return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Resources > Info on Results > Calculations Done > Method and basis set

List of which calculations are completed at CCSD(T)=FULL /6-311G*

Jump to calculations not yet done
count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 He Helium atom 1SKh
3 Li Lithium atom 2SKh
4 Na Sodium atom 2SKh
5 Na+ Sodium atom cation 1SKh
6 LiH Lithium Hydride 1ΣC∞v
7 NaH sodium hydride 1ΣC∞v
8 Be Beryllium atom 1SKh
9 Be+ Beryllium atom cation 2SKh
10 Mg Magnesium atom 1SKh
11 Mg+ Magnesium atom cation 2SKh
12 B Boron atom 2PKh
13 B Boron atom 4PKh
14 B+ Boron atom cation 1SKh
15 Al Aluminum atom 2PKh
16 Al+ Aluminum atom cation 1SKh
17 C Carbon atom 3P0Kh
18 C Carbon atom 3P1Kh
19 C+ Carbon atom cation 2PKh
20 Si Silicon atom 3PKh
21 Si Silicon atom 1SKh
22 Si+ Silicon atom cation 2PKh
23 CH4 Methane 1A1Td
24 N Nitrogen atom 4SKh
25 N Nitrogen atom 2DKh
26 N+ Nitrogen atom cation 3PKh
27 P Phosphorus atom 4SKh
28 NH3 Ammonia 1A1C3v
29 O Oxygen atom 3SKh
30 O+ Oxygen atom cation 4SKh
31 S Sulfur atom 3PKh
32 OH Hydroxyl radical 2ΠC∞v
33 H2O Water 1A1C2v
34 F Fluorine atom 2PKh
35 F+ Fluorine atom cation 3SKh
36 Cl Chlorine atom 2PKh
37 Cl+ Chlorine atom cation 3PKh
38 I Iodine atom 2PKh
39 HF Hydrogen fluoride 1ΣC∞v
40 HCl Hydrogen chloride 1ΣC∞v
41 HI+ Hydrogen iodide cation   
42 Ne Neon atom 1SKh
43 Ne+ Neon atom cation 2PKh
44 Ar Argon atom 1SKh
45 Na2 Sodium diatomic 1ΣgD∞h
46 C2H2 Acetylene 1ΣgD∞h
47 C2H4 Ethylene 1AgD2h
48 C2H6 Ethane 1A1gD3d
49 N2 Nitrogen diatomic 1ΣgD∞h
50 CO Carbon monoxide 1ΣC∞v
51 SiS silicon monosulfide 1ΣC∞v
52 NO Nitric oxide 2ΠC∞v
53 O2 Oxygen diatomic 3ΣgD∞h
54 H2CO Formaldehyde 1A1C2v
55 LiI Lithium Iodide   
56 NaI Sodium Iodide   
57 BF Boron monofluoride 1ΣC∞v
58 F2 Fluorine diatomic 1ΣgD∞h
59 Cl2 Chlorine diatomic 1ΣgD∞h
60 IF Iodine monofluoride 1ΣC∞v
61 ICl Iodine monochloride 1ΣC∞v
62 IBr Iodine monobromide 1ΣC∞v
63 I2 Iodine diatomic 1ΣgD∞h
64 I2+ Iodine diatomic cation 2ΠgD∞v
65 C3H6 Cyclopropane 1A1'D3h
66 CH2CHCH3 Propene 1A'Cs
67 N2O Nitrous oxide 1ΣC∞v
68 CO2 Carbon dioxide 1ΣgD∞h
69 SO2 Sulfur dioxide 1A1C2v
70 ICN Cyanogen iodide 1ΣC∞v
71 CH2FI fluoroiodomethane   
72 CH2I2 Diiodomethane   
73 C2H5I Ethyl iodide   
74 BF3 Borane, trifluoro- 1A'D3h
75 AlF3 Aluminum trifluoride 1A1'D3h
76 NI3 Nitrogen triiodide   
77 PI3 Phosphorus triiodide   
78 CCl3I trichloroiodomethane   
79 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 anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na- Sodium atom anion na-  
20 K Potassium atom k  
21 K- Potassium atom anion k-  
22 K+ Potassium atom cation k+  
23 Cu Copper atom cu  
24 Cu- Copper atom anion cu-  
25 Cu+ Copper atom cation cu+  
26 LiH- lithium hydride anion lih-  
27 LiH+ lithium hydride cation lih+  
28 NaH- sodium hydride anion nah-  
29 NaH+ sodium hydride cation nah+  
30 KH Potassium hydride kh  
31 KH+ Potassium hydrogen cation kh+  
32 CuH Copper monohydride cuh  
33 Be- Beryllium atom anion be-  
