return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at QCISD(T) /6-31G**

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 H2- hydrogen diatomic anion 2Σu+D∞h
7 HD Deuterium hydride 1ΣgD∞h
8 He Helium atom 1SKh
9 Li Lithium atom 2SKh
10 Na Sodium atom 2SKh
11 K Potassium atom 2SKh
12 Cu Copper atom 2SKh
13 LiH Lithium Hydride 1ΣC∞v
14 NaH sodium hydride 1ΣC∞v
15 Be Beryllium atom 1SKh
16 Be+ Beryllium atom cation 2SKh
17 Mg Magnesium atom 1SKh
18 Mg+ Magnesium atom cation 2SKh
19 Zn Zinc atom 1SKh
20 BeH beryllium monohydride 2ΣC∞v
21 MgH magnesium monohydride 2ΣC∞v
22 CaH Calcium monohydride 2ΣC∞v
23 BeH2 beryllium dihydride 1ΣgD∞h
24 MgH2 magnesium dihydride 1ΣgD∞h
25 B Boron atom 2PKh
26 B Boron atom 4PKh
27 B+ Boron atom cation 1SKh
28 Al Aluminum atom 2PKh
29 Al+ Aluminum atom cation 1SKh
30 BH Boron monohydride 1ΣC∞v
31 AlH aluminum monohydride 1ΣC∞v
32 BH2 boron dihydride 2A1C2v
33 AlH2 aluminum dihydride 2A1C2v
34 BH3 boron trihydride 1A1'D3h
35 AlH3 aluminum trihydride 1A1'D3h
36 C Carbon atom 3P0Kh
37 C Carbon atom 3P1Kh
38 C+ Carbon atom cation 2PKh
39 Si Silicon atom 3PKh
40 Si Silicon atom 1SKh
41 Si+ Silicon atom cation 2PKh
42 CH Methylidyne 2Π1/2C∞v
43 SiH Silylidyne 2ΠC∞v
44 CH2 Methylene 3B1C2v
45 SiH2 silicon dihydride 1A1C2v
46 SiH2 silicon dihydride 3B1C2v
47 CH3 Methyl radical 2A1D3h
48 SiH3 Silyl radical 2A1C3v
49 CH4 Methane 1A1Td
50 SiH4 Silane 1A1Td
51 N Nitrogen atom 4SKh
52 N+ Nitrogen atom cation 3PKh
53 P Phosphorus atom 4SKh
54 NH Imidogen 3Σ-C∞v
55 PH phosphorus monohydride 3Σ-C∞v
56 ND2 Amidogen-d2 2B1C2v
57 NH2 Amino radical 2B1C2v
58 PH2 Phosphino radical 2B1C2v
59 AsH2 Arsenic dihydride 2A1C2v
60 ND3 Ammonia-d3 1A1C3v
61 NH3 Ammonia 1A1C3v
62 PH3 Phosphine 1A1C3v
63 AsH3 Arsine 1A1C3v
64 AsH3+ Arsine cation 2A1C3v
65 O Oxygen atom 3SKh
66 O+ Oxygen atom cation 4SKh
67 S Sulfur atom 3PKh
68 DO Hydroxyl-d 2ΠC∞v
69 OH Hydroxyl radical 2ΠC∞v
70 DS Mercapto-d 2ΠC∞v
71 HS Mercapto radical 2ΠC∞v
72 D2O Deuterium oxide 1A1C2v
73 H2O Water 1A1C2v
74 HDO Water-d1 1A1C2v
75 D2S Hydrogen sulfide-d2 1A1C2v
76 H2S Hydrogen sulfide 1A1C2v
77 F Fluorine atom 2PKh
78 F+ Fluorine atom cation 3SKh
79 Cl Chlorine atom 2PKh
80 Cl+ Chlorine atom cation 3PKh
81 Br Bromine atom 2PKh
82 DF Hydrofluoric acid-d 1ΣC∞v
83 HF Hydrogen fluoride 1ΣC∞v
84 DCl Hydrochloric acid-d 1ΣC∞v
85 HCl Hydrogen chloride 1ΣC∞v
86 Ne Neon atom 1SKh
87 Ne+ Neon atom cation 2PKh
88 Ar Argon atom 1SKh
89 NaLi lithium sodium 1ΣC∞v
90 Na2 Sodium diatomic 1ΣgD∞h
91 C2H2 Acetylene 1ΣgD∞h
92 CuCH3 monomethyl copper 1A1C3v
93 C2H4 Ethylene 1AgD2h
94 C2H6 Ethane 1A1gD3d
95 N2 Nitrogen diatomic 1ΣgD∞h
96 HCN Hydrogen cyanide 1ΣC∞v
97 N2H2 (E)-diazene 1AgC2h
98 CO Carbon monoxide 1ΣC∞v
99 CS carbon monosulfide 1ΣC∞v
100 NO Nitric oxide 2ΠC∞v
101 O2 Oxygen diatomic 3ΣgD∞h
102 NaOH sodium hydroxide 1ΣC∞v
103 HCS Thioformyl radical 2A'Cs
104 HO2 Hydroperoxy radical 2A"Cs
105 H2CO Formaldehyde 1A1C2v
106 CuF Copper monofluoride 1ΣC∞v
107 CuCl Copper monochloride 1ΣC∞v
108 BF Boron monofluoride 1ΣC∞v
109 F2 Fluorine diatomic 1ΣgD∞h
110 Cl2 Chlorine diatomic 1ΣgD∞h
111 HCF Fluoromethylene 3A"Cs
112 NH2Cl chloramine 1A'Cs
113 C3H5 Allyl radical 2A2C2v
114 C3H6 Cyclopropane 1A1'D3h
115 CH2CHCH3 Propene 1A'Cs
116 CO2 Carbon dioxide 1ΣgD∞h
117 SO2 Sulfur dioxide 1A1C2v
118 S3 Sulfur trimer 1A1C2v
119 HOCO Hydrocarboxyl radical 1A'cis
120 HOCO Hydrocarboxyl radical 1A'trans
121 CH3CO Acetyl radical 2A'Cs
122 As(CH3)3 trimethyl arsine 1A1C3v
123 BF3 Borane, trifluoro- 1A'D3h
124 AlF3 Aluminum trifluoride 1A1'D3h

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 H2+ Hydrogen cation h2+  
5 H3+ hydrogen trimer cation h3+  
6 He- Helium atom anion he-  
7 He+ Helium atom cation he+  
8 HeH Helium hydride heh  
9 HeH+ Helium hydride cation heh+  
10 He2+ helium diatomic cation he2+  
11 Li- Lithium atom anion li-  
12 Li+ Lithium atom cation li+  
13 Na- Sodium atom anion na-  
14 Na+ Sodium atom cation na+  
15 K- Potassium atom anion k-  
16 K+ Potassium atom cation k+  
17 Cu- Copper atom anion cu-  
18 Cu+ Copper atom cation cu+  
19 LiH- lithium hydride anion lih-  
20 LiH+ lithium hydride cation lih+  
21 NaH- sodium hydride anion nah-  
22 NaH+ sodium hydride cation nah+  
23 KH Potassium hydride kh  
24 KH+ Potassium hydrogen cation kh+  
25 CuH Copper monohydride cuh  
26 Be- Beryllium atom anion be-  
27 Mg- Magnesium atom anion mg-  
28 Ca Calcium atom ca  
29 Ca- Calcium atom anion ca-  
30 Ca+ Calcium atom cation ca+  
31 Zn- Zinc atom anion zn-  
32 Zn+ Zinc atom cation zn+  
33 BeH- berylium monohydride anion beh-  
34 BeH+ beryllium monohydride cation beh+  
35 MgH- magnesium monohydride anion mgh-  
36 MgH+ magnesium monohydride cation mgh+  
37 CaH+ Calcium monohydride cation cah+  
38 TiH Titanium monohydride tih  
39 ZnH Zinc monohydride znh  
40 ZnH+ Zinc, protonated znh+  
41 BeH2+ Beryllium dihydride cation beh2+  
42 CaH2 Calcium Hydride cah2  
43 ZnH2 Zinc hydride znh2  
44 B- Boron atom anion b-  
45 Al- Aluminum atom anion al-  
46 Sc Scandium atom sc  
47 Sc+ Scandium cation sc+  
48 Ga Gallium atom ga  
49 Ga- Gallium atom anion ga-  
50 Ga+ Gallium atom cation ga+  
51 BH- boron monohydride anion bh-  
52 BH+ boron monohydride cation bh+  
53 AlH- aluminum monohydride anion alh-  
54 AlH+ aluminum monohydride cation alh+  
55 ScH Scandium monohydride sch  
56 ScH+ Scandium monohydride cation sch+  
57 GaH Gallium monohydride gah  
58 GaH+ Gallium monohydride cation gah+  
59 BH2- boron dihydride anion bh2-  
60 BH2+ Boron dihydride cation bh2+  
61 AlH2- aluminum dihydride anion alh2-  
62 AlH2+ aluminum dihydride cation alh2+  
63 BH3- boron trihydride anion bh3-  
64 BH3+ boron trihydride cation bh3+  
65 AlH3- aluminum trihydride anion alh3-  
66 AlH3+ aluminum trihydride cation alh3+  
67 ScH3 Scandium trihydride sch3  
68 GaH3 Gallium trihydride gah3  
69 BH4 borohydride bh4  
70 BH4- borohydride anion bh4-  
71 AlH4- Aluminum tetrahydride anion alh4-  
72 C- Carbon atom anion c-  
73 Si- Silicon atom anion si-  
74 Ti Titanium atom ti  
75 Ti- Titanium atom anion ti-  
76 Ti+ Titanium atom cation ti+  
77 Ge Germanium atom ge  
78 Ge- Germanium anion ge-  
79 Ge+ Germanium cation ge+  
80 Sn Tin atom sn  
81 Sn+ Tin cation sn+  
82 CH- methylidyne anion ch-  
83 CH+ Methylidyne cation ch+  
84 SiH- silicon monohydride anion sih-  
85 SiH+ silicon monohydride cation sih+  
86 GeH germylidene geh  
87 GeH+ Germaniun monohyrdide cation geh+  
88 CH2- methylene anion ch2-  
89 CH2+ methylene cation ch2+  
90 SiH2- silicon dihydride anion sih2-  
91 SiH2+ silicon dihydride cation sih2+  
92 GeH2 germylene geh2  
93 GeH2- germylene anion geh2-  
94 CH3- methyl anion ch3-  
95 CH3+ methyl cation ch3+  
96 SiH3- Silyl anion sih3-  
97 SiH3+ Silyl cation sih3+  
98 GeH3 Germyl radical geh3  
99 GeH3+ germyl cation geh3+  
100 CD4 methane-d4 cd4  
101 CH2D2 methane-d2 ch2d2  
102 CH3D methane-d ch3d  
103 CH4- Methane anion ch4-  
104 CH4+ Methane cation ch4+  
105 CHD3 methane-d3 chd3  
106 SiH2D2 silane-d2 sih2d2  
107 SiH4+ Silane cation sih4+  
108 GeH4 Germane geh4  
109 SnH4 Stannane snh4  
110 SiH5+ Silane, protonated sih5+  
111 N- Nitrogen atom anion n-  
112 P- Phosphorus atom anion p-  
113 P+ Phosphorus atom cation p+  
114 V Vanadium atom v  
115 V+ Vanadium atom cation v+  
116 As Arsenic atomic as  
117 As- Arsenic anion as-  
118 As+ Arsenic cation as+  
119 Sb Antimony atom sb  
120 NH- Imidogen anion nh-  
121 NH+ imidogen cation nh+  
122 PH- phosphorus monohydride anion ph-  
123 PH+ phosphorus monohydride cation ph+  
124 AsH Arsenic monohydride ash  
125 AsH+ Arsenic monohydride cation ash+  
126 SbH Antimony monohydride sbh  
127 NH2+ Amino cation nh2+  
128 PH2- Phosphino anion ph2-  
129 PH2+ Phosphino cation ph2+  
130 AsH2+ Arsenic dihydride cation ash2+  
131 NH3- Ammonia anion nh3-  
132 NH3+ ammonia cation nh3+  
133 PH3+ Phosphine cation ph3+  
134 SbH3 Stibine sbh3  
135 AsH4+ Arsonium ash4+  
136 NH4 Ammonium radical nh4  
137 NH4+ ammonium cation nh4+  
138 PH4 Phosphoranyl radical ph4  
139 PH4+ phosphonium cation ph4+  
140 O- Oxygen atom anion o-  
141 S- Sulfur atom anion s-  
142 S+ Sulfur atom cation s+  
143 Cr Chromium atom cr  
144 Se Selenium atom se  
145 Se- Selenium atom anion se-  
146 Se+ Selenium atom cation se+  
147 Te Tellurium atom te  
148 Te+ Tellurium atom cation te+  
149 OH- hydroxide anion oh-  
150 OH+ hydoxyl cation oh+  
151 HS- mercapto anion sh-  
152 HS+ sulfur monohydride cation sh+  
153 CrH Chromium hydride crh  
154 CrH+ Chromium hydride cation crh+  
155 HSe Selenium monohydride hse  
156 HSe- selenium monohydride anion hse-  
157 HSe+ selenium monohydride cation hse+  
158 TeH Telluryl radical teh  
159 H2O- water anion h2o-  
160 H2O+ water cation h2o+  
161 H2S- Hydrogen sulfide anion h2s-  
162 H2S+ Hydrogen sulfide cation h2s+  
163 H2Se Hydrogen selenide h2se  
164 H2Se+ Hydrogen selenide cation h2se+  
165 H2Te Hydrogen Telluride h2te  
166 H3O+ hydronium cation h3o+  
167 H3S+ Sulfonium cation h3s+  
168 H3Se+ Hydrogen Selenide, protonated h3se+  
169 F- Fluorine atom anion f-  
170 Cl- Chlorine atom anion cl-  
171 Mn Manganese atom mn  
172 Br- Bromine atom anion br-  
173 Br+ Bromine atom cation br+  
174 I Iodine atom iodine  
175 I- Iodine atom anion iodine-  
176 I+ Iodine atom cation iodine+  
177 HF- hydrogen fluoride anion hf-  
178 HF+ hydrogen fluoride cation hf+  
179 HCl- hydrogen chloride anion hcl-  
180 HCl+ hydrogen chloride cation hcl+  
181 HBr hydrogen bromide hbr  
182 HBr- hydrogen bromide anion hbr-  
183 HBr+ hydrogen bromide cation hbr+  
184 HI Hydrogen iodide hi  
185 HI+ Hydrogen iodide cation hi+  
186 H2F+ dihydrogen fluoride cation h2f+  
187 H2Cl+ dihydrogen monochloride cation h2cl+  
188 H2Br+ protonated hydrogen bromide h2br+  
189 H2I+ Iodonium h2i+  
190 Ne- Neon atom anion ne-  
191 Ar- Argon atom anion ar-  
192 Ar+ Argon atom cation ar+  
193 Fe Iron atom fe  
194 Kr Krypton atom kr  
195 Kr+ Krypton cation kr+  
196 Xe Xenon atom xe  
197 HeLi+ Helium Lithium cation heli+  
198 NeH neon hydrogen neh  
199 NeH+ neon hydrogen cation neh+  
200 ArH+ Argon hydride cation arh+  
201 KrH+ Protonated Krypton krh+  
202 XeH+ Xenon, protonated xeh+  
203 H2Ar H2 Ar dimer h2ar  
204 Co Cobalt atom cobalt  
205 Ni Nickel atom ni  
206 Li2 Lithium diatomic li2  
207 Li2- lithium diatomic anion li2-  
