSNH2 Ethanethioamide ch3csnh2  
1219 CH5N2O+ urea, N-protonated ch4n2o+  
1220 H2NCOHNH2+ urea, protonated ureah+  
1221 C2H5OO ethylperoxy radical c2h5oo  
1222 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1223 C3H5OH Cyclopropanol cproh  
1224 C3H6O 2-Propen-1-ol c107186  
1225 C3H6O Acetone enol enol  
1226 C3H6O Oxetane oxetane  
1227 C3H6O Propylene oxide prox  
1228 CH3CH2CHO Propanal propanal  
1229 CH3COCH3 Acetone acetone  
1230 CH3COCH3- acetone anion ch3coch3-  
1231 C3H6S Thietane thietane  
1232 C3H6S Thiirane, methyl- methiirane  
1233 CH3CSCH3 Thioacetone ch3csch3  
1234 C2H6O2 1,2-Ethanediol ethdiol  
1235 CH3OOCH3 dimethylperoxide dmp  
1236 CH3SOCH3 Dimethyl sulfoxide dmso  
1237 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1238 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1239 CH3COHCH3+ acetone, protonated acetoneh+  
1240 HOCH2CH2NH2 monoethanolamine mea  
1241 C3H7OH 1-Propanol proh  
1242 CH3CHOHCH3 Isopropyl alcohol isoproh  
1243 CH3OC2H5 Ethane, methoxy- etome  
1244 C3H7SH 1-Propanethiol prsh  
1245 CH3CHSHCH3 2-Propanethiol isoprsh  
1246 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1247 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1248 Li2F2 Lithium fluoride dimer li2f2  
1249 Na2F2 Sodium Fluoride Dimer na2f2  
1250 Na2Cl2 Disodium dichloride na2cl2  
1251 C2F2 difluoroacetylene c2f2  
1252 C2Cl2 dichloroacetylene c2cl2  
1253 C2Cl2+ dichloroacetylene cation c2cl2+  
1254 FNO2 Nitryl fluoride fno2  
1255 FONO Nitrosyl hypofluorite fono  
1256 ClNO2 Nitryl chloride clno2  
1257 ClONO chlorine nitrite clono  
1258 BrONO Bromine nitrite brono  
1259 N2F2 (Z)-Difluorodiazene n2f2_z  
1260 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1261 CF2O Carbonic difluoride f2co  
1262 CF2O+ Carbonic difluoride cation f2co+  
1263 COFCl Carbonic chloride fluoride cofcl  
1264 CCl2O Phosgene cl2co  
1265 Cl2CS Thiophosgene cl2cs  
1266 COBr2 Carbonic dibromide cobr2  
1267 BF3 Borane, trifluoro- bf3  
1268 BF3- Borane, trifluoro- anion bf3-  
1269 BF3+ boron trifluoride cation bf3+  
1270 AlF3 Aluminum trifluoride alf3  
1271 BClF2 Chlorodifluoroborane bclf2  
1272 AlF2Cl Aluminum chloride difluoride alclf2  
1273 ScF3 Scandium trifluoride ScF3  
1274 AlFCl2 Aluminum dichloride fluoride alcl2f  
1275 BCl3 Borane, trichloro- bcl3  
1276 BCl3+ Boron Trichloride cation bcl3+  
1277 AlCl3 Aluminum trichloride alcl3  
1278 BBr3 Boron tribromide bbr3  
1279 AlBr3 Aluminum Bromide albr3  
1280 ClO3 Chlorine trioxide clo3  
1281 ClO3- chlorate anion clo3-  
1282 BrO3- Bromate anion bro3-  
1283 CF3 Trifluoromethyl radical cf3  
1284 CF3- Trifluoromethyl anion cf3-  
1285 CF3+ Trifluoromethyl cation cf3+  
1286 CF2Cl difluorochloromethyl radical cf2cl  
1287 SiF3 Silicon trifluoride radical sif3  
1288 SiF3+ Silicon trifluoride cation sif3+  
1289 CFCl2 dichlorofluoromethyl radical cfcl2  
1290 CCl3 Trichloromethyl radical ccl3  
1291 CCl3- Trichloromethyl anion ccl3-  
1292 CCl3+ Trichloromethyl cation ccl3+  
1293 SiCl3 trichlorosilyl radical sicl3  
1294 SiCl3+ trichlorosilyl cation sicl3+  
1295 FOOF Perfluoroperoxide foof  
1296 ClO2F Chloryl fluoride clo2f  
1297 F2SO Thionyl Fluoride f2so  
1298 ClOOCl Dichlorine dioxide cloocl  
1299 FSSF Difluorodisulfane fssf  
1300 S2F2 Thio-thionyl fluoride s2f2  
1301 SOCl2 thionyl chloride socl2  
1302 SSCl2 Thiothionyl chloride sscl2  
1303 SeOCl2 selenium oxychloride seocl2  
1304 NF3 Nitrogen trifluoride nf3  
1305 NF3- Nitrogen trifluoride anion nf3-  
1306 NF3+ Nitrogen trifluoride cation nf3+  
1307 PF3 Phosphorus trifluoride pf3  
1308 NCl3 nitrogen trichloride ncl3  
1309 AsF3 Arsenic trifluoride asf3  
1310 PCl3 Phosphorus trichloride pcl3  
1311 AsCl3 Arsenous trichloride ascl3  
1312 PBr3 Phosphorus tribromide pbr3  
1313 AsBr3 Arsenic tribromide asbr3  
1314 ClSSCl Disulfur dichloride s2cl2  
1315 SF3 Sulfur trifluoride sf3  
1316 ClF3 Chlorine trifluoride clf3  
1317 BrF3 Bromine trifluoride brf3  
1318 HClO3 Chloric Acid hclo3  
1319 CHF3 Methane, trifluoro- chf3  
1320 CHF2Cl difluorochloromethane chf2cl  
1321 SiHF3 trifluorosilane sihf3  
1322 CHFCl2 fluorodichloromethane chfcl2  
1323 CDCl3 trichloromethane-d cdcl3  
1324 CHCl3 Chloroform chcl3  
1325 SiHCl3 Trichlorosilane sihcl3  
1326 CHFClBr fluorochlorobromomethane chfclbr  