34 Mg- Magnesium atom anion mg-  
35 Ca Calcium atom ca  
36 Ca- Calcium atom anion ca-  
37 Ca+ Calcium atom cation ca+  
38 Zn Zinc atom zn  
39 Zn- Zinc atom anion zn-  
40 Zn+ Zinc atom cation zn+  
41 BeH beryllium monohydride beh  
42 BeH- berylium monohydride anion beh-  
43 BeH+ beryllium monohydride cation beh+  
44 MgH magnesium monohydride mgh  
45 MgH- magnesium monohydride anion mgh-  
46 MgH+ magnesium monohydride cation mgh+  
47 CaH Calcium monohydride cah  
48 CaH+ Calcium monohydride cation cah+  
49 TiH Titanium monohydride tih  
50 ZnH Zinc monohydride znh  
51 ZnH+ Zinc, protonated znh+  
52 BeH2 beryllium dihydride beh2  
53 BeH2+ Beryllium dihydride cation beh2+  
54 MgH2 magnesium dihydride mgh2  
55 CaH2 Calcium Hydride cah2  
56 ZnH2 Zinc hydride znh2  
57 B- Boron atom anion b-  
58 Al- Aluminum atom anion al-  
59 Sc Scandium atom sc  
60 Sc+ Scandium cation sc+  
61 Ga Gallium atom ga  
62 Ga- Gallium atom anion ga-  
63 Ga+ Gallium atom cation ga+  
64 BH Boron monohydride bh  
65 BH- boron monohydride anion bh-  
66 BH+ boron monohydride cation bh+  
67 AlH aluminum monohydride alh  
68 AlH- aluminum monohydride anion alh-  
69 AlH+ aluminum monohydride cation alh+  
70 ScH Scandium monohydride sch  
71 ScH+ Scandium monohydride cation sch+  
72 GaH Gallium monohydride gah  
73 GaH+ Gallium monohydride cation gah+  
74 BH2 boron dihydride bh2  
75 BH2- boron dihydride anion bh2-  
76 BH2+ Boron dihydride cation bh2+  
77 AlH2 aluminum dihydride alh2  
78 AlH2- aluminum dihydride anion alh2-  
79 AlH2+ aluminum dihydride cation alh2+  
80 BH3 boron trihydride bh3  
81 BH3- boron trihydride anion bh3-  
82 BH3+ boron trihydride cation bh3+  
83 AlH3 aluminum trihydride alh3  
84 AlH3- aluminum trihydride anion alh3-  
85 AlH3+ aluminum trihydride cation alh3+  
86 ScH3 Scandium trihydride sch3  
87 GaH3 Gallium trihydride gah3  
88 BH4 borohydride bh4  
89 BH4- borohydride anion bh4-  
90 AlH4- Aluminum tetrahydride anion alh4-  
91 C- Carbon atom anion c-  
92 Si- Silicon atom anion si-  
93 Ti Titanium atom ti  
94 Ti- Titanium atom anion ti-  
95 Ti+ Titanium atom cation ti+  
96 Ge Germanium atom ge  
97 Ge- Germanium anion ge-  
98 Ge+ Germanium cation ge+  
99 Sn Tin atom sn  
100 Sn+ Tin cation sn+  
101 CH Methylidyne ch  
102 CH- methylidyne anion ch-  
103 CH+ Methylidyne cation ch+  
104 SiH Silylidyne sih  
105 SiH- silicon monohydride anion sih-  
106 SiH+ silicon monohydride cation sih+  
107 GeH germylidene geh  
108 GeH+ Germaniun monohyrdide cation geh+  
109 CH2 Methylene ch2  
110 CH2- methylene anion ch2-  
111 CH2+ methylene cation ch2+  
112 SiH2 silicon dihydride sih2  
113 SiH2- silicon dihydride anion sih2-  
114 SiH2+ silicon dihydride cation sih2+  
115 GeH2 germylene geh2  
116 GeH2- germylene anion geh2-  
117 CH3 Methyl radical ch3  
118 CH3- methyl anion ch3-  
119 CH3+ methyl cation ch3+  
120 SiH3 Silyl radical sih3  
121 SiH3- Silyl anion sih3-  
122 SiH3+ Silyl cation sih3+  