208 Li2+ lithium diatomic cation li2+  
209 NaLi- lithium sodium anion lina-  
210 NaLi+ lithium sodium cation lina+  
211 LiK Lithium Potassium lik  
212 Na2- sodium diatomic anion na2-  
213 Na2+ sodium diatomic cation na2+  
214 NaK Sodium Potassium nak  
215 NaK+ Sodium Potassium diatomic cation nak+  
216 K2 Potassium diatomic k2  
217 Cu2 Copper diatomic cu2  
218 LiBe Lithium Beryllium libe  
219 LiMg Lithium magnesium limg  
220 NaBe Sodium Beryllium nabe  
221 NaMg Sodium Magnesium namg  
222 Be2 Beryllium diatomic be2  
223 Be2- Beryllium diatomic anion be2-  
224 Be2+ Beryllium diatomic cation be2+  
225 BeMg Beryllium Magnesium bemg  
226 Mg2 Magnesium diatomic mg2  
227 Mg2- magnesium diatomic anion mg2-  
228 Mg2+ magnesium diatomic cation mg2+  
229 Ca2 Calcium diatomic ca2  
230 LiB Lithium boride lib  
231 LiAl Lithium Aluminum lial  
232 NaAl Sodium aluminum naal  
233 BeB Beryllium monoboride beb  
234 B2 Boron diatomic b2  
235 B2- Boron diatomic anion b2-  
236 B2+ Boron diatomic cation b2+  
237 BAl Boron Aluminum bal  
238 Al2 Aluminum diatomic al2  
239 Al2- aluminum diatomic anion al2-  
240 Al2+ aluminum diatomic cation al2+  
241 BGa Boron Gallium bga  
242 AlGa Aluminum Gallium alga  
243 Ga2 Gallium diatomic ga2  
244 HBBH Diborane(2) hbbh  
245 LiBH4 Lithium borohydride libh4  
246 B2H4 Diborane(4) D2d b2h4  
247 HBHHBH Diborane(4) C2V hbhhbh  
248 B2H6 Diborane b2h6  
249 B2H6+ Diborane cation b2h6  
250 Al2H6 dialane al2h6  
251 Ga2H6 digallane ga2h6  
252 LiC Lithium Carbide lic  
253 BeC Beryllium Carbide bec  
254 CaC Calcium monocarbide cac  
255 BC boron monocarbide bc  
256 BC- boron monocarbide anion bc-  
257 BC+ boron monocarbide cation bc+  
258 AlC Aluminum carbide alc  
259 BSi Boron silicide bsi  
260 C2 Carbon diatomic c2  
261 C2- carbon diatomic anion c2-  
262 C2+ carbon diatomic cation c2+  
263 SiC silicon monocarbide sic  
264 SiC- silicon monocarbide anion sic-  
265 SiC+ silicon monocarbide cation sic+  
266 Si2 Silicon diatomic si2  
267 Si2- silcon diatomic anion si2-  
268 Si2+ silcon diatomic cation si2+  
269 GeC Germanium monocarbide gec  
270 SiGe Silicon Germanium sige  
271 Ge2 Germanium diatomic ge2  
272 C2H Ethynyl radical c2h  
273 C2H- Ethynyl anion c2h-  
274 C2H+ Ethynyl cation c2h+  
275 ZnCH2 Zinc methylene znch2  
276 C2H2+ acetylene cation c2h2+  
277 CCH2 vinylidene vinylidene  
278 H2CC- vinylidene anion h2cc-  
279 HCCH- acetylene anion c2h2-  
280 Si2H2 disilyne si2h2  
281 CH3Li methyl lithium ch3li  
282 ZnCH3 Zinc monomethyl znch3  
283 CH2BH methyleneborane ch2bh  
284 C2H3 vinyl c2h3  
285 C2H3- vinyl anion c2h3-  
286 C2H3+ vinyl cation c2h3+  
287 C2H4- Ethylene anion c2h4-  
288 C2H4+ Ethylene cation c2h4+  
289 CH3CH methylmethylene ch3ch  
290 CH2SiH2 silaethylene ch2sih2  
291 Si2H4 Disilene si2h4  
292 CH3BH2 methylborane ch3bh2  
293 C2H5 Ethyl radical c2h5  
294 C2H5- Ethyl anion c2h5-  
295 C2H5+ Ethyl cation c2h5+  
296 C2H6+ ethane cation c2h6+  
297 CH3SiH3 methyl silane ch3sih3  
298 Si2H6 disilane si2h6  
299 GeH3CH3 methyl germane geh3ch3  
300 C2H7+ Ethane, protonated c2h7+  
301 LiN Lithium Nitride lin  
302 LiN+ Lithium Nitride cation lin+  
303 LiP Lithium monophosphide lip  
304 BeN Beryllium mononitride ben  
305 BeN- Beryllium mononitride anion ben-  
306 BeN+ Beryllium mononitride cation ben+  
307 MgN Magnesium Nitride mgn  
308 BN- boron nitride anion bn-  
309 AlN- aluminum mononitride anion aln-  
310 AlN+ aluminum mononitride cation aln+  
311 BP Boron monophosphide bp  
312 AlP Aluminum monophosphide alp  
313 GaN Gallium mononitride gan  
314 GaP Gallium monophosphide gap  
315 GaAs Gallium arsenide gaas  
316 BN boron nitride bn  
317 BN+ boron nitride cation bn+  
318 AlN Aluminum nitride aln  
319 CN Cyano radical cn  
320 CN- cyanide anion cn-  
321 CN+ Cyano cation cn+  
322 CP Carbon monophosphide cp  
323 CP- carbon monophosphide anion cp-  
324 CP+ carbon monophosphide cation cp+  
325 SiN Silicon nitride sin  
326 SiN- silicon mononitride anion sin-  
327 SiN+ silicon mononitride cation sin+  
328 SiP Silicon monophosphide sip  
329 SiP- Silicon monophosphide anion sip-  
330 SiP+ Silicon monophosphide cation sip+  
331 TiN Titanium mononitride tin  
332 N2- nitrogen diatomic anion n2-  
333 N2+ diatomic nitrogen cation n2+  
334 PN Phosphorus mononitride pn  
335 PN- phosphorus nitride anion pn-  
336 PN+ phosphorus nitride cation pn+  
337 P2 Phosphorus diatomic p2  
338 P2- phosphorus diatomic anion p2-  
339 P2+ phosphorus diatomic cation p2+  
340 AsN Arsenic mononitride asn  
341 AsP Arsenic monophosphide asp  
342 SbN Antimony nitride sbn  
343 As2 Arsenic diatomic as2  
344 HNB hydrogen nitrogen boron hnb  
345 HNC hydrogen isocyanide hnc  
346 HCN- Hydrogen cyanide anion hcn-  
347 HCN+ hydrogen cyanide cation hcn+  
348 HNC+ hydrogen isocyanide cation hnc+  
349 HCP Phosphaethyne hcp  
350 HCP+ Phosphaethyne cation hcp+  
351 NNH Dinitrogen monohydride nnh  
352 NNH+ Dinitrogen monohydride cation nnh+  
353 HPO Hydrogen phosphorus oxide hpo  
354 HPO+ Hydrogen phosphorus oxide cation hpo+  
355 LiNH2 lithium amide linh2  
356 HBNH Boranimine hbnh  
357 CNH2 Aminomethylidyne radical cnh2  
358 CNH2+ N-protonated hydrogen isocyanide cnh2+  
359 H2CN Dihydrogen cyanide radical h2cn  
360 H2CN+ hydrocyanonium cation h2cn+  
361 HCNH methyleneazane hcnh  
362 HCNH+ N-protonated HCN hcnh+  
363 H2NN Isodiazene h2nn  
364 N2H2 (Z)-Diazene n2h2z  
365 N2H2+ trans-diazene cation n2h2+  
366 CH2NH Methanimine ch3n  
367 CH2NH+ Methanimine cation ch2nh+  
368 CHNH2 aminomethylene chnh2  
369 CHNH2+ Aminocarbene cation chnh2+  
370 CH2PH Phosphaethene ch3p  
371 BH2NH2 Boranamine bh2nh2  
372 CH2NH2+ methyleneamine cation ch2nh2+  
373 N2H4 Hydrazine n2h4  
374 N2H4+ hydrazine cation n2h4+  
375 P2H4 Diphosphine p2h4  
376 CH3NH2 methyl amine ch3nh2  
377 CH3NH2+ methyl amine cation ch3nh2+  
378 CH3PH2 Methyl phosphine ch3ph2  
379 SiH3NH2 Silane, amino sih3nh2  
380 N2H5+ protonated hydrazine n2h5+  
381 BH3PH3 borane phosphine bh3ph3  
382 BH3NH3 borane ammonia bh3nh3  
383 CH3NH3 methyl ammonium radical ch3nh3  
384 CH3NH3+ protonated methylamine ch3nh3+  
385 CH3PH3+ methyl phosphine, protonated ch3ph3+  
386 NH3NH3 Ammonia Dimer nh3nh3  
387 N2H7+ ammonia ammonium dimer n2h7+  
388 LiO lithium oxide lio  
389 LiO- lithium oxide anion lio-  
390 LiO+ lithium oxide cation lio+  
391 LiS Lithium monosulfide lis  
392 LiS+ Lithium sulfide cation lis+  
393 NaO sodium monoxide nao  
394 NaO- sodium oxide anion nao-  
395 NaO+ sodium oxide cation nao+  
396 KO Potassium monoxide ko  
397 KO+ Potassium monoxide cation ko+  
398 NaS Sodium sulfide nas  
399 CuO Copper Monoxide cuo  
400 LiSe Lithium monoselenide lise  
401 BeO beryllium oxide beo  
402 BeO- Beryllium monoxide anion beo-  
403 BeO+ Beryllium monoxide cation beo+  
404 BeS beryllium sulfide bes  
405 MgO magnesium oxide mgo  
406 MgO- magnesium oxide anion mgo-  
407 MgO+ magnesium oxide cation mgo+  
408 CaO Calcium monoxide cao  
409 MgS magnesium sulfide mgs  
410 MgS- magnesium sulfide anion mgs-  
411 MgS+ magnesium sulfide cation mgs+  
412 CaS Calcium sulfide cas  
413 ZnO zinc monoxide zno  
414 ZnS Zinc sulfide zns  
415 BeS- Beryllium monosulfide anion bes-  
416 BeS+ Beryllium monosulfide cation bes+  
417 BO boron monoxide bo  
418 BO- boron monoxide anion bo-  
419 AlO Aluminum monoxide alo  
420 AlO- Aluminum monoxide anion alo-  
421 AlO+ aluminum monoxide cation alo+  
422 BS boron sulfide bs  
423 BS- boron monosulfide anion bs-  
424 BS+ boron monosulfide cation bs+  
425 AlS Aluminum sulfide als  
426 AlS- aluminum monosulfide anion als-  
427 AlS+ aluminum monosulfide cation als+  
428 ScO Scandium monoxide sco  
429 GaO Gallium monoxide gao  
430 GaS Gallium monosulfide gas  
431 BO+ boron monoxide cation bo+  
432 CO- carbon monoxide anion co-  
433 CO+ carbon monoxide cation co+  
434 CS- carbon monosulfide anion cs-  
435 CS+ carbon monosulfide cation cs+  
436 SiO Silicon monoxide sio  
437 SiO- silicon monoxide anion sio-  
438 SiO+ silicon monoxide cation sio+  
439 SiS silicon monosulfide sis  
440 SiS- silicon monosulfide anion sis-  
441 SiS+ silicon monosulfide cation sis+  
442 TiO Titanium monoxide tio  
443 CSe Carbon monoselenide cse  
444 CSe- Carbon monoselenide anion cse-  
445 CSe+ Carbon monoselenide cation cse+  
446 GeO Germanium monoxide geo  
447 GeO+ Germanium monoxide cation geo+  
448 GeS Germanium monosulfide ges  
449 SiSe Silicon Monoselenide sise  
450 SiSe+ Silicon Monoselenide cation sise+  
451 GeSe Germanium monoselenide gese  
452 NO- nitric oxide anion no-  
453 NO+ nitric oxide cation no+  
454 NS Mononitrogen monosulfide ns  
455 NS- nitrogen sulfide anion ns-  
456 NS+ nitrogen sulfide cation ns+  
457 PO Phosphorus monoxide po  
458 PO- phosphorus monoxide anion po-  
459 PO+ phosphorus monoxide cation po+  
460 PS phosphorus sulfide ps  
461 PS- phosphorus monosulfide anion ps-  
462 PS+ phosphorus monosulfide cation ps+  
463 VO Vanadium monoxide vo  
464 AsO Arsenic monoxide aso  
465 NSe Nitrogen monoselenide nse  
466 AsS Arsenic monosulfide ass  
467 PSe Phosphorus monoselenide pse  
468 AsSe Arsenic monoselenide asse  
469 O2- oxygen diatomic anion o2-  
470 O2-- dioxygen dianion o2--  
471 O2+ diatomic oxygen cation o2+  
472 SO Sulfur monoxide so  
473 SO- sulfur monoxide anion so-  
474 SO+ sulfur monoxide cation so+  
475 S2 Sulfur diatomic s2  
476 S2- sulfur diatomic anion s2-  
477 S2+ sulfur diatomic cation s2+  
478 SeO Selenium monoxide seo  
479 SeO- selenium monoxide anion seo-  
480 SeO+ selenium monoxide cation seo+  
481 SeS Selenium monosulfide ses  
482 SeS- selenium monosulfide anion ses-  
483 SeS+ selenium monosulfide cation ses+  
484 TeO Tellurium monoxide teo  
485 Se2 Selenium diatomic se2  
486 Se2- selenium diatomic anion se2-  
487 Se2+ selenium diatomic cation se2+  
488 Te2 Tellurium diatomic te2  
489 LiOH lithium hydroxide lioh  
490 KOH Potassium hydroxide koh  
491 BeOH beryllium monohydroxide beoh  
492 MgOH magnesium hydroxide mgoh  
493 CaOH Calcium monohydroxide caoh  
494 HBO Boron hydride oxide hbo  
495 HBS hydrogen boron sulfide hbs  
496 COH Hydroxymethylidyne coh  
497 COH+ Carbon Monoxide, protonated coh+  
498 HCO Formyl radical hco  
499 HCO- formyl anion hco-  
500 HCO+ Formyl cation hco+  