1327 CHBr2F dibromofluoromethane chbr2f  
1328 CHCl2I dichloroiodomethane chcl2i  
1329 CHClBr2 Methane, dibromochloro- chclbr2  
1330 CHBr3 bromoform chbr3  
1331 CHI3 Iodoform chi3  
1332 NF3H+ protonated nitrogen trifluoride nf3h+  
1333 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1334 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1335 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1336 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1337 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1338 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1339 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1340 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1341 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1342 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1343 C2H2Br2 1,1-dibromoethene c2h2br2  
1344 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1345 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1346 CH2FCHO Fluoroacetaldehyde ch2fcho  
1347 CH3COF Acetyl fluoride ch3cof  
1348 CH2ClCHO chloroacetaldehyde ch2clcho  
1349 CH3COCl Acetyl Chloride ch3cocl  
1350 C2H4F2 1,2-difluoroethane c2h4f2  
1351 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1352 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1353 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1354 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1355 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1356 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1357 CH2CFCH3 2-fluoropropene 2fpro  
1358 CH2CHCH2F Allyl Fluoride allylf  
1359 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1360 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1361 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1362 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1363 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1364 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1365 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1366 CH2FCH2CH3 1-Fluoropropane prf1  
1367 CH3CHFCH3 2-Fluoropropane prf2  
1368 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1369 CH3CHClCH3 Propane, 2-chloro- prcl2  
1370 CH3CH2CH2Br n-propyl bromide prbr  
1371 CH3CHBrCH3 i-propyl bromide iprbr  
1372 C3H9O+ trimethyl oxonium cation c3h9o+  
1373 B5H9 pentaborane9 b5h9  
1374 C5H4 pentatetraene ptrene  
1375 C5H5 cyclopentadienyl radical c5h5  
1376 C5H5- cylopentadienyl anion c5h5-  
1377 C5H6 1,3-Cyclopentadiene c542927  
1378 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1379 C5H6 3-Penten-1-yne, (E)- c2004695  
1380 C5H6 3-Penten-1-yne, (Z)- c1574409  
1381 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1382 C5H6 Cyclopropylacetylene c6746947  
1383 C5H6 Propellane propellane  
1384 C5H7 1,3-pentadienyl radical pdyl  
1385 C5H7 cyclopentenyl radical cpyl  
1386 C5H8 1,2-Butadiene, 3-methyl- c598254  
1387 C5H8 1,2-Pentadiene c591957  
1388 C5H8 1,3-Butadiene, 2-methyl- c78795  
1389 C5H8 1,3-Pentadiene, (E)- c2004708  
1390 C5H8 1,3-Pentadiene, (Z)- c1574410  
1391 C5H8 1,4-Pentadiene c591935  
1392 C5H8 1-pentyne a1pentyne  
1393 C5H8 2,3-Pentadiene c591968  
1394 C5H8 Bicyclo[1.1.1]pentane bcp  
1395 C5H8 Cyclobutane, methylene- c1120565  
1396 C5H8 Cyclopentene c142290  
1397 C5H8 Ethenylcyclopropane c693867  
1398 CH3CCCH2CH3 2-Pentyne 2pentyne  
1399 C5H10 1-Butene, 2-methyl- c563462  
1400 C5H10 2-Butene, 2-methyl- c513359  
1401 C5H10 2-Pentene, (E)- c646048  
1402 C5H10 2-Pentene, (Z)- c627203  
1403 C5H10 Cyclopentane c287923  
1404 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1405 CH2CHCH2CH2CH3 1-pentene pentene  
1406 C5H11 2-Methylbut-2-yl radical c4348350  
1407 C5H12 Butane, 2-methyl- buta2  
1408 C5H12 Pentane pentane  
1409 C5H12 Propane, 2,2-dimethyl- neopentane  
1410 Si(CH3)4 tetramethylsilane tms  
1411 N2O3 Dinitrogen trioxide n2o3  
1412 C3H2N2 Malononitrile c3h2n2  
1413 CH2N4 1H-Tetrazole 1htz  
1414 C3H3N2 imidazolyl radical im  
1415 C3H3N2- imidizolyl anion im-  
1416 C2H3N3 1H-1,2,4-Triazole c288880  
1417 C4H4N pyrrolide radical c4h4n  
1418 C4H4N- pyrrolide anion c4h4n-  
1419 C3H4N2 1H-Imidazole 1himidaz  
1420 C3H4N2 1H-Pyrazole 1hpyraz  
1421 C3H4N2 2H-Imidazole imid2h  
1422 C3H4N2 4H-Imidazole imid4h  
1423 C4H5N (E)-2-Butenenitrile c627269  
1424 C4H5N (Z)-2-Butenenitrile c1190767  