123 GeH3 Germyl radical geh3  
124 GeH3+ germyl cation geh3+  
125 CD4 methane-d4 cd4  
126 CH2D2 methane-d2 ch2d2  
127 CH3D methane-d ch3d  
128 CH4- Methane anion ch4-  
129 CH4+ Methane cation ch4+  
130 CHD3 methane-d3 chd3  
131 SiH2D2 silane-d2 sih2d2  
132 SiH4 Silane sih4  
133 SiH4+ Silane cation sih4+  
134 GeH4 Germane geh4  
135 SnH4 Stannane snh4  
136 SiH5+ Silane, protonated sih5+  
137 N- Nitrogen atom anion n-  
138 P- Phosphorus atom anion p-  
139 P+ Phosphorus atom cation p+  
140 V Vanadium atom v  
141 V+ Vanadium atom cation v+  
142 As Arsenic atomic as  
143 As- Arsenic anion as-  
144 As+ Arsenic cation as+  
145 Sb Antimony atom sb  
146 NH Imidogen nh  
147 NH- Imidogen anion nh-  
148 NH+ imidogen cation nh+  
149 PH phosphorus monohydride ph  
150 PH- phosphorus monohydride anion ph-  
151 PH+ phosphorus monohydride cation ph+  
152 AsH Arsenic monohydride ash  
153 AsH+ Arsenic monohydride cation ash+  
154 SbH Antimony monohydride sbh  
155 ND2 Amidogen-d2 nd2  
156 NH2 Amino radical nh2  
157 NH2- amino anion nh2-  
158 NH2+ Amino cation nh2+  
159 PH2 Phosphino radical ph2  
160 PH2- Phosphino anion ph2-  
161 PH2+ Phosphino cation ph2+  
162 AsH2 Arsenic dihydride ash2  
163 AsH2+ Arsenic dihydride cation ash2+  
164 ND3 Ammonia-d3 nd3  
165 NH3- Ammonia anion nh3-  
166 NH3+ ammonia cation nh3+  
167 PH3 Phosphine ph3  
168 PH3+ Phosphine cation ph3+  
169 AsH3 Arsine ash3  
170 AsH3+ Arsine cation ash3+  
171 SbH3 Stibine sbh3  
172 AsH4+ Arsonium ash4+  
173 NH4 Ammonium radical nh4  
174 NH4+ ammonium cation nh4+  
175 PH4 Phosphoranyl radical ph4  
176 PH4+ phosphonium cation ph4+  
177 O- Oxygen atom anion o-  
178 S- Sulfur atom anion s-  
179 S+ Sulfur atom cation s+  
180 Cr Chromium atom cr  
181 Se Selenium atom se  
182 Se- Selenium atom anion se-  
183 Se+ Selenium atom cation se+  
184 Te Tellurium atom te  
185 Te+ Tellurium atom cation te+  
186 DO Hydroxyl-d od  
187 OH- hydroxide anion oh-  
188 OH+ hydoxyl cation oh+  
189 DS Mercapto-d ds  
190 HS Mercapto radical hs  
191 HS- mercapto anion sh-  
192 HS+ sulfur monohydride cation sh+  
193 CrH Chromium hydride crh  
194 CrH+ Chromium hydride cation crh+  
195 HSe Selenium monohydride hse  
196 HSe- selenium monohydride anion hse-  
197 HSe+ selenium monohydride cation hse+  
198 TeH Telluryl radical teh  
199 D2O Deuterium oxide d2o  
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 H2Se Hydrogen selenide h2se  
208 H2Se+ Hydrogen selenide cation h2se+  
209 H2Te Hydrogen Telluride h2te  
210 H3O+ hydronium cation h3o+  
211 H3S+ Sulfonium cation h3s+  
212 H3Se+ Hydrogen Selenide, protonated h3se+  
213 F- Fluorine atom anion f-  
214 Cl- Chlorine atom anion cl-  
215 Mn Manganese atom mn  
216 Br Bromine atom br  
217 Br- Bromine atom anion br-  
218 Br+ Bromine atom cation br+  
219 I- Iodine atom anion iodine-  
220 I+ Iodine atom cation iodine+  
221 DF Hydrofluoric acid-d df  
222 HF- hydrogen fluoride anion hf-  