501 HCS- Thioformyl anion hcs-  
502 HCS+ Thioformyl cation hcs+  
503 HNO Nitrosyl hydride hno  
504 HNO- Nitrosyl hydride anion hno-  
505 HNO+ Nitrosyl hydride cation hno+  
506 NOH Hydroxyimidogen noh  
507 NOH+ O-protonated nitric oxide noh+  
508 HNS Sulfur imide hns  
509 HNS- Sulfur imide anion hns-  
510 HO2- Hydroperoxy anion ho2-  
511 HO2+ Hydroperoxy cation ho2+  
512 HSO+ Sulfur Monoxide, S-protonated HSO+  
513 SOH Sulfur Hydroxide soh  
514 SOH+ Sulfur Monoxide, protonated soh+  
515 HS2 Thiosulfeno radical hs2  
516 H2CO- formaldehyde anion h2co-  
517 H2CO+ formaldehyde cation h2co+  
518 HOCH hydroxycarbene hoch  
519 H2CS Thioformaldehyde h2cs  
520 H2CS- thioformaldehyde anion h2cs-  
521 H2CS+ thioformaldehyde cation h2cs+  
522 H2CSe Selenoformaldehyde h2cse  
523 H2NO nitroxide h2no  
524 H2O2 Hydrogen peroxide h2o2  
525 H2O2+ Hydrogen peroxide cation h2o2+  
526 H2OO water oxide h2oo  
527 HOSH hydrogen thioperoxide hosh  
528 H2S2 Disulfane h2s2  
529 H2S2+ hydrogen disulfide cation h2s2+  
530 H2Se2 hydrogen diselenide h2se2  
531 CH2OH Hydroxymethyl radical ch2oh  
532 CH2OH+ hydroxymethyl cation ch2oh+  
533 CH3O Methoxy radical ch3o  
534 CH3O- methoxy anion ch3o-  
535 CH3O+ Methoxy cation ch3o+  
536 CH3S thiomethoxy ch3s  
537 H2CSH+ Thioformaldehyde, protonated h2csh+  
538 NH2OH hydroxylamine nh2oh  
539 NH2OH+ Hydroxylamine cation nh2oh+  
540 NH3O Ammonia Oxide nh3o  
541 H2POH Phosphinous acid h2poh  
542 H3PO Phosphine oxide h3po  
543 NH2SH Thiohydroxylamine nh2sh  
544 NH3S sulfidoazane nh3s  
545 H3O2+ hydrogen peroxide, protonated h3o2+  
546 CH3OH Methyl alcohol ch3oh  
547 CH3OH- Methyl alcohol anion ch3oh-  
548 CH3OH+ Methyl alcohol cation ch3oh+  
549 CH3SH Methanethiol ch3sh  
550 CH3SH+ Methanethiol cation ch3sh+  
551 SiH3OH silanol sih3oh  
552 CH3SeH Methane selenol ch3seh  
553 NH2OH2+ protonated hydroxylamine nh2oh2+  
554 NH3OH+ N-protonated hydroxylamine nh3oh+  
555 H2OH2O water dimer h2oh2o  
556 CH3OH2+ Methanol, protonated ch3oh2+  
557 CH3SH2+ protonated methylsulfide ch3sh2+  
558 H2ONH3 Water Ammonia Dimer h2onh3  
559 H5O2+ Dihydroxonium ion h5o2+  
560 LiF lithium fluoride lif  
561 LiCl lithium chloride licl  
562 LiCl- lithium chloride anion licl-  
563 LiCl+ lithium chloride cation licl+  
564 NaF sodium fluoride naf  
565 NaF- sodium fluoride anion naf-  
566 NaF+ sodium fluoride cation naf+  
567 KF Potassium Fluoride kf  
568 NaCl Sodium Chloride nacl  
569 NaCl- sodium chloride anion nacl-  
570 NaCl+ sodium chloride cation nacl+  
571 KCl Potassium Chloride kcl  
572 LiBr Lithium Bromide libr  
573 LiBr- lithium bromide anion libr-  
574 LiBr+ lithium bromide cation libr+  
575 NaBr Sodium Bromide nabr  
576 NaBr- sodium bromide anion nabr-  
577 NaBr+ sodium bromide cation nabr+  
578 KBr Potassium Bromide kbr  
579 LiI Lithium Iodide lii  
580 NaI Sodium Iodide nai  
581 KI Potassium Iodide ki  
582 LiF- lithium fluoride anion lif-  
583 LiF+ lithium fluoride cation lif+  
584 BeF Beryllium monofluoride bef  
585 BeF- Beryllium monofluoride anion bef-  
586 BeF+ Beryllium monofluoride cation bef+  
587 BeCl beryllium monochloride becl  
588 MgF Magnesium monofluoride mgf  
589 MgF- magnesium fluoride anion mgf-  
590 MgF+ magnesium fluoride cation mgf+  
591 CaF Calcium monofluoride caf  
592 MgCl magnesium monochloride mgcl  
593 MgCl- magnesium monochloride anion mgcl-  
594 MgCl+ magnesium monochloride cation mgcl+  
595 CaCl calcium monochloride cacl  
596 TiCl Titanium Monochloride ticl  
597 ZnF Zinc monofluoride znf  
598 ZnF- Zinc monofluoride anion znf-  
599 ZnF+ Zinc monofluoride cation znf+  
600 ZnCl Zinc monochloride zncl  
601 CaBr Calcium monobromide cabr  
602 BeCl- beryllium monochloride anion becl-  
603 BeCl+ beryllium monochloride cation becl+  
604 BF- Boron monofluoride anion bf-  
605 BF+ Boron monofluoride cation bf+  
606 AlF Aluminum monofluoride alf  
607 AlF- Aluminum monofluoride anion alf-  
608 AlF+ Aluminum monofluoride cation alf+  
609 BCl boron monochloride bcl  
610 BCl- boron monochloride anion bcl-  
611 BCl+ boron monochloride cation bcl+  
612 AlCl Aluminum monochloride alcl  
613 AlCl- aluminum monochloride anion alcl-  
614 AlCl+ aluminum monochloride cation alcl+  
615 ScF Scandium monofluoride scf  
616 BBr Boron monobromide bbr  
617 GaF Gallium monofluoride gaf  
618 GaF+ Gallium monofluoride cation gaf+  
619 AlBr Aluminum monobromide albr  
620 GaCl Gallium monochloride gacl  
621 GaCl+ Gallium monochloride cation gacl+  
622 AlI Aluminum monoiodide ali  
623 GaBr Gallium monobromide gabr  
624 CF Fluoromethylidyne cf  
625 CF- carbon monofluoride anion cf-  
626 CF+ carbon monofluoride cation cf+  
627 CCl carbon monochloride ccl  
628 CCl- carbon monochloride anion ccl-  
629 CCl+ carbon monochloride cation ccl+  
630 SiF silicon monofluoride sif  
631 SiF- silicon monofluoride anion sif-  
632 SiF+ silicon monofluoride cation sif+  
633 SiCl Clorosilylidyne sicl  
634 SiCl- silicon monochloride anion sicl-  
635 SiCl+ silicon monochloride cation sicl+  
636 CBr Carbon monobromide cbr  
637 GeF Germanium monofluoride gef  
638 GeF+ Germanium monofluoride cation gef+  
639 GeCl Germanium monochloride gecl  
640 GeCl+ Germanium monochloride cation gecl+  
641 SiBr Silicon monobromide sibr  
642 SiBr+ Silicon monobromide cation sibr+  
643 NF nitrogen fluoride nf  
644 NF- nitrogen monofluorine anion nf-  
645 NF+ nitrogen monofluoirde cation nf+  
646 NCl nitrogen monochloride ncl  
647 NCl- nitrogen monochloride anion ncl-  
648 NCl+ nitrogen monochloride cation ncl+  
649 PF phosphorus monofluoride pf  
650 PF- phosphorus monofluoride anion pf-  
651 PF+ phosphorus monofluoride cation pf+  
652 PCl phosphorus chloride pcl  
653 PCl- phosphorus monochloride anion pcl-  
654 PCl+ phosphorus monochloride cation pcl+  
655 AsF Arsenic monofluoride asf  
656 NBr nitrogen monobromide nbr  
657 AsCl Arsenic monochloride ascl  
658 PBr Phosphorus monobromide pbr  
659 SbF Antimony monofluoride sbf  
660 SbCl Antimony monochloride sbcl  
661 FO Oxygen monofluoride fo  
662 FO- flourine oxide anion fo-  
663 FO+ fluorine monoxide cation fo+  
664 ClO Monochlorine monoxide clo  
665 ClO- chlorine monoxide anion clo-  
666 ClO+ chlorine monoxide cation clo+  
667 SF Monosulfur monofluoride sf  
668 SF- sulfur monofluoride anion sf-  
669 SF+ sulfur monofluoride cation sf+  
670 SCl sulfur monochloride scl  
671 SCl- sulfur monochloride anion scl-  
672 SCl+ sulfur monochloride cation scl+  
673 BrO Bromine monoxide bro  
674 BrO- Bromine monoxide anion bro-  
675 BrO+ Bromine monoxide cation bro+  
676 SeF Selenium monofluoride sef  
677 SBr Sulfur monobromide radical sbr  
678 SBr+ Sulfur monobromide cation sbr+  
679 SeCl Selenium monochloride secl  
680 IO Iodine monoxide io  
681 SeBr Selenium monobromide sebr  
682 BrCl Bromine monochloride brcl  
683 F2- flourine diatomic anion f2-  
684 F2+ flourine diatomic cation f2+  
685 ClF Chlorine monofluoride clf  
686 ClF- clorine monofluoride anion clf-  
687 ClF+ clorine monofluoride cation clf+  
688 Cl2- chlorine diatomic anion cl2-  
689 Cl2+ chlorine diatomic cation cl2+  
690 BrF Bromine monofluoride brf  
691 BrF- bromine fluoride anion brf-  
692 BrF+ bromine fluoride cation brf+  
693 BrCl- bromine chloride anion brcl-  
694 BrCl+ bromine chloride cation brcl+  
695 IF Iodine monofluoride if  
696 Br2 Bromine diatomic br2  
697 Br2- bromine diatomic anion br2-  
698 Br2+ bromine diatomic cation br2+  
699 ICl Iodine monochloride icl  
700 IBr Iodine monobromide ibr  
701 I2 Iodine diatomic i2  
702 I2+ Iodine diatomic cation i2+  
703 HCF Fluoromethylene hcf  
704 HCCl Chloromethylene hccl  
705 HSiF fluorosilylene hsif  
706 HSiCl Chlorosilylene hsicl  
707 HSiBr monobromosilylene hsibr  
708 CHBr bromomethylene chbr  
709 HOF Hypofluorous acid hfo  
710 DOCl Hypochlorous acid-d docl  
711 HOCl hypochlorous acid hocl  
712 HOCl+ hypochlorous acid cation hocl+  
713 HOBr Hypobromous acid hobr  
714 HOBr+ Hypobromous acid cation hobr+  
715 HOI Hypoiodous acid hoi  
716 F2H+ Fluorine, protonated f2h+  
717 FHF Hydrogen difluoride fhf  
718 FHF- Hydrogen difluoride anion fhf-  
719 ClFH+ Chlorine fluoride, F-protonated clfh+  
720 FClH+ Chlorine fluoride, Cl-protonated fclh+  
721 Cl2H+ Chlorine, protonated cl2h+  
722 CH2Br bromomethyl radical ch2br  
723 CH2F fluoromethyl radical ch2f  
724 CH2F+ fluoromethyl cation ch2f+  
725 CH2Cl+ chloromethyl cation ch2cl+  
726 CH2Cl chloromethyl radical ch2cl  
727 NH2F monofluoroamine nh2f  
728 H2F2 Hydrogen fluoride dimer h2f2  
729 CH3F+ methyl fluoride cation ch3f+  
730 CD3F methylfluoride-d3 cd3f  
731 CH3F Methyl fluoride ch3f  
732 CD3Cl methyl chloride d3 cd3cl  
733 CH3Cl Methyl chloride ch3cl  
734 CH3Cl+ Methyl chloride cation ch3cl+  
735 SiH3F monofluorosilane sih3f  
736 SiH3Cl chlorosilane sih3cl  
737 CH3Br methyl bromide ch3br  
738 GeH3F monofluorogermane geh3f  
739 GeH3Cl monochlorogermane geh3cl  
740 SiH3Br bromosilane sih3br  
741 CH3I methyl iodide ch3i  
742 SiH3I Silyl Iodide sih3i  
743 NH3Cl+ protonated monochloroammonia nh3cl+  
744 CH3ClH+ methyl chloride, protonated ch3clh+  
745 NH4Cl Ammonium chloride nh4cl  
746 LiNe+ Lithium Neon cation line+  
747 Ne2 Neon diatomic ne2  
748 Ne2+ Neon diatomic cation ne2+  
749 Ar2 Argon diatomic ar2  
750 Ar2+ Argon diatomic cation ar2+  
751 Li3 Lithium trimer li3  
752 Li3+ Lithium trimer cation li3+  
753 C3 carbon trimer c3  
754 C3+ carbon trimer cation c3+  
755 SiC2 Silicon dicarbide sic2  
756 C3H3 cyclopropenyl radical cpr  
757 C3H3 Propargyl radical propargyl  
758 C3H3- Propargyl anion c3h3-  
759 C3H3+ cyclopropenyl cation cpr+  
760 C3H3+ Propargyl cation c3h3+  
761 C3H4 cyclopropene cprop  
762 CH2CCH2 allene allene  
763 CH3CCH propyne propyne  
764 C3H5+ Allyl cation allyl+  
765 CH3CHCH 1-propenyl radical ch3chch  
766 Zn(CH3)2 dimethyl zinc dmz  
767 C3H7 n-Propyl radical npropyl  
768 C3H7+ cyclopropane, protonated c3h7+  
769 CH3CHCH3 Isopropyl radical isopropyl  
770 CH3CHCH3+ Isopropyl cation prop2yl+  
771 C3H8 Propane propane  
772 SiH2(CH3)2 dimethylsilane dms  
773 Si3H8 trisilane si3h8  
774 LiCN lithium cyanide licn  
775 NaCN Sodium Cyanide nacn  
776 KCN Potassium cyanide kcn  
777 CuCN Copper cyanide cucn  
778 ZnCN Zinc monocyanide zncn  
779 ZnNC Zinc isocyanide znnc  