1425 C4H5N 2H-pyrrole pyrrole2  
1426 C4H5N 3H-pyrrole pyrrole3  
1427 C4H5N Cyclopropanecarbonitrile c5500210  
1428 C4H5N Pyrrole pyrrole  
1429 CH2CHCH2CN Allylcyanide ch2chch2cn  
1430 C4H6N+ pyrrole, alpha-protonated appyr  
1431 C4H6N+ pyrrole, beta-protonated bppyr  
1432 C4H6N+ pyrrole, protonated ppyr  
1433 C3H6N2 3-Aminopropionitrile c151188  
1434 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1435 CH3CH2CH2CN Butanenitrile c109740  
1436 C5H8 Bicyclo[2.1.0]pentane c185944  
1437 C5H8 Spiropentane c157404  
1438 C4H9N Cyclobutylamine cbam  
1439 C4H9N Pyrrolidine pyrrolidine  
1440 C3H10N2 1,2-Diaminopropane diampr12  
1441 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1442 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1443 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1444 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1445 NH(C2H5)2 diethylamine dea  
1446 NC4H12+ tetramethyl ammonium cation nc4h12+  
1447 C3O2 Carbon suboxide c3o2  
1448 C3O2+ Carbon suboxide cation c3o2+  
1449 B2O3 diboron trioxide b2o3  
1450 MgCO3 Magnesium Carbonate mgco3  
1451 BeCO3 Beryllium Carbonate beco3  
1452 CaCO3 Calcium Carbonate caco3  
1453 ONONO Nitrosyl nitrite onono  
1454 PO4--- phosphate po4---  
1455 SO4-- sulfate so4--  
1456 HOONO2 peroxy nitric acid hoono2  
1457 HSO4- bisulfate anion hso4-  
1458 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1459 C3H2O2 Propiolic acid c3h2o2  
1460 CHOCOOH oxo acetic acid oaa  
1461 CHOOCHO diformyl ether choocho  
1462 H2SO4 Sulfuric acid h2so4  
1463 H2SeO4 Selenic acid h2seo4  
1464 C3H3NO Isoxazole isox  
1465 C3H3NO Oxazole oxazole  
1466 C3H3NS Thiazole thiazole  
1467 CH3C(O)OO acetyl peroxy radical ch3coo2  
1468 CH3NO3 Methyl nitrate ch3no3  
1469 H3PO4 Phosphoric Acid h3po4  
1470 C4H4O Furan furan  
1471 C4H4O+ Furan cation furan+  
1472 CH3COCCH 3-butyn-2-one c1423605  
1473 C4H4S Thiophene furans  
1474 C4H4Se selenophene c4h4se  
1475 C3H4O2 β–Propiolactone beta  
1476 C3H4O2 2-Propenoic acid propenoic2  
1477 C3H4O2 Methyl glyoxal megly  
1478 C3H4O2 propanedial propanedial  
1479 C3H4O2 propenalol propenalol  
1480 HOCHCCHOH allenediol aldiol  
1481 C2H4O3 1,2,3-trioxolane c2h4o3  
1482 C2H4O3 trioxolane124 triox  
1483 HOCH2COOH Hydroxyacetic acid hac  
1484 CH2CHCONH2 Acrylamide c79061  
1485 CH3OCH2CN Methoxyacetonitrile c1738369  
1486 CH5N3S Hydrazinecarbothioamide c79196  
1487 H2NCH2COOH Glycine glycine  
1488 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1489 C4H6O cis-2-butenal butenal2c  
1490 C4H6O Cyclobutanone cbutone  
1491 C4H6O Furan, 2,3-dihydro- furan23h  
1492 C4H6O Furan, 2,5-dihydro- furan25h  
1493 CH2CHOCHCH2 Vinyl ether vinylether  
1494 CHOCHCHCH3 2-Butenal butenal2  
1495 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1496 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1497 CH2CHSCHCH2 Divinyl sulfide divis  
1498 C2H6N2O Urea, methyl- c598505  
1499 C3H6O2 1,3-Dioxolane dioxolane  
1500 CH3CH2COOH Propanoic Acid propanoic  
1501 CH3COOCH3 methyl acetate aame  
1502 HCOOC2H5 Ethyl formate faee  
1503 C2H6O2S Dimethyl sulfone c67710  
1504 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1505 C3H7NO dimethylformamide dmf  
1506 C3H7NO Propanamide propanam  
1507 C2H3OC2H5 Ethene, ethoxy- c109922  
1508 C4H8O Cyclobutanol c2919235  
1509 C4H8O Furan, tetrahydro- thf  
1510 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1511 CH3COCH2CH3 2-Butanone buta2one  
1512 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1513 CHOCH2CH2CH3 Butanal butanal  
1514 C4H8S Thiophene, tetrahydro- tht  
1515 C3H8O2 1,3-Propanediol c504632  
1516 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1517 C3H8O2 Methane, dimethoxy- c109875  
1518 C3H8O2 Propylene glycol c57556  
1519 C3H8S2 1,3-Propanedithiol c109808  
1520 C4H10O 1-Butanol butanol1  
1521 C4H10O 1-Propanol, 2-methyl- c78831  
1522 C4H10O 2-Butanol, (.+/-.)- butanol2  
1523 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1524 C4H10O Ethoxy ethane etoet  
1525 C4H10O Methyl propyl ether meopr  
1526 C4H10O Propane, 2-methoxy- c598538  
1527 C4H10O+ 1-Butanol cation butanol1+  
1528 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1529 C2H5SC2H5 Diethyl sulfide etset  
1530 C4H9SH 1-Butanethiol bush  