223 HF+ hydrogen fluoride cation hf+  
224 DCl Hydrochloric acid-d dcl  
225 HCl- hydrogen chloride anion hcl-  
226 HCl+ hydrogen chloride cation hcl+  
227 HBr hydrogen bromide hbr  
228 HBr- hydrogen bromide anion hbr-  
229 HBr+ hydrogen bromide cation hbr+  
230 HI Hydrogen iodide hi  
231 H2F+ dihydrogen fluoride cation h2f+  
232 H2Cl+ dihydrogen monochloride cation h2cl+  
233 H2Br+ protonated hydrogen bromide h2br+  
234 H2I+ Iodonium h2i+  
235 Ne- Neon atom anion ne-  
236 Ar- Argon atom anion ar-  
237 Ar+ Argon atom cation ar+  
238 Fe Iron atom fe  
239 Kr Krypton atom kr  
240 Kr+ Krypton cation kr+  
241 Xe Xenon atom xe  
242 HeLi+ Helium Lithium cation heli+  
243 NeH neon hydrogen neh  
244 NeH+ neon hydrogen cation neh+  
245 ArH+ Argon hydride cation arh+  
246 KrH+ Protonated Krypton krh+  
247 XeH+ Xenon, protonated xeh+  
248 H2Ar H2 Ar dimer h2ar  
249 Co Cobalt atom cobalt  
250 Ni Nickel atom ni  
251 Li2 Lithium diatomic li2  
252 Li2- lithium diatomic anion li2-  
253 Li2+ lithium diatomic cation li2+  
254 NaLi lithium sodium lina  
255 NaLi- lithium sodium anion lina-  
256 NaLi+ lithium sodium cation lina+  
257 LiK Lithium Potassium lik  
258 Na2- sodium diatomic anion na2-  
259 Na2+ sodium diatomic cation na2+  
260 NaK Sodium Potassium nak  
261 NaK+ Sodium Potassium diatomic cation nak+  
262 K2 Potassium diatomic k2  
263 Cu2 Copper diatomic cu2  
264 LiBe Lithium Beryllium libe  
265 LiMg Lithium magnesium limg  
266 NaBe Sodium Beryllium nabe  
267 NaMg Sodium Magnesium namg  
268 Be2 Beryllium diatomic be2  
269 Be2- Beryllium diatomic anion be2-  
270 Be2+ Beryllium diatomic cation be2+  
271 BeMg Beryllium Magnesium bemg  
272 Mg2 Magnesium diatomic mg2  
273 Mg2- magnesium diatomic anion mg2-  
274 Mg2+ magnesium diatomic cation mg2+  
275 Ca2 Calcium diatomic ca2  
276 LiB Lithium boride lib  
277 LiAl Lithium Aluminum lial  
278 NaAl Sodium aluminum naal  
279 BeB Beryllium monoboride beb  
280 B2 Boron diatomic b2  
281 B2- Boron diatomic anion b2-  
282 B2+ Boron diatomic cation b2+  
283 BAl Boron Aluminum bal  
284 Al2 Aluminum diatomic al2  
285 Al2- aluminum diatomic anion al2-  
286 Al2+ aluminum diatomic cation al2+  
287 BGa Boron Gallium bga  
288 AlGa Aluminum Gallium alga  
289 Ga2 Gallium diatomic ga2  
290 HBBH Diborane(2) hbbh  
291 LiBH4 Lithium borohydride libh4  
292 B2H4 Diborane(4) D2d b2h4  
293 HBHHBH Diborane(4) C2V hbhhbh  
294 B2H6 Diborane b2h6  
295 B2H6+ Diborane cation b2h6  
296 Al2H6 dialane al2h6  
297 Ga2H6 digallane ga2h6  
298 LiC Lithium Carbide lic  
299 BeC Beryllium Carbide bec  
300 CaC Calcium monocarbide cac  
301 BC boron monocarbide bc  
302 BC- boron monocarbide anion bc-  
303 BC+ boron monocarbide cation bc+  
304 AlC Aluminum carbide alc  
305 BSi Boron silicide bsi  
306 C2 Carbon diatomic c2  
307 C2- carbon diatomic anion c2-  
308 C2+ carbon diatomic cation c2+  
309 SiC silicon monocarbide sic  
310 SiC- silicon monocarbide anion sic-  