780 AlCN Aluminum monocyanide alcn  
781 AlNC Aluminum isocyanide alnc  
782 CN2 3H-Diazirin-3-ylidene cn2  
783 CNN Diazocarbene cnn  
784 NCN Cyanoimidogen ncn  
785 N3 azide radical n3  
786 N3- azide anion n3-  
787 N3+ azide cation n3+  
788 HCCN cyanomethylene hccn  
789 HCNN diazomethyl radical hcnn  
790 HN3 hydrogen azide hn3  
791 HN3+ Hydrazoic acid cation hn3+  
792 HNCNH diiminomethane hncnh  
793 CH2N2 diazirine ch2n2  
794 CH2NN diazomethane ch2nn  
795 NH2CN cyanamide cyanamide  
796 HNNNH+ 1,2-Triazadienium n2h3+  
797 NH2NN+ hydrazoic acid, protonated nh2nn+  
798 CH3CN Acetonitrile ch3cn  
799 CH3CN- acetonitrile anion ch3cn-  
800 CH3CN+ Acetonitrile cation ch3cn+  
801 CH3NC methyl isocyanide ch3nc  
802 CHNCH2 2H-Azirine c157164  
803 CHNHCH 1H-Azirine chnhch  
804 H2CCNH Ethenimine ch2cnh  
805 H2CNCH methyleneaminomethylene ch2nch  
806 HCCNH2 Ethynamine hccnh2  
807 HCNCH2+ 2H-Azirine cation hcnch2+  
808 HNCNH2+ diiminomethane, protonated hncnh2+  
809 NCNH3+ Cyanamide, protonated ncnh3+  
810 NH2CNH+ cyanamide, cn protonated nh2cnh+  
811 NH3CN+ cyanamide, amine protonated nh3cn+  
812 CH2CHNH vinylazine ch2chnh  
813 CH3CHN methylmethaniminyl radical ch3chn  
814 NHCHNH2 aminomethanimine cn2h4  
815 C2H5N Aziridine c2h5n  
816 CH2CHNH2 aminoethene aminoethene  
817 CH2NCH3 N-methylmethanimine nmm  
818 CH3CHNH ethanimine ethanimine  
819 NH2BHNH2 diaminoborane nh2bhnh2  
820 C2H5NH+ Protonated Aziridine c2h5nh+  
821 C2H6N+ aziridine, protonated c2h6n+  
822 NH2CH2NH2 diaminomethane nh2ch2nh2  
823 CH3CH2NH2 Ethylamine etam  
824 CH3NHCH3 Dimethylamine ch3nhch3  
825 CH3PHCH3 dimethylphosphine ch3phch3  
826 NH2CH2NH3+ diaminoethane, protonated pdam  
827 (CH3)2NH2+ dimethylammonium cation dmam  
828 CH3CH2NH3+ ethylamine, protonated pea  
829 Li2O dilithium oxide li2o  
830 Li2O+ dilithium oxide cation li2o+  
831 Li2S dilithium sulfide li2s  
832 Na2O disodium monoxide na2o  
833 Na2S Sodium sulfide na2s  
834 LiO2 Lithium dioxide lio2  
835 NaO2 Sodium superoxide nao2  
836 CCO Dicarbon monoxide cco  
837 CNO- fulminate cno-  
838 NCO isocyanato radical nco  
839 NCO- cyanate nco-  
840 SCN thiocyanato radical scn  
841 SCN- thiocyanide anion scn-  
842 BO2 Boron dioxide bo2  
843 BO2- Boron dioxide anion bo2-  
844 BO2+ Boron dioxide cation bo2+  
845 N2O Nitrous oxide n2o  
846 N2O- Nitrous oxide anion n2o-  
847 N2O+ Nitrous oxide cation n2o+  
848 NNS Nitrogen sulfide nns  
849 PPO Phosphorus oxide phosphide ppo  
850 CO2- Carbon dioxide anion co2-  
851 CO2+ Carbon dioxide cation co2+  
852 OCS Carbonyl sulfide cos  
853 OCS+ Carbonyl sulfide cation cos+  
854 SiO2 silicon dioxide sio2  
855 CS2 Carbon disulfide cs2  
856 CS2- Carbon disulfide anion cs2-  
857 CS2+ Carbon disulfide cation cs2+  
858 TiO2 Titanium dioxide tio2  
859 SiS2 Silicon disulfide sis2  
860 GeO2 Germanium dioxide geo2  
861 OCSe Carbonyl selenide ocse  
862 SCSe Carbon sulfide selenide scse  
863 GeS2 Germanium disulfide ges2  
864 CSe2 Carbon diselenide cse2  
865 SCTe Carbon sulfide Telluride scte  
866 NO2 Nitrogen dioxide no2  
867 NO2- Nitrogen dioxide anion no2-  
868 NO2+ Nitrogen dioxide cation no2+  
869 NSO sulfinyl amidogen NSO  
870 PO2 Phosphorus dioxide po2  
871 PO2- Phosphorus dioxide anion po2-  
872 PO2+ Phosphorus dioxide cation po2+  
873 SNO Nitrogen oxide sulfide sno  
874 AsO2 Aresenic dioxide aso2  
875 O3 Ozone o3  
876 O3- Ozone anion o3-  
877 O3+ Ozone cation o3+  
878 SO2- Sulfur dioxide anion so2-  
879 SO2+ Sulfur dioxide cation so2+  
880 SSO Disulfur monoxide sso  
881 S3- Sulfur trimer anion s3-  
882 S3+ Sulfur trimer cation s3+  
883 SeO2 Selenium dioxide seo2  
884 SeO2+ Selenium dioxide cation seo2+  
885 TeO2 Tellurium Dioxide teo2  
886 HCCO ketenyl radical ketenyl  
887 CS2H+ Carbon disulfide, protonated cs2h+  
888 HCNO fulminic acid hcno  
889 HNCO Isocyanic acid hnco  
890 HOCN cyanic acid hocn  
891 HNCS Isothiocyanic acid hncs  
892 HSCN thiocyanic acid hscn  
893 HCO2- formate anion hco2-  
894 HNNO nitrosoazane hnno  
895 HNNO+ Nitrous oxide, N-protonated hnno+  
896 NNOH+ Nitrous Oxide, O-protonated nnoh+  
897 HCOO formate neutral radical hcoo  
898 HOCO+ Hydrocarboxyl cation hoco+  
899 HNO2 Nitrous acid hno2  
900 HNO2+ nitrous acid cation hno2+  
901 O3H+ protonated ozone o3h+  
902 SO2H+ protonated sulfur dioxide so2h+  
903 C2H2O Oxirene oxirene  
904 CH2CO Ketene ch2co  
905 CH2CO+ Ketene cation ch2co+  
906 HCCOH ethynol hccoh  
907 CH2CS Thioketene ch2cs  
908 Be(OH)2 Beryllium hydroxide beo2h2  
909 Mg(OH)2 Magnesium dihydroxide h2mgo2  
910 NH2NO Nitrosamide nh2no  
911 CH2O2 Dioxirane diox  
912 H2COO Dioxymethyl radical h2coo  
913 H2COO+ dioxymethyl cation h2coo+  
914 HCOOH Formic acid ch2o2  
915 H2O3 Hydrogen trioxide h2o3  
916 HSSSH trisulfane hsssh  
917 NaOCH3 Sodium methoxide naoch3  
918 CH2BOH hydroxy(methylene)borane ch2boh  
919 BH3CO Borane carbonyl bh3co  
920 CH3BO Borane, methyloxo- ch3bo  
921 CH2CHO Vinyloxy radical ch2cho  
922 CH2COH+ ketene, protonated ch2coh+  
923 CH3CO- Acetyl anion ch3co-  
924 CH3CO+ acetyl cation ch3co+  
925 CH2NOH formaldoxime ch2noh  
926 CH3NO nitrosomethane ch3no  
927 CHONH2 formamide formamide  
928 CNOH3 1,2-oxaziridine cnoh3  
929 HOCHNH hydroxymethylimine hochnh  
930 CHSNH2 thioformamide chsnh2  
931 NHCHSH Methanimidothioic acid nhchsh  
932 CH2OOH CH2OOH radical ch2ooh  
933 CH3OO methylperoxy radical ch3oo  
934 CH3OO- methylperoxy anion ch3oo-  
935 CH3OO+ methylperoxy cation ch3oo+  
936 C2H4O Ethylene oxide c2h4o  
937 C2H4O+ ethylene oxide cation c2h4o+  
938 CH2CHOH ethenol ch2choh  
939 CH3CHO Acetaldehyde ch3cho  
940 CH3CHO+ acetaldehyde cation ch3cho+  
941 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
942 C2H4S Thiirane thiirane  
943 CH2CHSH Ethenethiol ch2chsh  
944 CH3CHS Thioacetaldehyde ch3chs  
945 H2CONH2+ protonated formamide h2conh2+  
946 NH2CHOH+ Formamide, O-protonated nh2choh+  
947 NH3CHO+ Formamide, N-Protonated nh3cho+  
948 CH2(OH)2 methanediol ch2o2h2  
949 CH3OOH Methyl peroxide ch3ooh  
950 CH3SSH Hydrogen methyl disulfide ch3ssh  
951 HSCH2SH Methanedithiol ch4s2  
952 H2OH2CO water formaldehyde dimer h2oh2co  
953 C2H4OH+ ethylene oxide, protonated c2h4oh+  
954 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
955 CH3CH2O Ethoxy radical ethoxy  
956 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
957 CH3CHOH+ acetaldehyde, protonated ch3choh+  
958 CH3OCH2 methoxymethyl radical ch3och2  
959 NH2CH2OH aminomethanol nh2ch2oh  
960 CH3CH2OH Ethanol etoh  
961 CH3OCH3 Dimethyl ether meome  
962 CH3CH2SH ethanethiol etsh  
963 CH3SCH3 Dimethyl sulfide mesme  
964 CH3SCH3+ dimethyl sulfide cation mesme+  
965 CH3SeCH3 dimethylselenide dmse  
966 CH3OHH2O methanol water dimer ch3ohh2o  
967 H2OCH3OH water methanol dimer h2och3oh  
968 CuF2 Copper difluoride cuf2  
969 ZnF2 Zinc difluoride znf2  
970 CNF iso cyanogen fluoride cnf  
971 FCN Cyanogen fluoride fcn  
972 ClCN chlorocyanogen clcn  
973 BrCN Cyanogen bromide brcn  
974 ICN Cyanogen iodide icn  
975 FBO Boron monofluoride monoxide fbo  
976 BeF2 Beryllium fluoride bef2  
977 MgF2 Magnesium fluoride mgf2  
978 BeCl2 Beryllium chloride becl2  
979 MgCl2 Magnesium dichloride mgcl2  
980 CaCl2 Calcium Chloride cacl2  
981 ZnCl2 Zinc dichloride zncl2  
982 BeBr2 Beryllium bromide bebr2  
983 CaBr2 Calcium dibromide cabr2  
984 CaF2 Calcium difluoride caf2  
985 FCO Carbonyl fluoride fco  
986 FCO+ Carbonyl fluoride cation fco+  
987 ClCO carbonyl monochloride clco  
988 BF2 Boron difluoride radical bf2  
989 FNO Nitrosyl fluoride fno  
990 ClNO Nitrosyl chloride clno  
991 FNS Thionitrosyl fluoride fns  
992 FSN Thiazyl fluoride fsn  
993 OPCl Phosphorus oxychloride opcl  
994 BrNO Nitrosyl bromide brno  
995 INO Nitrosyl iodide ino  
996 CF2 Difluoromethylene cf2  
997 CF2- Difluoromethylene anion cf2-  
998 CF2+ Difluoromethylene cation cf2+  
999 CFCl chlorofluoromethylene cfcl  
1000 SiF2 Silicon difluoride sif2  
1001 SiF2+ Silicon difluoride cation sif2+  
1002 CCl2 dichloromethylene ccl2  
1003 CCl2- dichloromethylene anion ccl2-  
1004 CCl2+ dichloromethylene cation ccl2+  
1005 SiCl2 Dichlorosilylene sicl2  
1006 GeF2 Germanium difluoride gef2  
1007 GeCl2 Germanium dichloride gecl2  
1008 CBr2 dibromomethylene cbr2  
1009 FOO Dioxygen monofluoride radical foo  
1010 FOO+ Fluorine dioxide cation foo+  
1011 ClOO chloroperoxy radical cloo  
1012 ClOO+ chloroperoxy cation cloo+  
1013 OClO Chlorine dioxide oclo  
1014 OClO- Chlorine dioxide anion oclo-  
1015 OClO+ Chlorine dioxide cation oclo+  
1016 ClSO Sulfur chloride oxide clso  
1017 ClS2 Sulfur chloride cls2  
1018 BrOO Bromine dioxide broo  
1019 OBrO Bromine dioxide radical obro  
1020 NF2 Difluoroamino radical nf2  
1021 NF2+ Difluoroamino cation nf2+  
1022 PF2 Phosphorus difluoride pf2  
1023 PF2+ Phosphorus difluoride cation pf2+  
1024 FClO chlorosyl fluoride fclo  
1025 F2O Difluorine monoxide f2o  
1026 ClOF Chlorine hypofluorite clof  
1027 SF2 sulfur difluoride sf2  
1028 SF2- sulfur difluoride anion sf2-  
1029 SF2+ sulfur difluoride cation sf2+  
1030 Cl2O Dichlorine monoxide cl2o  
1031 SCl2 Sulfur dichloride scl2  
1032 SeF2 Selenium difluoride sef2  
1033 BrOCl Bromine hypochlorite brocl  
1034 SeCl2 Selenium Dichloride secl2  
1035 SBr2 Sulfur dibromide sbr2  
1036 SeBr2 Selenium dibromide sebr2  
1037 BrOBr Bromine oxide brobr  
1038 F3- trifluoride anion f3-  
1039 Cl3- trichloride anion cl3-  
1040 Br3- tribromide anion br3-  
1041 I3- triiodide i3-  
1042 SFCl Sulfur chloride fluoride sfcl  
1043 HCCF Fluoroacetylene hccf  
1044 HCCF+ fluoroacetylene cation hccf+  
1045 HCCCl Chloroacetylene hcccl  
1046 HCCBr bromoacetylene hccbr  
1047 HFCO formyl fluoride hfco  
1048 HFCO+ formyl fluoride cation hfco+  
1049 COHCl Formyl chloride cohcl  
1050 COHBr Formyl bromide cohbr  
1051 BHF2 Difluoroborane bhf2  
1052 BHCl2 Borane, dichloro- bhcl2  
1053 CHCl2 dichloromethyl radical chcl2  
1054 CHF2 difluoromethyl radical chf2  
1055 CHF2+ difluoromethyl cation chf2+  
1056 CHFCl Chlorofluoromethyl radical chfcl  
1057 CHFCl+ Chlorofluoromethyl cation chfcl+  
1058 CHCl2+ dichloromethyl cation chcl2+  
1059 CHBr2 dibromomethyl radical chbr2  
1060 HOClO Chlorous acid hoclo  
1061 NHF2 difluoramine nhf2  
1062 NHCl2 dichloroamine nhcl2  
1063 CH2F2 Methane, difluoro- ch2f2  
1064 CH2FCl fluorochloromethane ch2fcl  