1531 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1532 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1533 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1534 FNO3 Fluorine nitrate fno3  
1535 ClONO2 Chlorine nitrate clono2  
1536 BrONO2 Bromine nitrate brono2  
1537 TiCl4 Titanium tetrachloride ticl4  
1538 ClO4- perchlorate anion clo4-  
1539 BF4- tetrafluoroboron anion bf4-  
1540 ClFO3 Perchloryl fluoride clfo3  
1541 SO2F2 Sulfuryl fluoride so2f2  
1542 SO2Cl2 Sulfuryl chloride so2cl2  
1543 F3NO Nitrogen trifluoride oxide f3no  
1544 F3PO Phosphoryl fluoride pf3o  
1545 Cl3PO Phosphoryl chloride pcl3o  
1546 CF4 Carbon tetrafluoride cf4  
1547 CF3Cl Methane, chlorotrifluoro- cf3cl  
1548 SiF4 Silicon tetrafluoride sif4  
1549 CF2Cl2 difluorodichloromethane cf2cl2  
1550 TiF4 Titanium tetrafluoride tif4  
1551 CFCl3 Trichloromonofluoromethane cfcl3  
1552 GeF4 Germanium tetrafluoride gef4  
1553 CCl4 Carbon tetrachloride ccl4  
1554 CCl4+ Carbon tetrachloride cation ccl4+  
1555 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1556 SiCl4 Silane, tetrachloro- sicl4  
1557 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1558 CF3I trifluoroiodomethane cf3i  
1559 CBrCl3 Methane, bromotrichloro- cbrcl3  
1560 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1561 GeCl4 Germanium Tetrachloride gecl4  
1562 CBr2Cl2 dibromodichloromethane cbr2cl2  
1563 CFBr3 fluorotribromomethane cfbr3  
1564 CBr3Cl tribromochloromethane cbr3cl  
1565 SiBr4 Silicon tetrabromide sibr4  
1566 CBr3I tribromoiododmethane cbr3i  
1567 ClOF3 Chlorine trifluoride oxide clof3  
1568 SF4 Sulfur tetrafluoride sf4  
1569 SeF4 Selenium tetrafluoride sef4  
1570 SCl4 Sulfur tetrachloride scl4  
1571 C2HF3 Trifluoroethylene c2hf3  
1572 C2HF3+ Trifluoroethylene cation c2hf3+  
1573 CHClCCl2 Trichloroethylene chclccl2  
1574 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1575 HClO4 perchloric acid hclo4  
1576 HSO3F Fluorosulfonic acid hso3f  
1577 CF3OH trifluoromethanol cf3oh  
1578 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1579 CHClCCHCl 1,3-dichloroallene chclcchcl  
1580 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1581 CHCl2CHO dichloroacetaldehyde chcl2cho  
1582 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1583 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1584 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1585 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1586 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1587 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1588 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1589 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1590 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1591 NH3BCl3 Amminetrichloroboron nh3bcl3  
1592 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1593 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1594 C3H5ClO Oxirane, (chloromethyl)- c106898  
1595 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1596 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1597 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1598 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1599 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1600 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1601 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1602 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1603 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1604 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1605 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1606 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1607 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1608 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1609 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1610 C4H9F 1-fluorobutane butaf1  
1611 CH3CHFCH2CH3 2-fluorobutane butaf2  
1612 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1613 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1614 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1615 C2H2N2O Furazan furazan  
1616 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1617 NH3BF3 Amminetrifluoroboron nh3bf3  
1618 C6H2 hexatriyne c6h2  
1619 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1620 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1621 C6H4 Benzyne benzyne  
1622 C6H5 phenyl phenyl  