311 SiC+ silicon monocarbide cation sic+  
312 Si2 Silicon diatomic si2  
313 Si2- silcon diatomic anion si2-  
314 Si2+ silcon diatomic cation si2+  
315 GeC Germanium monocarbide gec  
316 SiGe Silicon Germanium sige  
317 Ge2 Germanium diatomic ge2  
318 C2H Ethynyl radical c2h  
319 C2H- Ethynyl anion c2h-  
320 C2H+ Ethynyl cation c2h+  
321 ZnCH2 Zinc methylene znch2  
322 C2H2+ acetylene cation c2h2+  
323 CCH2 vinylidene vinylidene  
324 H2CC- vinylidene anion h2cc-  
325 HCCH- acetylene anion c2h2-  
326 Si2H2 disilyne si2h2  
327 CH3Li methyl lithium ch3li  
328 CuCH3 monomethyl copper cuch3  
329 ZnCH3 Zinc monomethyl znch3  
330 CH2BH methyleneborane ch2bh  
331 C2H3 vinyl c2h3  
332 C2H3- vinyl anion c2h3-  
333 C2H3+ vinyl cation c2h3+  
334 C2H4- Ethylene anion c2h4-  
335 C2H4+ Ethylene cation c2h4+  
336 CH3CH methylmethylene ch3ch  
337 CH2SiH2 silaethylene ch2sih2  
338 Si2H4 Disilene si2h4  
339 CH3BH2 methylborane ch3bh2  
340 C2H5 Ethyl radical c2h5  
341 C2H5- Ethyl anion c2h5-  
342 C2H5+ Ethyl cation c2h5+  
343 C2H6+ ethane cation c2h6+  
344 CH3SiH3 methyl silane ch3sih3  
345 Si2H6 disilane si2h6  
346 GeH3CH3 methyl germane geh3ch3  
347 C2H7+ Ethane, protonated c2h7+  
348 LiN Lithium Nitride lin  
349 LiN+ Lithium Nitride cation lin+  
350 LiP Lithium monophosphide lip  
351 BeN Beryllium mononitride ben  
352 BeN- Beryllium mononitride anion ben-  
353 BeN+ Beryllium mononitride cation ben+  
354 MgN Magnesium Nitride mgn  
355 BN- boron nitride anion bn-  
356 AlN- aluminum mononitride anion aln-  
357 AlN+ aluminum mononitride cation aln+  
358 BP Boron monophosphide bp  
359 AlP Aluminum monophosphide alp  
360 GaN Gallium mononitride gan  
361 GaP Gallium monophosphide gap  
362 GaAs Gallium arsenide gaas  
363 BN boron nitride bn  
364 BN+ boron nitride cation bn+  
365 AlN Aluminum nitride aln  
366 CN Cyano radical cn  
367 CN- cyanide anion cn-  
368 CN+ Cyano cation cn+  
369 CP Carbon monophosphide cp  
370 CP- carbon monophosphide anion cp-  
371 CP+ carbon monophosphide cation cp+  
372 SiN Silicon nitride sin  
373 SiN- silicon mononitride anion sin-  
374 SiN+ silicon mononitride cation sin+  
375 SiP Silicon monophosphide sip  
376 SiP- Silicon monophosphide anion sip-  
377 SiP+ Silicon monophosphide cation sip+  
378 TiN Titanium mononitride tin  
379 N2- nitrogen diatomic anion n2-  
380 N2+ diatomic nitrogen cation n2+  
381 PN Phosphorus mononitride pn  
382 PN- phosphorus nitride anion pn-  
383 PN+ phosphorus nitride cation pn+  
384 P2 Phosphorus diatomic p2  
385 P2- phosphorus diatomic anion p2-  
386 P2+ phosphorus diatomic cation p2+  
387 AsN Arsenic mononitride asn  
388 AsP Arsenic monophosphide asp  
389 SbN Antimony nitride sbn  
390 As2 Arsenic diatomic as2  
391 HNB hydrogen nitrogen boron hnb  
392 HNC hydrogen isocyanide hnc  
393 HCN Hydrogen cyanide hcn  
394 HCN- Hydrogen cyanide anion hcn-  
395 HCN+ hydrogen cyanide cation hcn+  
396 HNC+ hydrogen isocyanide cation hnc+  
397 HCP Phosphaethyne hcp  