1065 SiH2F2 difluorosilane sih2f2  
1066 CH2Cl2 Methylene chloride ch2cl2  
1067 CH2BrF Methane, bromofluoro- ch2fbr  
1068 CH2BrCl Methane, bromochloro- ch2clbr  
1069 CH2FI fluoroiodomethane ch2fi  
1070 CH2Br2 dibromomethane ch2br2  
1071 CH2ClI chloroiodomethane ch2cli  
1072 CH2BrI bromoiodomethane ch2bri  
1073 CH2I2 Diiodomethane ch2i2  
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 C2H3I Vinyl iodide c2h3i  
1081 CH2FOH fluoromethanol ch2foh  
1082 CH3OCl methyl hypochlorite ch3ocl  
1083 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1084 CHClCH3 1-chloroethyl radical chclch3  
1085 C2H5F fluoroethane c2h5f  
1086 CH3CH2Cl Ethyl chloride c2h5cl  
1087 CH3SiFH2 fluoromethylsilane ch3sifh2  
1088 C2H5Br Ethyl bromide etbr  
1089 C2H5I Ethyl iodide c2h5i  
1090 KrF2 Krypton difluoride krf2  
1091 XeF2 Xenon difluoride xef2  
1092 B4H10 Tetraborane(10) b4h10  
1093 C4 Carbon tetramer c4  
1094 C4+ Carbon tetramer cation c4+  
1095 C4H2 Diacetylene c4h2  
1096 C4H2+ diacetlyene cation c4h2+  
1097 C2H3CCH 1-Buten-3-yne c2h3cch  
1098 C4H4 cyclobutadiene cbd  
1099 C4H4 Tetrahedrane c4h4  
1100 H2CCCCH2 Butatriene h2cccch2  
1101 C4H6 1-Methylcyclopropene c3100047  
1102 C4H6 Cyclobutene c822355  
1103 C4H6 Methylenecyclopropane c6142730  
1104 CH2CCHCH3 1,2-Butadiene butad12  
1105 CH2CHCHCH2 1,3-Butadiene c106990  
1106 CH3CCCH3 2-Butyne c503173  
1107 CHCCH2CH3 1-Butyne c107006  
1108 CH3CHCHCH2 methylallyl radical c4h7  
1109 C4H8 methylcyclopropane mcp  
1110 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1111 CH2CHCH2CH3 1-Butene bute1  
1112 CH3CHCHCH3 2-Butene, (E)- bute2e  
1113 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1114 B(CH3)3 trimethylborane bme3  
1115 Al(CH3)3 trimethyl aluminum tma  
1116 C(CH3)3 Tert-butyl radical tbutyl  
1117 CH2CH(CH3)2 Isobutyl radical isobutyl  
1118 CH3CHCH2CH3 2-Butyl radical butyl2  
1119 CH3CH(CH3)CH3 Isobutane isobutane  
1120 CH3CH2CH2CH3 Butane butane  
1121 SiH(CH3)3 trimethylsilane trimsi  
1122 Li3N trilithium nitride li3n  
1123 C2N2 Cyanogen c2n2  
1124 C2N2+ Cyanogen cation c2n2+  
1125 P4 Phosphorus tetramer p4  
1126 As4 Arsenic tetramer as4  
1127 HCCCN Cyanoacetylene hcccn  
1128 HCCCN+ Cyanoacetylene cation hcccn+  
1129 H2CNCN cyanamide, methylene ch2ncn  
1130 HNCCNH Ethenediimine hnccnh  
1131 C3H3N acrylonitrile ch2chcn  
1132 C3H3N+ acrylonitrile cation ch2chcn+  
1133 CH3N3 methyl azide ch3n3  
1134 NH2CCNH2 Diaminoacetylene daa  
1135 NH2CH2CN Aminoacetonitrile aan  
1136 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1137 C2H5CN ethyl cyanide c2h5cn  
1138 CH5N3 Guanidine guanidine  
1139 C4H6 Bicyclo[1.1.0]butane c157335  
1140 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1141 H2NCHCHNH2 diaminoethylene dae  
1142 CH6N3+ guanidinium ch6n3+  
1143 C3H7N Cyclopropylamine cpram  
1144 CH7N3 triaminomethane tam  
1145 C3H7N Azetidine azet  
1146 C4H8 cyclobutane cbutane  
1147 C2H8N2 Ethylenediamine ethdiam  
1148 CH3NHNHCH3 dimethyl hydrazine dmh  
1149 CH3CH(NH2)CH3 2-Propanamine pram2  
1150 N(CH3)3 Trimethylamine trimeam  
1151 NH2CH2CH2CH3 1-Propanamine pram1  
1152 P(CH3)3 trimethylphosphine tmp  
1153 N(SiH3)3 trisilylamine tsa  
1154 (CH3)3NH+ protonated trimethyl amine ptma  
1155 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1156 Li2O2 dilithium dioxide li2o2  
1157 Na2O2 disodium dioxide na2o2  
1158 K2O2 dipotassium dioxide k2o2  
1159 C3O Tricarbon monoxide c3o  
1160 B2O2 Diboron dioxide b2o2  
1161 ONNO NO dimer onno  
1162 S2N2 Disulfur dinitride s2n2  
1163 CO3 Carbon trioxide co3  
1164 CO3-- carbonate co3--  
1165 CS3-- Carbonotrithioate cs3--  
1166 NO3 Nitrogen trioxide no3  
1167 NO3- nitrate anion no3-  
1168 NO3+ nitrogen trioxide cation no3+  
1169 SO3 Sulfur trioxide so3  
1170 SO3- Sulfur trioxide anion so3-  
1171 SO3-- Sulfate dianion so3--  
1172 SO3+ Sulfur trioxide cation so3+  
1173 SeO3 selenium trioxide seo3  
1174 S4 Sulfur tetramer s4  
1175 TeO3 Tellurium trioxide teo3  
1176 HCO3- bicarbonate anion hco3-  
1177 HNO3 Nitric acid hno3  
1178 HSO3 Hydroxysulfonyl radical hso3  
1179 NH2NO2 nitramide nh2no2  
1180 C2H2CO cyclopropenone c2h2co  
1181 C3H2O Propadienal c3h2o  
1182 HCCCHO 2-propynal hcccho  
1183 C2H2O2 Ethanedial c2h2o2  
1184 C2H2O2+ Ethanedial cation c2h2o2+  
1185 H2CO3 Carbonic acid h2co3  
1186 H2CS3 thiocarbonic acid h2cs3  
1187 H2NO3+ Nitric Acid, Protonated h2no3+  
1188 H2SO3 Sulfurous acid h2so3  
1189 C2H3NO Nitrosoethylene c2h3no  
1190 CH3NCO methylisocyante ch3nco  
1191 HOCH2CN cyanomethanol hoch2cn  
1192 CH3COO- acetate anion ch3coo-  
1193 CH3NO2 Methane, nitro- ch3no2  
1194 CH3ONO Methyl nitrite ch3ono  
1195 NH2COOH Carbamic acid nh2cooh  
1196 H3BO3 Boric acid h3bo3  
1197 H3AlO3 Aluminum hydroxide h3alo3  
1198 H3CO3+ carbonic acid, protonated h3co3+  
1199 C3H4O 2-Propyn-1-ol c107197  
1200 C3H4O allenol c9000071  
1201 C3H4O Cyclopropanone cpone  
1202 C3H4O Methylketene c6004440  
1203 CH2CHCHO Acrolein c3h4o  
1204 NH2CONH2 Urea urea  
1205 NH2CONH2+ Urea cation urea+  
1206 NH2CSNH2 Thiourea thiourea  
1207 C2H4O2 1,3-dioxetane c2h4o2  
1208 CH3COOH Acetic acid ch3cooh  
1209 CH3OCHO methyl formate ch3ocho  
1210 CHOCH2OH hydroxy acetaldehyde haa  
1211 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1212 NH3COOH+ protonated Carbamic acid nh3cooh+  
1213 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1214 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1215 HCOOHH2O Formic acid water dimer hcoohh2o  
1216 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1217 CH3COCH2 Acetonyl radical ch3coch2  
1218 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1219 CH3C(OH)=NH Ethaninidic acid eia  
1220 CH3CHNOH Acetaldoxime acetaldoxime  
1221 CH3CONH2 Acetamide acetamide  
1222 HCONHCH3 N-methylformamide nmfa  
1223 CH3CSNH2 Ethanethioamide ch3csnh2  
1224 CH5N2O+ urea, N-protonated ch4n2o+  
1225 H2NCOHNH2+ urea, protonated ureah+  
1226 C2H5OO ethylperoxy radical c2h5oo  
1227 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1228 C3H5OH Cyclopropanol cproh  
1229 C3H6O 2-Propen-1-ol c107186  
1230 C3H6O Acetone enol enol  
1231 C3H6O Oxetane oxetane  
1232 C3H6O Propylene oxide prox  
1233 CH3CH2CHO Propanal propanal  
1234 CH3COCH3 Acetone acetone  
1235 CH3COCH3- acetone anion ch3coch3-  
1236 C3H6S Thietane thietane  
1237 C3H6S Thiirane, methyl- methiirane  
1238 CH3CSCH3 Thioacetone ch3csch3  
1239 C2H6O2 1,2-Ethanediol ethdiol  
1240 CH3OOCH3 dimethylperoxide dmp  
1241 CH3SOCH3 Dimethyl sulfoxide dmso  
1242 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1243 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1244 CH3COHCH3+ acetone, protonated acetoneh+  
1245 HOCH2CH2NH2 monoethanolamine mea  
1246 C3H7OH 1-Propanol proh  
1247 CH3CHOHCH3 Isopropyl alcohol isoproh  
1248 CH3OC2H5 Ethane, methoxy- etome  
1249 C3H7SH 1-Propanethiol prsh  
1250 CH3CHSHCH3 2-Propanethiol isoprsh  
1251 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1252 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1253 Li2F2 Lithium fluoride dimer li2f2  
1254 Na2F2 Sodium Fluoride Dimer na2f2  
1255 Na2Cl2 Disodium dichloride na2cl2  
1256 C2F2 difluoroacetylene c2f2  
1257 C2Cl2 dichloroacetylene c2cl2  
1258 C2Cl2+ dichloroacetylene cation c2cl2+  
1259 FNO2 Nitryl fluoride fno2  
1260 FONO Nitrosyl hypofluorite fono  
1261 ClNO2 Nitryl chloride clno2  
1262 ClONO chlorine nitrite clono  
1263 BrONO Bromine nitrite brono  
1264 N2F2 (Z)-Difluorodiazene n2f2_z  
1265 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1266 CF2O Carbonic difluoride f2co  
1267 CF2O+ Carbonic difluoride cation f2co+  
1268 COFCl Carbonic chloride fluoride cofcl  
1269 CCl2O Phosgene cl2co  
1270 Cl2CS Thiophosgene cl2cs  
1271 COBr2 Carbonic dibromide cobr2  
1272 BF3- Borane, trifluoro- anion bf3-  
1273 BF3+ boron trifluoride cation bf3+  
1274 BClF2 Chlorodifluoroborane bclf2  
1275 AlF2Cl Aluminum chloride difluoride alclf2  
1276 ScF3 Scandium trifluoride ScF3  
1277 AlFCl2 Aluminum dichloride fluoride alcl2f  
1278 BCl3 Borane, trichloro- bcl3  
1279 BCl3+ Boron Trichloride cation bcl3+  
1280 GaF3 Gallium trifluoride gaf3  
1281 AlCl3 Aluminum trichloride alcl3  
1282 GaCl3 Gallium trichloride gacl3  
1283 BBr3 Boron tribromide bbr3  
1284 AlBr3 Aluminum Bromide albr3  
1285 ClO3 Chlorine trioxide clo3  
1286 ClO3- chlorate anion clo3-  
1287 BrO3- Bromate anion bro3-  
1288 CF3 Trifluoromethyl radical cf3  
1289 CF3- Trifluoromethyl anion cf3-  
1290 CF3+ Trifluoromethyl cation cf3+  
1291 CF2Cl difluorochloromethyl radical cf2cl  
1292 SiF3 Silicon trifluoride radical sif3  
1293 SiF3+ Silicon trifluoride cation sif3+  
1294 CFCl2 dichlorofluoromethyl radical cfcl2  
1295 CCl3 Trichloromethyl radical ccl3  
1296 CCl3- Trichloromethyl anion ccl3-  
1297 CCl3+ Trichloromethyl cation ccl3+  
1298 SiCl3 trichlorosilyl radical sicl3  
1299 SiCl3+ trichlorosilyl cation sicl3+  
1300 CBr3 tribromomethyl radical cbr3  
1301 FOOF Perfluoroperoxide foof  
1302 ClO2F Chloryl fluoride clo2f  
1303 F2SO Thionyl Fluoride f2so  
1304 ClOOCl Dichlorine dioxide cloocl  
1305 FSSF Difluorodisulfane fssf  
1306 S2F2 Thio-thionyl fluoride s2f2  
1307 SOCl2 thionyl chloride socl2  
1308 SSCl2 Thiothionyl chloride sscl2  
1309 SeOCl2 selenium oxychloride seocl2  
1310 NF3 Nitrogen trifluoride nf3  
1311 NF3- Nitrogen trifluoride anion nf3-  
1312 NF3+ Nitrogen trifluoride cation nf3+  
1313 PF3 Phosphorus trifluoride pf3  
1314 NCl3 nitrogen trichloride ncl3  
1315 AsF3 Arsenic trifluoride asf3  
1316 PCl3 Phosphorus trichloride pcl3  
1317 SbF3 Antimony Trifluoride sbf3  
1318 AsCl3 Arsenous trichloride ascl3  
1319 SbCl3 Antimony Trichloride sbcl3  
1320 NBr3 Nitrogen Tribromide nbr3  
1321 PBr3 Phosphorus tribromide pbr3  
1322 AsBr3 Arsenic tribromide asbr3  
1323 NI3 Nitrogen triiodide ni3  
1324 PI3 Phosphorus triiodide pi3  
1325 ClSSCl Disulfur dichloride s2cl2  
1326 SF3 Sulfur trifluoride sf3  
1327 ClF3 Chlorine trifluoride clf3  
1328 BrF3 Bromine trifluoride brf3  
1329 IF3 iodone trifluoride if3  
1330 HClO3 Chloric Acid hclo3  
1331 CHF3 Methane, trifluoro- chf3  
1332 CHF2Cl difluorochloromethane chf2cl  
1333 SiHF3 trifluorosilane sihf3  
1334 CHFCl2 fluorodichloromethane chfcl2  
1335 CDCl3 trichloromethane-d cdcl3  
1336 CHCl3 Chloroform chcl3  
1337 CHBrF2 Methane, bromodifluoro- chbrf2  