1623 C6H5- phenyl anion phenyl-  
1624 C6H6 Prismane prismane  
1625 C6H6 1,2,4,5-Hexatetraene ht1245  
1626 C6H6 2,4-Hexadiyne hexadiyne  
1627 C6H6 3,4-Dimethylenecyclobutene cb34m  
1628 C6H6 Benzene benzene  
1629 C6H6 Benzvalene bv  
1630 C6H6 Dewar Benzene dewar  
1631 C6H6 Hexa-1,5-diene-3-yne hdy153  
1632 C6H6 Trimethylenecycopropane tmcp  
1633 C6H6+ Benzene cation c6h6+  
1634 C6H7+ benzene, protonated c6h7+  
1635 C6H8 (E)-hexa-1,3,5-triene c821078  
1636 C6H8 (E)-hexa-2,3,4-triene c59660650  
1637 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1638 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1639 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1640 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1641 C6H8 3-Methylenecyclopentene c930267  
1642 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1643 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1644 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1645 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1646 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1647 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1648 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1649 C6H10 1,5-Hexadiene c592427  
1650 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1651 C6H10 1-Hexyne hexyne1  
1652 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1653 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1654 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1655 C6H10 2-Hexyne c764352  
1656 C6H10 3-Hexyne hexyne3  
1657 C6H10 cyclohexene cyclohexene  
1658 C6H10 Cyclopentene, 1-methyl- c693890  
1659 C6H10 Cyclopentene, 3-methyl- c1120623  
1660 C6H10 Cyclopentene, 4-methyl- c1759815  
1661 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1662 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1663 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1664 C6H12 (E)-2-Hexene e2hexene  
1665 C6H12 (E)-3-methylpent-2-ene c616126  
1666 C6H12 (E)-hex-3-ene e3hexene  
1667 C6H12 (Z)-3-methylpent-2-ene c922623  
1668 C6H12 (Z)-hex-2-ene z2hexene  
1669 C6H12 (Z)-hex-3-ene z3hexene  
1670 C6H12 2,3-dimethylbut-1-ene c563780  
1671 C6H12 2,3-dimethyl-but-2-ene tmeet  
1672 C6H12 3-methylenepentane c760214  
1673 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1674 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1675 C6H12 Cyclohexane cyclohexane  
1676 C6H12 Cyclopentane, methyl- c96377  
1677 C6H12 Ethylcyclobutane c4806615  
1678 C6H12 hex-1-ene hexene1  
1679 C6H14 Butane, 2,2-dimethyl- buta22  
1680 C6H14 Butane, 2,3-dimethyl- buta23  
1681 C6H14 Hexane hexane  
1682 C6H14 Pentane, 2-methyl- penta2  
1683 C6H14 Pentane, 3-methyl- penta3  
1684 C4N2 2-Butynedinitrile c4n2  
1685 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1686 C4H2N2 Fumaronitrile c4h2n2  
1687 C2H2N4 sym-tetrazine ttz  
1688 C3H3N3 1,3,5-Triazine triazine135  
1689 CH3N5 5-Aminotetrazole c4418615  
1690 C4H4N2 1,3-Diazine diazine13  
1691 C4H4N2 Pyrazine pyrazine  
1692 C4H4N2 Pyridazine pyridazine  
1693 C4H4N2 Succinonitrile c110612  
1694 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1695 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1696 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1697 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1698 C5H5N E-2,4-pentadienenitrile bdcn  
1699 C5H5N Pyridine pyridine  
1700 B3N3H6 borazine borazine  
1701 C6H6 Fulvene fulvene  
1702 C5H6N+ Pyridinium c5h6n  
1703 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1704 C5H7N (E)-2-Pentenenitrile c26294984  
1705 C5H7N (E)-3-Pentenenitrile c16529661  
1706 C5H7N (Z)-2-Pentenenitrile c25899507  
1707 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1708 C5H7N Cyclobutanecarbonitrile c4426113  
1709 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1710 C5H9N Butanenitrile, 2-methyl- c18936179  
1711 C5H9N Pentanenitrile c110598  
1712 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1713 C6H10 Bicyclo[3.1.0]hexane c285585  
1714 C5H11N Cyclopentanamine cypentam  
1715 C5H11N Piperidine piper  
1716 C4H12N2 1,2-Butanediamine c4426486  
1717 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1718 Li2CO3 Lithium Carbonate li2co3  
1719 Na2CO3 Sodium Carbonate na2co3  
1720 C2O4-- oxalate anion c2o4  
1721 MgSO4 Magnesium Sulfate mgso4  