398 HCP+ Phosphaethyne cation hcp+  
399 NNH Dinitrogen monohydride nnh  
400 NNH+ Dinitrogen monohydride cation nnh+  
401 HPO Hydrogen phosphorus oxide hpo  
402 HPO+ Hydrogen phosphorus oxide cation hpo+  
403 LiNH2 lithium amide linh2  
404 HBNH Boranimine hbnh  
405 CNH2 Aminomethylidyne radical cnh2  
406 CNH2+ N-protonated hydrogen isocyanide cnh2+  
407 H2CN Dihydrogen cyanide radical h2cn  
408 H2CN+ hydrocyanonium cation h2cn+  
409 HCNH methyleneazane hcnh  
410 HCNH+ N-protonated HCN hcnh+  
411 H2NN Isodiazene h2nn  
412 N2H2 (E)-diazene n2h2  
413 N2H2 (Z)-Diazene n2h2z  
414 N2H2+ trans-diazene cation n2h2+  
415 CH2NH Methanimine ch3n  
416 CH2NH+ Methanimine cation ch2nh+  
417 CHNH2 aminomethylene chnh2  
418 CHNH2+ Aminocarbene cation chnh2+  
419 CH2PH Phosphaethene ch3p  
420 BH2NH2 Boranamine bh2nh2  
421 CH2NH2+ methyleneamine cation ch2nh2+  
422 N2H4 Hydrazine n2h4  
423 N2H4+ hydrazine cation n2h4+  
424 P2H4 Diphosphine p2h4  
425 CH3NH2 methyl amine ch3nh2  
426 CH3NH2+ methyl amine cation ch3nh2+  
427 CH3PH2 Methyl phosphine ch3ph2  
428 SiH3NH2 Silane, amino sih3nh2  
429 N2H5+ protonated hydrazine n2h5+  
430 BH3PH3 borane phosphine bh3ph3  
431 BH3NH3 borane ammonia bh3nh3  
432 CH3NH3 methyl ammonium radical ch3nh3  
433 CH3NH3+ protonated methylamine ch3nh3+  
434 CH3PH3+ methyl phosphine, protonated ch3ph3+  
435 NH3NH3 Ammonia Dimer nh3nh3  
436 N2H7+ ammonia ammonium dimer n2h7+  
437 LiO lithium oxide lio  
438 LiO- lithium oxide anion lio-  
439 LiO+ lithium oxide cation lio+  
440 LiS Lithium monosulfide lis  
441 LiS+ Lithium sulfide cation lis+  
442 NaO sodium monoxide nao  
443 NaO- sodium oxide anion nao-  
444 NaO+ sodium oxide cation nao+  
445 KO Potassium monoxide ko  
446 KO+ Potassium monoxide cation ko+  
447 NaS Sodium sulfide nas  
448 CuO Copper Monoxide cuo  
449 LiSe Lithium monoselenide lise  
450 BeO beryllium oxide beo  
451 BeO- Beryllium monoxide anion beo-  
452 BeO+ Beryllium monoxide cation beo+  
453 BeS beryllium sulfide bes  
454 MgO magnesium oxide mgo  
455 MgO- magnesium oxide anion mgo-  
456 MgO+ magnesium oxide cation mgo+  
457 CaO Calcium monoxide cao  
458 MgS magnesium sulfide mgs  
459 MgS- magnesium sulfide anion mgs-  
460 MgS+ magnesium sulfide cation mgs+  
461 CaS Calcium sulfide cas  
462 ZnO zinc monoxide zno  
463 ZnS Zinc sulfide zns  
464 BeS- Beryllium monosulfide anion bes-  
465 BeS+ Beryllium monosulfide cation bes+  
466 BO boron monoxide bo  
467 BO- boron monoxide anion bo-  
468 AlO Aluminum monoxide alo  
469 AlO- Aluminum monoxide anion alo-  
470 AlO+ aluminum monoxide cation alo+  
471 BS boron sulfide bs  
472 BS- boron monosulfide anion bs-  
473 BS+ boron monosulfide cation bs+  
474 AlS Aluminum sulfide als  
475 AlS- aluminum monosulfide anion als-  
476 AlS+ aluminum monosulfide cation als+  
477 ScO Scandium monoxide sco  
478 GaO Gallium monoxide gao  
479 GaS Gallium monosulfide gas  
480 BO+ boron monoxide cation bo+  