1338 SiHCl3 Trichlorosilane sihcl3  
1339 CHFClBr fluorochlorobromomethane chfclbr  
1340 CHBrCl2 Methane, bromodichloro- chbrcl2  
1341 CHF2I difluoroiodomethane chf2i  
1342 CHBr2F dibromofluoromethane chbr2f  
1343 CHFClI fluorochloroiodomethane chfcli  
1344 CHCl2I dichloroiodomethane chcl2i  
1345 CHClBr2 Methane, dibromochloro- chclbr2  
1346 CHBr3 bromoform chbr3  
1347 CHI3 Iodoform chi3  
1348 NF3H+ protonated nitrogen trifluoride nf3h+  
1349 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1350 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1351 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1352 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1353 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1354 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1355 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1356 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1357 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1358 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1359 C2H2Br2 1,1-dibromoethene c2h2br2  
1360 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1361 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1362 CH2FCHO Fluoroacetaldehyde ch2fcho  
1363 CH3COF Acetyl fluoride ch3cof  
1364 CH2ClCHO chloroacetaldehyde ch2clcho  
1365 CH3COCl Acetyl Chloride ch3cocl  
1366 C2H4F2 1,2-difluoroethane c2h4f2  
1367 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1368 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1369 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1370 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1371 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1372 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1373 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1374 CH2CFCH3 2-fluoropropene 2fpro  
1375 CH2CHCH2F Allyl Fluoride allylf  
1376 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1377 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1378 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1379 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1380 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1381 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1382 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1383 CH2FCH2CH3 1-Fluoropropane prf1  
1384 CH3CHFCH3 2-Fluoropropane prf2  
1385 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1386 CH3CHClCH3 Propane, 2-chloro- prcl2  
1387 CH3CH2CH2Br n-propyl bromide prbr  
1388 CH3CHBrCH3 i-propyl bromide iprbr  
1389 C3H9O+ trimethyl oxonium cation c3h9o+  
1390 B5H9 pentaborane9 b5h9  
1391 C5H4 pentatetraene ptrene  
1392 C5H5 cyclopentadienyl radical c5h5  
1393 C5H5- cylopentadienyl anion c5h5-  
1394 C5H6 1,3-Cyclopentadiene c542927  
1395 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1396 C5H6 3-Penten-1-yne, (E)- c2004695  
1397 C5H6 3-Penten-1-yne, (Z)- c1574409  
1398 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1399 C5H6 Cyclopropylacetylene c6746947  
1400 C5H6 Propellane propellane  
1401 C5H7 1,3-pentadienyl radical pdyl  
1402 C5H7 cyclopentenyl radical cpyl  
1403 C5H8 1,2-Butadiene, 3-methyl- c598254  
1404 C5H8 1,2-Pentadiene c591957  
1405 C5H8 1,3-Butadiene, 2-methyl- c78795  
1406 C5H8 1,3-Pentadiene, (E)- c2004708  
1407 C5H8 1,3-Pentadiene, (Z)- c1574410  
1408 C5H8 1,4-Pentadiene c591935  
1409 C5H8 1-pentyne a1pentyne  
1410 C5H8 2,3-Pentadiene c591968  
1411 C5H8 Bicyclo[1.1.1]pentane bcp  
1412 C5H8 Cyclobutane, methylene- c1120565  
1413 C5H8 Cyclopentene c142290  
1414 C5H8 Ethenylcyclopropane c693867  
1415 CH3CCCH2CH3 2-Pentyne 2pentyne  
1416 C5H10 1-Butene, 2-methyl- c563462  
1417 C5H10 2-Butene, 2-methyl- c513359  
1418 C5H10 2-Pentene, (E)- c646048  
1419 C5H10 2-Pentene, (Z)- c627203  
1420 C5H10 Cyclopentane c287923  
1421 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1422 CH2CHCH2CH2CH3 1-pentene pentene  
1423 C5H11 2-Methylbut-2-yl radical c4348350  
1424 C5H12 Butane, 2-methyl- buta2  
1425 C5H12 Pentane pentane  
1426 C5H12 Propane, 2,2-dimethyl- neopentane  
1427 Si(CH3)4 tetramethylsilane tms  
1428 N2O3 Dinitrogen trioxide n2o3  
1429 C3H2N2 Malononitrile c3h2n2  
1430 CH2N4 1H-Tetrazole 1htz  
1431 C3H3N2 imidazolyl radical im  
1432 C3H3N2- imidizolyl anion im-  
1433 C2H3N3 1H-1,2,4-Triazole c288880  
1434 C4H4N pyrrolide radical c4h4n  
1435 C4H4N- pyrrolide anion c4h4n-  
1436 C3H4N2 1H-Imidazole 1himidaz  
1437 C3H4N2 1H-Pyrazole 1hpyraz  
1438 C3H4N2 2H-Imidazole imid2h  
1439 C3H4N2 4H-Imidazole imid4h  
1440 C4H5N (E)-2-Butenenitrile c627269  
1441 C4H5N (Z)-2-Butenenitrile c1190767  
1442 C4H5N 2H-pyrrole pyrrole2  
1443 C4H5N 3H-pyrrole pyrrole3  
1444 C4H5N Cyclopropanecarbonitrile c5500210  
1445 C4H5N Pyrrole pyrrole  
1446 CH2CHCH2CN Allylcyanide ch2chch2cn  
1447 C4H6N+ pyrrole, alpha-protonated appyr  
1448 C4H6N+ pyrrole, beta-protonated bppyr  
1449 C4H6N+ pyrrole, protonated ppyr  
1450 C3H6N2 3-Aminopropionitrile c151188  
1451 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1452 CH3CH2CH2CN Butanenitrile c109740  
1453 C5H8 Bicyclo[2.1.0]pentane c185944  
1454 C5H8 Spiropentane c157404  
1455 C4H9N Cyclobutylamine cbam  
1456 C4H9N Pyrrolidine pyrrolidine  
1457 C3H10N2 1,2-Diaminopropane diampr12  
1458 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1459 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1460 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1461 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1462 NH(C2H5)2 diethylamine dea  
1463 NC4H12+ tetramethyl ammonium cation nc4h12+  
1464 C3O2 Carbon suboxide c3o2  
1465 C3O2+ Carbon suboxide cation c3o2+  
1466 B2O3 diboron trioxide b2o3  
1467 MgCO3 Magnesium Carbonate mgco3  
1468 BeCO3 Beryllium Carbonate beco3  
1469 CaCO3 Calcium Carbonate caco3  
1470 ONONO Nitrosyl nitrite onono  
1471 PO4--- phosphate po4---  
1472 SO4-- sulfate so4--  
1473 HOONO2 peroxy nitric acid hoono2  
1474 HSO4- bisulfate anion hso4-  
1475 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1476 C3H2O2 Propiolic acid c3h2o2  
1477 CHOCOOH oxo acetic acid oaa  
1478 CHOOCHO diformyl ether choocho  
1479 H2SO4 Sulfuric acid h2so4  
1480 H2SeO4 Selenic acid h2seo4  
1481 C3H3NO Isoxazole isox  
1482 C3H3NO Oxazole oxazole  
1483 C3H3NS Thiazole thiazole  
1484 CH3C(O)OO acetyl peroxy radical ch3coo2  
1485 CH3NO3 Methyl nitrate ch3no3  
1486 H3PO4 Phosphoric Acid h3po4  
1487 C4H4O Furan furan  
1488 C4H4O+ Furan cation furan+  
1489 CH3COCCH 3-butyn-2-one c1423605  
1490 C4H4S Thiophene furans  
1491 C4H4Se selenophene c4h4se  
1492 C3H4O2 β–Propiolactone beta  
1493 C3H4O2 2-Propenoic acid propenoic2  
1494 C3H4O2 Methyl glyoxal megly  
1495 C3H4O2 propanedial propanedial  
1496 C3H4O2 propenalol propenalol  
1497 HOCHCCHOH allenediol aldiol  
1498 C2H4O3 1,2,3-trioxolane c2h4o3  
1499 C2H4O3 trioxolane124 triox  
1500 HOCH2COOH Hydroxyacetic acid hac  
1501 CH2CHCONH2 Acrylamide c79061  
1502 CH3OCH2CN Methoxyacetonitrile c1738369  
1503 CH5N3S Hydrazinecarbothioamide c79196  
1504 H2NCH2COOH Glycine glycine  
1505 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1506 C4H6O cis-2-butenal butenal2c  
1507 C4H6O Cyclobutanone cbutone  
1508 C4H6O Furan, 2,3-dihydro- furan23h  
1509 C4H6O Furan, 2,5-dihydro- furan25h  
1510 CH2CHOCHCH2 Vinyl ether vinylether  
1511 CHOCHCHCH3 2-Butenal butenal2  
1512 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1513 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1514 CH2CHSCHCH2 Divinyl sulfide divis  
1515 C2H6N2O Urea, methyl- c598505  
1516 C3H6O2 1,3-Dioxolane dioxolane  
1517 CH3CH2COOH Propanoic Acid propanoic  
1518 CH3COOCH3 methyl acetate aame  
1519 HCOOC2H5 Ethyl formate faee  
1520 C2H6O2S Dimethyl sulfone c67710  
1521 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1522 C3H7NO dimethylformamide dmf  
1523 C3H7NO Propanamide propanam  
1524 C2H3OC2H5 Ethene, ethoxy- c109922  
1525 C4H8O Cyclobutanol c2919235  
1526 C4H8O Furan, tetrahydro- thf  
1527 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1528 CH3COCH2CH3 2-Butanone buta2one  
1529 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1530 CHOCH2CH2CH3 Butanal butanal  
1531 C4H8S Thiophene, tetrahydro- tht  
1532 C3H8O2 1,3-Propanediol c504632  
1533 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1534 C3H8O2 Methane, dimethoxy- c109875  
1535 C3H8O2 Propylene glycol c57556  
1536 C3H8S2 1,3-Propanedithiol c109808  
1537 C4H10O 1-Butanol butanol1  
1538 C4H10O 1-Propanol, 2-methyl- c78831  
1539 C4H10O 2-Butanol, (.+/-.)- butanol2  
1540 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1541 C4H10O Ethoxy ethane etoet  
1542 C4H10O Methyl propyl ether meopr  
1543 C4H10O Propane, 2-methoxy- c598538  
1544 C4H10O+ 1-Butanol cation butanol1+  
1545 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1546 C2H5SC2H5 Diethyl sulfide etset  
1547 C4H9SH 1-Butanethiol bush  
1548 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1549 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1550 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1551 FNO3 Fluorine nitrate fno3  
1552 ClONO2 Chlorine nitrate clono2  
1553 BrONO2 Bromine nitrate brono2  
1554 TiCl4 Titanium tetrachloride ticl4  
1555 ClO4- perchlorate anion clo4-  
1556 BF4- tetrafluoroboron anion bf4-  
1557 ClFO3 Perchloryl fluoride clfo3  
1558 SO2F2 Sulfuryl fluoride so2f2  
1559 SO2Cl2 Sulfuryl chloride so2cl2  
1560 F3NO Nitrogen trifluoride oxide f3no  
1561 F3PO Phosphoryl fluoride pf3o  
1562 Cl3PO Phosphoryl chloride pcl3o  
1563 CF4 Carbon tetrafluoride cf4  
1564 CF3Cl Methane, chlorotrifluoro- cf3cl  
1565 SiF4 Silicon tetrafluoride sif4  
1566 CF2Cl2 difluorodichloromethane cf2cl2  
1567 TiF4 Titanium tetrafluoride tif4  
1568 CFCl3 Trichloromonofluoromethane cfcl3  
1569 CF3Br Bromotrifluoromethane cf3br  
1570 GeF4 Germanium tetrafluoride gef4  
1571 CCl4 Carbon tetrachloride ccl4  
1572 CCl4+ Carbon tetrachloride cation ccl4+  
1573 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1574 SiCl4 Silane, tetrachloro- sicl4  
1575 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1576 CF3I trifluoroiodomethane cf3i  
1577 CBrCl3 Methane, bromotrichloro- cbrcl3  
1578 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1579 GeCl4 Germanium Tetrachloride gecl4  
1580 CBr2ClF dibromochlorofluoromethane cbr2clf  
1581 CBr2Cl2 dibromodichloromethane cbr2cl2  