1722 N2O4 Dinitrogen tetroxide n2o4  
1723 C3H2O3 vinylene carbonate vica  
1724 C2H2O4 Oxalic Acid oxalic  
1725 C2H3NO3 Oxamic acid oxamic  
1726 C4H4O2 2(5H)-Furanone furanone  
1727 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1728 C2H4N2O2 Oxalamide oxalamide  
1729 C2H4N2S2 Ethanedithioamide c79403  
1730 C2H4CO3 Ethylene carbonate etco3  
1731 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1732 C3H4S3 1,3-Dithiolane-2-thione c822388  
1733 C2H4O4 Formic acid dimer fadimer  
1734 C4H5NO 3-Methylisoxazole isox3m  
1735 C4H5NO Isoxazole, 5-methyl- c5765446  
1736 C4H5NS 4-Methylthiazole c693958  
1737 C2H5NO3 Nitric acid, ethyl ester c625581  
1738 C5H6O 2H-Pyran pyran2  
1739 C5H6O 2-methylfuran furan2m  
1740 C5H6O 3-Methylfuran furan3m  
1741 C5H6O Pentadienal pdal  
1742 C5H6S Thiophene, 2-methyl- c554143  
1743 C5H6S Thiophene, 3-methyl- c616444  
1744 C4H6O2 γ–Butyrolactone c96480  
1745 C4H6O2 2,3-Butanedione c431038  
1746 C4H6O2 2-Propenoic acid, methyl ester c96333  
1747 C4H6O2 Crotonic Acid crot  
1748 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1749 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1750 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1751 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1752 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1753 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1754 C4H6OS Vinyl sulfoxide c1115157  
1755 CH6N4S Carbonothioic dihydrazide thiacarb  
1756 C2H6N2O2 (E)-Azodioxymethane c37765154  
1757 C2H6N2O2 Dimethylnitroamine c4164287  
1758 C3H6O3 1,3,5-Trioxane trioxane  
1759 C3H6S3 1,3,5-Trithiane c3h6s3  
1760 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1761 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1762 C4H7NO 2-Pyrrolidinone c616455  
1763 C4H7NO Ethoxyacetonitrile etoaccn  
1764 C4H7NO Methacrylamide c79390  
1765 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1766 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1767 C3H7ONO Propyl nitrite prono  
1768 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1769 CH3CH(NH2)COOH Alanine alanine  
1770 CH3NHCH2COOH Sarcosine sarcosine  
1771 NH2CH2CH2COOH β–alanine betaalanine  
1772 NH2COOC2H5 Urethane urethane  
1773 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1774 C5H8O Cyclopentanone c120923  
1775 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1776 C5H8O Methyl cyclopropyl ketone c765435  
1777 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1778 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1779 NH2CONHC2H5 Urea, ethyl- c625525  
1780 C4H8O2 1,3-Dioxane dioxan13  
1781 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1782 C4H8O2 1,4-Dioxane dioxan14  
1783 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1784 C4H8O2 Ethyl acetate c141786  
1785 C4H8OS s-Ethyl thioacetate c625605  
1786 C3H8O3 1,2,3-Propanetriol glycerin  
1787 C3H8O2S (Methylsulfonyl)ethane c594434  
1788 C4H9NO Butanamide c541355  
1789 C4H9NO Propanamide, 2-methyl- c563837  
1790 C5H10O 2-Butanone, 3-methyl- c563804  
1791 C5H10O 2H-Pyran, tetrahydro- c142687  
1792 C5H10O 2-methylbutyraldehyde 2meba  
1793 C5H10O 2-Pentanone mpk  
1794 C5H10O 3-Pentanone dek  
1795 C5H10O Cyclopentanol c96413  
1796 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1797 C5H10O Pentanal pal  
1798 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1799 C5H10S 3-Ethylthio-1-propene c5296628  
1800 C5H10S Cyclopentanethiol c1679078  
1801 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1802 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1803 C4H10O2 1,1-Dimethoxyethane c534156  
1804 C4H10O2 1,3-Butanediol budiol13  
1805 C4H10O2 1,4-Butanediol budiol14  
1806 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1807 C4H10OS Diethyl sulfoxide c70291  
1808 C4H10S2 1,4-Butanedithiol budisl14  
1809 C4H11NO Diethylhydroxylamine c3710847  
1810 C5H12O 1-Butanol, 2-methyl- c137326  
1811 C5H12O 1-Butanol, 3-methyl- c123513  
1812 C5H12O 1-Pentanol pentanol1  
1813 C5H12O 2-Butanol, 3-methyl- c598754  
1814 C5H12O 2-Pentanol peol2  
1815 C5H12O 3-Pentanol pentan3ol  
1816 C5H12O Butane, 1-methoxy- meobu  
1817 C5H12O Propane, 1-ethoxy- proet  
1818 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1819 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1820 C5H12S 1-Butanethiol, 3-methyl- c541311  