1582 CCl3I trichloroiodomethane ccl3i  
1583 CFBr3 fluorotribromomethane cfbr3  
1584 CFClBrI fluorochlorobromoiodomethane cfclbri  
1585 CBr3Cl tribromochloromethane cbr3cl  
1586 CF2I2 difluorodiiodomethane cf2i2  
1587 CBr4 Carbon tetrabromide cbr4  
1588 CCl2I2 dichlorodiiodomethane ccl2i2  
1589 SiBr4 Silicon tetrabromide sibr4  
1590 CBr3I tribromoiododmethane cbr3i  
1591 GeBr4 Germanium tetrabromide gebr4  
1592 CI4 tetraiodomethane ci4  
1593 SiI4 silicon tetraiodide sii4  
1594 ClOF3 Chlorine trifluoride oxide clof3  
1595 SF4 Sulfur tetrafluoride sf4  
1596 SeF4 Selenium tetrafluoride sef4  
1597 SCl4 Sulfur tetrachloride scl4  
1598 C2HF3 Trifluoroethylene c2hf3  
1599 C2HF3+ Trifluoroethylene cation c2hf3+  
1600 CHClCCl2 Trichloroethylene chclccl2  
1601 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1602 HClO4 perchloric acid hclo4  
1603 HSO3F Fluorosulfonic acid hso3f  
1604 CF3OH trifluoromethanol cf3oh  
1605 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1606 CHClCCHCl 1,3-dichloroallene chclcchcl  
1607 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1608 CHCl2CHO dichloroacetaldehyde chcl2cho  
1609 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1610 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1611 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1612 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1613 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1614 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1615 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1616 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1617 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1618 NH3BCl3 Amminetrichloroboron nh3bcl3  
1619 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1620 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1621 C3H5ClO Oxirane, (chloromethyl)- c106898  
1622 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1623 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1624 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1625 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1626 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1627 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1628 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1629 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1630 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1631 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1632 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1633 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1634 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1635 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1636 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1637 C4H9F 1-fluorobutane butaf1  
1638 CH3CHFCH2CH3 2-fluorobutane butaf2  
1639 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1640 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1641 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1642 XeF4 Xenon tetrafluoride xef4  
1643 C2H2N2O Furazan furazan  
1644 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1645 NH3BF3 Amminetrifluoroboron nh3bf3  
1646 C6H2 hexatriyne c6h2  
1647 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1648 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1649 C6H4 Benzyne benzyne  
1650 C6H5 phenyl phenyl  
1651 C6H5- phenyl anion phenyl-  
1652 C6H6 Prismane prismane  
1653 C6H6 1,2,4,5-Hexatetraene ht1245  
1654 C6H6 2,4-Hexadiyne hexadiyne  
1655 C6H6 3,4-Dimethylenecyclobutene cb34m  
1656 C6H6 Benzene benzene  
1657 C6H6 Benzvalene bv  
1658 C6H6 Dewar Benzene dewar  
1659 C6H6 Hexa-1,5-diene-3-yne hdy153  
1660 C6H6 Trimethylenecycopropane tmcp  
1661 C6H6+ Benzene cation c6h6+  
1662 C6H7+ benzene, protonated c6h7+  
1663 C6H8 (E)-hexa-1,3,5-triene c821078  
1664 C6H8 (E)-hexa-2,3,4-triene c59660650  
1665 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1666 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1667 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1668 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1669 C6H8 3-Methylenecyclopentene c930267  
1670 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1671 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1672 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1673 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1674 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1675 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1676 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1677 C6H10 1,5-Hexadiene c592427  
1678 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1679 C6H10 1-Hexyne hexyne1  
1680 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1681 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1682 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1683 C6H10 2-Hexyne c764352  
1684 C6H10 3-Hexyne hexyne3  
1685 C6H10 cyclohexene cyclohexene  
1686 C6H10 Cyclopentene, 1-methyl- c693890  
1687 C6H10 Cyclopentene, 3-methyl- c1120623  
1688 C6H10 Cyclopentene, 4-methyl- c1759815  
1689 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1690 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1691 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1692 C6H12 (E)-2-Hexene e2hexene  
1693 C6H12 (E)-3-methylpent-2-ene c616126  
1694 C6H12 (E)-hex-3-ene e3hexene  
1695 C6H12 (Z)-3-methylpent-2-ene c922623  
1696 C6H12 (Z)-hex-2-ene z2hexene  
1697 C6H12 (Z)-hex-3-ene z3hexene  
1698 C6H12 2,3-dimethylbut-1-ene c563780  
1699 C6H12 2,3-dimethyl-but-2-ene tmeet  
1700 C6H12 3-methylenepentane c760214  
1701 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1702 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1703 C6H12 Cyclohexane cyclohexane  
1704 C6H12 Cyclopentane, methyl- c96377  
1705 C6H12 Ethylcyclobutane c4806615  
1706 C6H12 hex-1-ene hexene1  
1707 C6H14 Butane, 2,2-dimethyl- buta22  
1708 C6H14 Butane, 2,3-dimethyl- buta23  
1709 C6H14 Hexane hexane  
1710 C6H14 Pentane, 2-methyl- penta2  
1711 C6H14 Pentane, 3-methyl- penta3  
1712 C4N2 2-Butynedinitrile c4n2  
1713 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1714 C4H2N2 Fumaronitrile c4h2n2  
1715 C2H2N4 sym-tetrazine ttz  
1716 C3H3N3 1,3,5-Triazine triazine135  
1717 CH3N5 5-Aminotetrazole c4418615  
1718 C4H4N2 1,3-Diazine diazine13  
1719 C4H4N2 Pyrazine pyrazine  
1720 C4H4N2 Pyridazine pyridazine  
1721 C4H4N2 Succinonitrile c110612  
1722 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1723 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1724 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1725 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1726 C5H5N E-2,4-pentadienenitrile bdcn  
1727 C5H5N Pyridine pyridine  
1728 B3N3H6 borazine borazine  
1729 C6H6 Fulvene fulvene  
1730 C5H6N+ Pyridinium c5h6n  
1731 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1732 C5H7N (E)-2-Pentenenitrile c26294984  
1733 C5H7N (E)-3-Pentenenitrile c16529661  
1734 C5H7N (Z)-2-Pentenenitrile c25899507  
1735 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1736 C5H7N Cyclobutanecarbonitrile c4426113  
1737 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1738 C5H9N Butanenitrile, 2-methyl- c18936179  
1739 C5H9N Pentanenitrile c110598  
1740 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1741 C6H10 Bicyclo[3.1.0]hexane c285585  
1742 C5H11N Cyclopentanamine cypentam  
1743 C5H11N Piperidine piper  
1744 C4H12N2 1,2-Butanediamine c4426486  
1745 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1746 Li2CO3 Lithium Carbonate li2co3  
1747 Na2CO3 Sodium Carbonate na2co3  
1748 C2O4-- oxalate anion c2o4  
1749 MgSO4 Magnesium Sulfate mgso4  
1750 N2O4 Dinitrogen tetroxide n2o4  
1751 C3H2O3 vinylene carbonate vica  
1752 C2H2O4 Oxalic Acid oxalic  
1753 C2H3NO3 Oxamic acid oxamic  
1754 C4H4O2 2(5H)-Furanone furanone  
1755 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1756 C2H4N2O2 Oxalamide oxalamide  
1757 C2H4N2S2 Ethanedithioamide c79403  
1758 C2H4CO3 Ethylene carbonate etco3  
1759 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1760 C3H4S3 1,3-Dithiolane-2-thione c822388  
1761 C2H4O4 Formic acid dimer fadimer  
1762 C4H5NO 3-Methylisoxazole isox3m  
1763 C4H5NO Isoxazole, 5-methyl- c5765446  
1764 C4H5NS 4-Methylthiazole c693958  
1765 C2H5NO3 Nitric acid, ethyl ester c625581  
1766 C5H6O 2H-Pyran pyran2  
1767 C5H6O 2-methylfuran furan2m  
1768 C5H6O 3-Methylfuran furan3m  
1769 C5H6O Pentadienal pdal  
1770 C5H6S Thiophene, 2-methyl- c554143  
1771 C5H6S Thiophene, 3-methyl- c616444  
1772 C4H6O2 γ–Butyrolactone c96480  
1773 C4H6O2 2,3-Butanedione c431038  
1774 C4H6O2 2-Propenoic acid, methyl ester c96333  
1775 C4H6O2 Crotonic Acid crot  
1776 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1777 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1778 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1779 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1780 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1781 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1782 C4H6OS Vinyl sulfoxide c1115157  
1783 CH6N4S Carbonothioic dihydrazide thiacarb  
1784 C2H6N2O2 (E)-Azodioxymethane c37765154  
1785 C2H6N2O2 Dimethylnitroamine c4164287  
1786 C3H6O3 1,3,5-Trioxane trioxane  
1787 C3H6S3 1,3,5-Trithiane c3h6s3  
1788 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1789 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1790 C4H7NO 2-Pyrrolidinone c616455  
1791 C4H7NO Ethoxyacetonitrile etoaccn  
1792 C4H7NO Methacrylamide c79390  
1793 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1794 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1795 C3H7ONO Propyl nitrite prono  
1796 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1797 CH3CH(NH2)COOH Alanine alanine  
1798 CH3NHCH2COOH Sarcosine sarcosine  
1799 NH2CH2CH2COOH β–alanine betaalanine  
1800 NH2COOC2H5 Urethane urethane  
1801 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1802 C5H8O Cyclopentanone c120923  
1803 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1804 C5H8O Methyl cyclopropyl ketone c765435  
1805 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1806 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1807 NH2CONHC2H5 Urea, ethyl- c625525  
1808 C4H8O2 1,3-Dioxane dioxan13  
1809 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1810 C4H8O2 1,4-Dioxane dioxan14  
1811 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1812 C4H8O2 Ethyl acetate c141786  
1813 C4H8OS s-Ethyl thioacetate c625605  
1814 C3H8O3 1,2,3-Propanetriol glycerin  
1815 C3H8O2S (Methylsulfonyl)ethane c594434  
1816 C4H9NO Butanamide c541355  
1817 C4H9NO Propanamide, 2-methyl- c563837  
1818 C5H10O 2-Butanone, 3-methyl- c563804  
1819 C5H10O 2H-Pyran, tetrahydro- c142687  
1820 C5H10O 2-methylbutyraldehyde 2meba  
1821 C5H10O 2-Pentanone mpk  
1822 C5H10O 3-Pentanone dek  
1823 C5H10O Cyclopentanol c96413  
1824 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1825 C5H10O Pentanal pal  
1826 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1827 C5H10S 3-Ethylthio-1-propene c5296628  
1828 C5H10S Cyclopentanethiol c1679078  
1829 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1830 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1831 C4H10O2 1,1-Dimethoxyethane c534156  
1832 C4H10O2 1,3-Butanediol budiol13  
1833 C4H10O2 1,4-Butanediol budiol14  
1834 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1835 C4H10OS Diethyl sulfoxide c70291  
1836 C4H10S2 1,4-Butanedithiol budisl14  
1837 C4H11NO Diethylhydroxylamine c3710847  
1838 C5H12O 1-Butanol, 2-methyl- c137326  
1839 C5H12O 1-Butanol, 3-methyl- c123513  
1840 C5H12O 1-Pentanol pentanol1  
1841 C5H12O 2-Butanol, 3-methyl- c598754  
1842 C5H12O 2-Pentanol peol2  
1843 C5H12O 3-Pentanol pentan3ol  
1844 C5H12O Butane, 1-methoxy- meobu  
1845 C5H12O Propane, 1-ethoxy- proet  
1846 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1847 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1848 C5H12S 1-Butanethiol, 3-methyl- c541311  
1849 C5H12S 1-Pentanethiol c110667  
1850 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1851 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1852 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1853 C5H12S Butane, 1-(methylthio)- c628295  
1854 C5H12S Ethyl propyl sulfide c4110503  
1855 C5H12S Propane, 2-(ethylthio)- c5145993  
1856 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1857 C4F2 difluorobutadiyne c4f2  
1858 ClCOClCO Oxalyl chloride oxcl  
1859 CF3CN Acetonitrile, trifluoro- cf3cn  
1860 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1861 B2F4 Diboron tetrafluoride b2f4  
1862 B2Cl4 Diboron tetrachloride b2cl4  
1863 C2F4 Tetrafluoroethylene c2f4  
1864 C2F4+ Tetrafluoroethylene cation c2f4+  
1865 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1866 CF2CCl2 difluorodichloroethylene cf2ccl2  
1867 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1868 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1869 C2FCl3 fluorotrichloroethene c2fcl3  
1870 C2Cl4 Tetrachloroethylene c2cl4  
1871 C2Br4 tetrabromoethene c2br4  
1872 CF3OF Trifluoromethylhypofluorite cf3of  
1873 SiF5- silicon pentafluoride anion sif5-  
1874 SOF4 Sulfur tetrafluoride oxide sof4  
1875 PF5 Phosphorus pentafluoride pf5  
1876 AsF5 Arsenic pentafluoride asf5  
1877 PCl5 Phosphorus pentachloride pcl5  
1878 SF5 Sulfur pentafluoride sf5  
1879 SF5+ pentafluoro sulfur cation sf5+  
1880 SbCl5 Antimony pentachloride sbcl5  
1881 BrF5 bromine pentafluoride brf5  
1882 ClF5 chlorinepentafluoride clf5  
1883 IF5 pentafluoroiodine if5  
1884 CF3CHO trifluoroacetaldehyde cf3cho  
1885 CCl3CHO trichloroacetaldehyde ccl3cho  
1886 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1887 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1888 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1889 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1890 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1891 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1892 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1893 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1894 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1895 CF3COOH trifluoroacetic acid cf3cooh  
1896 C4H3ClO Furan, 2-chloro fur2cl  
1897 C4H3ClO Furan,3-chloro fur3cl  
1898 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1899 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1900 C4H8Cl2 1,4-Dichlorobutane c110565  
1901 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1902 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1903 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1904 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1905 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1906 C5H11Cl Pentane, 1-chloro- pencl1  
1907 C4H8O2 Butanoic acid bua  
1908 C6H5CH2 benzyl radical benzyl  
1909 C7H7 cycloheptatrienyl radical c7h7  
1910 C7H7+ cycloheptatrienyl cation c7h7+  
1911 C6H5CH3 toluene toluene  
1912 C7H8 cycloheptatriene cht  
1913 C7H8 Norbornadiene norbor  
1914 C7H8 Quadricyclane qucy  
1915 C7H12 Norbornane nor  
1916 C7H14 cycloheptane c7h14  
1917 C7H16 2-methylhexane 2mhex  
1918 C7H16 3-methylhexane hex3m  
1919 C7H16 heptane heptane  
1920 CH(CN)3 tricyanomethane mecn3  
1921 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1922 C6H7N 2-Methylpyridine mp  
1923 C6H5NH2 aniline aniline  
1924 C6H13N 2-Methylpiperidine pip2m  
1925 C6H13N cyclohexanamine cham  
1926 C6H15N triethylamine tea  
1927 N2O5 Dinitrogen pentoxide n2o5  
1928 C4H2O3 Maleic Anhydride malan  
1929 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1930 C5H4O2 furfural furfural  
1931 C6H5O phenoxy radical phenoxy  
1932 C5H5NO 2(1H)-Pyridinone c72762006  
1933 C5H5NO 2(3H)-Pyridinone c9000048  
1934 C5H5NO 2(5H)-Pyridinone c9000037  
1935 C5H5NO 2-Pyridinol c109104  
1936 C5H5NO 3(2H)-Pyridinone c9000004  
1937 C5H5NO 3(4H)-Pyridinone c9000026  
1938 C5H5NO 3(6H)-Pyridinone c9000015  
1939 C5H5NO 3-Pyridinol c109002  
1940 C5H5NO 4(1H)-Pryidinone c9000060  
1941 C5H5NO 4(3H)-Pryidinone c9000059  
1942 C5H5NO 4-Pyridinol c626642  
1943 C6H5OH phenol phenol  
1944 C6H6O 2,4-Cyclohexadienone c24599573  
1945 C6H6O 2,5-Cyclohexadienone c5664335  
1946 C6H5SH Benzenethiol phsh  
1947 HO2CCHNH2CH2OH Serine serine  
1948 C5H8O2 Acetylacetone acac  
1949 C4H8O2S Sulfolane sulfolane  
1950 C7H10 Norbornene norbornene  
1951 CH(C2H3)3 trivinyl methane tvm  
1952 C6H10O cyclohexanone chexo  
1953 C6H12O hexanal c6h12o  
1954 C6H12O Oxepane oxepane  
1955 C3H7OC3H7 di-n-propyl ether propr  
1956 F2CCCF2 tetrafluoroallene pfa  
1957 CF3COO- trifluoro acetate anion cf3coo-  
1958 CF3COF trifluoroacetyl fluoride cf3cof  
1959 CF3COCl trifluoroacetyl chloride cf3cocl  
1960 PF6 Hexafluorophosphate neutral pf6  
1961 PF6- Hexafluorophosphate ion pf6-  
1962 SF6 Sulfur Hexafluoride sf6  
1963 SeF6 Selenium hexafluoride sef6  
1964 SF5Cl sulfur chloropentafluoride sf5cl  
1965 CF3CHF2 pentafluoroethane cf3chf2  
1966 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1967 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1968 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1969 CCl3CHCl2 pentachloroethane ccl3chcl2  
1970 C6H5F Fluorobenzene bzf  
1971 C6H5Cl chlorobenzene bzcl  
1972 C6H5Br bromobenzene bzbr  
1973 C8H6 Calicene calicene  
1974 C6H5CCH phenylacetylene phac  
1975 C8H6 benzocyclobutadiene bcbd  
1976 C8H6 Pentalene pentalene  
1977 C6H5CHCH2 Styrene styrene  
1978 C8H8 cubane cubane  
1979 C8H8 cyclooctatetraene cot  
1980 C6H5CH2CH3 Ethylbenzene etbz  
1981 CH3C6H4CH3 meta-xylene mxylene  
1982 CH3C6H4CH3 paraxylene pxylene  
1983 C8H14 Bicyclo[2.2.2]octane bico222  
1984 C8H16 cyclooctane cyclooct  
1985 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1986 C8H18 Octane c8h18  
1987 C6H5CN phenyl cyanide phcn  
1988 C6H12N2 Triethylenediamine ted  
1989 C4O4-- squarate dianion c4o4--  
1990 S4N4 Tetrasulfur tetranitride s4n4  
1991 S8 Octasulfur s8  
1992 C6H4O2 parabenzoquinone pbq  
1993 C4H4N2O2 Uracil uracil  
1994 C6H5CHO benzaldehyde benzal  
1995 C6H5OCH3 Anisole anisole  
1996 C5H9NO2 Proline proline  
1997 C6H12O2 Methyl pivalate c598981  
1998 C6H12O2 Hexanoic acid hexa  
1999 C4F4 tetrafluorcyclobutadiene c4f4  
2000 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2001 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2002 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2003 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2004 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2005 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2006 C2F6 hexafluoroethane c2f6  
2007 C2Cl6 hexachloroethane c2cl6  
2008 IF7 Iodine heptafluoride if7  
2009 C6H4F2 metadifluorobenzene mdfb  
2010 C6H4F2 orthodifluorobenzene odfb  
2011 C6H4F2 1,4-difluorobenzene pdfb  
2012 C6H4Cl2 1,2-dichlorobenzene dcb12  
2013 C6H4Cl2 1,3-dichlorobenzene dcb13  
2014 C6H4Cl2 1,4-dichlorobenzene dcb14  
2015 C6H5NO nitrosobenzene bzno  
2016 C9H8 Indene indene  
2017 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2018 C9H12 n-propyl benzene prbz  
2019 C9H20 Nonane nonane  
2020 C(CN)4 tetracyanomethane c5n4  
2021 C5H4N4 purine purine  
2022 C8H7N Indole indole  
2023 C3H3N3O3 cyanuric acid cyanuric  
2024 C6H5NO2 Nitrobenzene c6h5no2  
2025 C6H5COOH benzoic acid benzo  
2026 CH3COC6H5 acetophenone acph  
2027 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2028 C3F6 hexafluoropropene c3f6  
2029 C6H3F3 Benzene trifluoride 123 bzf3a  
2030 C8H18O 1-Octanol octanol  
2031 C10H8 Azulene azu  
2032 C10H8 naphthalene naph  
2033 C10H10 bullvalene bullv  
2034 C10H16 adamantane adamantane  
2035 C6N4 Tetracyanoethylene tcne  
2036 C6N4- tetracyanoethylene anion tcne-  
2037 C10H22 Decane decane  
2038 C4F6 perfluorobutadiene c4f6  
2039 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2040 C3F8 perfluoropropane c3f8  
2041 Fe(CO)5 Iron pentacarbonyl ipc  
2042 Fe(C5H5)2 ferrocene fecp2  
2043 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2044 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2045 C12H8 Acenaphthylene acenaph  
2046 C12H8 biphenylene biph  
2047 C12H10 biphenyl biphenyl  
2048 C12H10 Heptalene heptalene  
2049 C6H12O6 Inositol inositol  
2050 C6F6 hexafluorobenzene c6f6  
2051 S2F10 disulphur decafluoride s2f10  
2052 C13H10 Fluorene fluorene  
2053 C14H10 Anthracene anth  
2054 C14H10 Phenanthrene phenanthrene  
2055 C14H14 Bibenzyl bibenzyl  
2056 C12H10N2 azobenzene azobenzene  
2057 C6H5COC6H5 benzophenone benzophenone  
2058 C16H10 Pyrene pyrene  
2059 C18H12 Tetracene tetracene  
2060 C19H16 Triphenylmethane tpm  
2061 C24H12 Coronene coronene  
2062 C60 Buckminsterfullerene c60