1821 C5H12S 1-Pentanethiol c110667  
1822 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1823 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1824 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1825 C5H12S Butane, 1-(methylthio)- c628295  
1826 C5H12S Ethyl propyl sulfide c4110503  
1827 C5H12S Propane, 2-(ethylthio)- c5145993  
1828 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1829 C4F2 difluorobutadiyne c4f2  
1830 ClCOClCO Oxalyl chloride oxcl  
1831 CF3CN Acetonitrile, trifluoro- cf3cn  
1832 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1833 B2F4 Diboron tetrafluoride b2f4  
1834 B2Cl4 Diboron tetrachloride b2cl4  
1835 C2F4 Tetrafluoroethylene c2f4  
1836 C2F4+ Tetrafluoroethylene cation c2f4+  
1837 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1838 CF2CCl2 difluorodichloroethylene cf2ccl2  
1839 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1840 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1841 C2FCl3 fluorotrichloroethene c2fcl3  
1842 C2Cl4 Tetrachloroethylene c2cl4  
1843 CF3OF Trifluoromethylhypofluorite cf3of  
1844 SiF5- silicon pentafluoride anion sif5-  
1845 SOF4 Sulfur tetrafluoride oxide sof4  
1846 PF5 Phosphorus pentafluoride pf5  
1847 AsF5 Arsenic pentafluoride asf5  
1848 PCl5 Phosphorus pentachloride pcl5  
1849 SF5 Sulfur pentafluoride sf5  
1850 SF5+ pentafluoro sulfur cation sf5+  
1851 SbCl5 Antimony pentachloride sbcl5  
1852 BrF5 bromine pentafluoride brf5  
1853 ClF5 chlorinepentafluoride clf5  
1854 CF3CHO trifluoroacetaldehyde cf3cho  
1855 CCl3CHO trichloroacetaldehyde ccl3cho  
1856 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1857 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1858 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1859 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1860 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1861 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1862 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1863 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1864 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1865 CF3COOH trifluoroacetic acid cf3cooh  
1866 C4H3ClO Furan, 2-chloro fur2cl  
1867 C4H3ClO Furan,3-chloro fur3cl  
1868 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1869 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1870 C4H8Cl2 1,4-Dichlorobutane c110565  
1871 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1872 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1873 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1874 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1875 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1876 C5H11Cl Pentane, 1-chloro- pencl1  
1877 C4H8O2 Butanoic acid bua  
1878 C6H5CH2 benzyl radical benzyl  
1879 C7H7 cycloheptatrienyl radical c7h7  
1880 C7H7+ cycloheptatrienyl cation c7h7+  
1881 C6H5CH3 toluene toluene  
1882 C7H8 cycloheptatriene cht  
1883 C7H8 Norbornadiene norbor  
1884 C7H8 Quadricyclane qucy  
1885 C7H12 Norbornane nor  
1886 C7H14 cycloheptane c7h14  
1887 C7H16 2-methylhexane 2mhex  
1888 C7H16 3-methylhexane hex3m  
1889 C7H16 heptane heptane  
1890 CH(CN)3 tricyanomethane mecn3  
1891 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1892 C6H7N 2-Methylpyridine mp  
1893 C6H5NH2 aniline aniline  
1894 C6H13N 2-Methylpiperidine pip2m  
1895 C6H13N cyclohexanamine cham  
1896 C6H15N triethylamine tea  
1897 N2O5 Dinitrogen pentoxide n2o5  
1898 C4H2O3 Maleic Anhydride malan  
1899 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1900 C5H4O2 furfural furfural  
1901 C6H5O phenoxy radical phenoxy  
1902 C5H5NO 2(1H)-Pyridinone c72762006  
1903 C5H5NO 2(3H)-Pyridinone c9000048  
1904 C5H5NO 2(5H)-Pyridinone c9000037  
1905 C5H5NO 2-Pyridinol c109104  
1906 C5H5NO 3(2H)-Pyridinone c9000004  
1907 C5H5NO 3(4H)-Pyridinone c9000026  
1908 C5H5NO 3(6H)-Pyridinone c9000015  
1909 C5H5NO 3-Pyridinol c109002  
1910 C5H5NO 4(1H)-Pryidinone c9000060  
1911 C5H5NO 4(3H)-Pryidinone c9000059  
1912 C5H5NO 4-Pyridinol c626642  
1913 C6H5OH phenol phenol  
1914 C6H6O 2,4-Cyclohexadienone c24599573  
1915 C6H6O 2,5-Cyclohexadienone c5664335  
1916 C6H5SH Benzenethiol phsh  
1917 HO2CCHNH2CH2OH Serine serine  
1918 C5H8O2 Acetylacetone acac  
1919 C4H8O2S Sulfolane sulfolane  
1920 C7H10 Norbornene norbornene  
1921 CH(C2H3)3 trivinyl methane tvm  
1922 C6H10O cyclohexanone chexo  
1923 C6H12O hexanal c6h12o  
1924 C6H12O Oxepane oxepane  
1925 C3H7OC3H7 di-n-propyl ether propr  
1926 F2CCCF2 tetrafluoroallene pfa  
1927 CF3COO- trifluoro acetate anion cf3coo-  
1928 CF3COF trifluoroacetyl fluoride cf3cof  
1929 CF3COCl trifluoroacetyl chloride cf3cocl  
1930 PF6 Hexafluorophosphate neutral pf6  
1931 PF6- Hexafluorophosphate ion pf6-  
1932 SF6 Sulfur Hexafluoride sf6  
1933 SeF6 Selenium hexafluoride sef6  
1934 SF5Cl sulfur chloropentafluoride sf5cl  
1935 CF3CHF2 pentafluoroethane cf3chf2  
1936 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1937 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1938 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1939 CCl3CHCl2 pentachloroethane ccl3chcl2  
1940 C6H5F Fluorobenzene bzf  
1941 C6H5Cl chlorobenzene bzcl  
1942 C6H5Br bromobenzene bzbr  
1943 C8H6 Calicene calicene  
1944 C6H5CCH phenylacetylene phac  
1945 C8H6 benzocyclobutadiene bcbd  
1946 C8H6 Pentalene pentalene  
1947 C6H5CHCH2 Styrene styrene  
1948 C8H8 cubane cubane  
1949 C8H8 cyclooctatetraene cot  
1950 C6H5CH2CH3 Ethylbenzene etbz  
1951 CH3C6H4CH3 meta-xylene mxylene  
1952 CH3C6H4CH3 paraxylene pxylene  
1953 C8H14 Bicyclo[2.2.2]octane bico222  
1954 C8H16 cyclooctane cyclooct  
1955 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1956 C8H18 Octane c8h18  
1957 C6H5CN phenyl cyanide phcn  
1958 C6H12N2 Triethylenediamine ted  
1959 C4O4-- squarate dianion c4o4--  
1960 S4N4 Tetrasulfur tetranitride s4n4  
1961 S8 Octasulfur s8  
1962 C6H4O2 parabenzoquinone pbq  
1963 C4H4N2O2 Uracil uracil  
1964 C6H5CHO benzaldehyde benzal  
1965 C6H5OCH3 Anisole anisole  
1966 C5H9NO2 Proline proline  
1967 C6H12O2 Methyl pivalate c598981  
1968 C6H12O2 Hexanoic acid hexa  
1969 C4F4 tetrafluorcyclobutadiene c4f4  
1970 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1971 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1972 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1973 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1974 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1975 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1976 C2F6 hexafluoroethane c2f6  
1977 C2Cl6 hexachloroethane c2cl6  
1978 IF7 Iodine heptafluoride if7  
1979 C6H4F2 metadifluorobenzene mdfb  
1980 C6H4F2 orthodifluorobenzene odfb  
1981 C6H4F2 1,4-difluorobenzene pdfb  
1982 C6H4Cl2 1,2-dichlorobenzene dcb12  
1983 C6H4Cl2 1,3-dichlorobenzene dcb13  
1984 C6H4Cl2 1,4-dichlorobenzene dcb14  
1985 C6H5NO nitrosobenzene bzno  
1986 C9H8 Indene indene  
1987 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1988 C9H12 n-propyl benzene prbz  
1989 C9H20 Nonane nonane  
1990 C(CN)4 tetracyanomethane c5n4  
1991 C5H4N4 purine purine  
1992 C8H7N Indole indole  
1993 C3H3N3O3 cyanuric acid cyanuric  
1994 C6H5NO2 Nitrobenzene c6h5no2  
1995 C6H5COOH benzoic acid benzo  
1996 CH3COC6H5 acetophenone acph  
1997 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1998 C3F6 hexafluoropropene c3f6  
1999 C6H3F3 Benzene trifluoride 123 bzf3a  
2000 C8H18O 1-Octanol octanol  
2001 C10H8 Azulene azu  
2002 C10H8 naphthalene naph  
2003 C10H10 bullvalene bullv  
2004 C10H16 adamantane adamantane  
2005 C6N4 Tetracyanoethylene tcne  
2006 C6N4- tetracyanoethylene anion tcne-  
2007 C10H22 Decane decane  
2008 C4F6 perfluorobutadiene c4f6  
2009 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2010 C3F8 perfluoropropane c3f8  
2011 Fe(CO)5 Iron pentacarbonyl ipc  
2012 Fe(C5H5)2 ferrocene fecp2  
2013 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2014 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2015 C12H8 Acenaphthylene acenaph  
2016 C12H8 biphenylene biph  
2017 C12H10 biphenyl biphenyl  
2018 C12H10 Heptalene heptalene  
2019 C6H12O6 Inositol inositol  
2020 C6F6 hexafluorobenzene c6f6  
2021 S2F10 disulphur decafluoride s2f10  
2022 C13H10 Fluorene fluorene  
2023 C14H10 Anthracene anth  
2024 C14H10 Phenanthrene phenanthrene  
2025 C14H14 Bibenzyl bibenzyl  
2026 C12H10N2 azobenzene azobenzene  
2027 C6H5COC6H5 benzophenone benzophenone  
2028 C16H10 Pyrene pyrene  
2029 C18H12 Tetracene tetracene  
2030 C19H16 Triphenylmethane tpm  
2031 C24H12 Coronene coronene  
2032 C60 Buckminsterfullerene c60