481 CO- carbon monoxide anion co-  
482 CO+ carbon monoxide cation co+  
483 CS carbon monosulfide cs  
484 CS- carbon monosulfide anion cs-  
485 CS+ carbon monosulfide cation cs+  
486 SiO Silicon monoxide sio  
487 SiO- silicon monoxide anion sio-  
488 SiO+ silicon monoxide cation sio+  
489 SiS- silicon monosulfide anion sis-  
490 SiS+ silicon monosulfide cation sis+  
491 TiO Titanium monoxide tio  
492 CSe Carbon monoselenide cse  
493 CSe- Carbon monoselenide anion cse-  
494 CSe+ Carbon monoselenide cation cse+  
495 GeO Germanium monoxide geo  
496 GeO+ Germanium monoxide cation geo+  
497 GeS Germanium monosulfide ges  
498 SiSe Silicon Monoselenide sise  
499 SiSe+ Silicon Monoselenide cation sise+  
500 GeSe Germanium monoselenide gese  
501 NO- nitric oxide anion no-  
502 NO+ nitric oxide cation no+  
503 NS Mononitrogen monosulfide ns  
504 NS- nitrogen sulfide anion ns-  
505 NS+ nitrogen sulfide cation ns+  
506 PO Phosphorus monoxide po  
507 PO- phosphorus monoxide anion po-  
508 PO+ phosphorus monoxide cation po+  
509 PS phosphorus sulfide ps  
510 PS- phosphorus monosulfide anion ps-  
511 PS+ phosphorus monosulfide cation ps+  
512 VO Vanadium monoxide vo  
513 AsO Arsenic monoxide aso  
514 NSe Nitrogen monoselenide nse  
515 AsS Arsenic monosulfide ass  
516 PSe Phosphorus monoselenide pse  
517 AsSe Arsenic monoselenide asse  
518 O2- oxygen diatomic anion o2-  
519 O2-- dioxygen dianion o2--  
520 O2+ diatomic oxygen cation o2+  
521 SO Sulfur monoxide so  
522 SO- sulfur monoxide anion so-  
523 SO+ sulfur monoxide cation so+  
524 S2 Sulfur diatomic s2  
525 S2- sulfur diatomic anion s2-  
526 S2+ sulfur diatomic cation s2+  
527 SeO Selenium monoxide seo  
528 SeO- selenium monoxide anion seo-  
529 SeO+ selenium monoxide cation seo+  
530 SeS Selenium monosulfide ses  
531 SeS- selenium monosulfide anion ses-  
532 SeS+ selenium monosulfide cation ses+  
533 TeO Tellurium monoxide teo  
534 Se2 Selenium diatomic se2  
535 Se2- selenium diatomic anion se2-  
536 Se2+ selenium diatomic cation se2+  
537 Te2 Tellurium diatomic te2  
538 LiOH lithium hydroxide lioh  
539 NaOH sodium hydroxide naoh  
540 KOH Potassium hydroxide koh  
541 BeOH beryllium monohydroxide beoh  
542 MgOH magnesium hydroxide mgoh  
543 CaOH Calcium monohydroxide caoh  
544 HBO Boron hydride oxide hbo  
545 HBS hydrogen boron sulfide hbs  
546 COH Hydroxymethylidyne coh  
547 COH+ Carbon Monoxide, protonated coh+  
548 HCO Formyl radical hco  
549 HCO- formyl anion hco-  
550 HCO+ Formyl cation hco+  
551 HCS Thioformyl radical hcs  
552 HCS- Thioformyl anion hcs-  
553 HCS+ Thioformyl cation hcs+  
554 HNO Nitrosyl hydride hno  
555 HNO- Nitrosyl hydride anion hno-  
556 HNO+ Nitrosyl hydride cation hno+  
557 NOH Hydroxyimidogen noh  
558 NOH+ O-protonated nitric oxide noh+  
559 HNS Sulfur imide hns  
560 HNS- Sulfur imide anion hns-  
561 HO2 Hydroperoxy radical ho2  
562 HO2- Hydroperoxy anion ho2-  
563 HO2+ Hydroperoxy cation ho2+  
564 HSO+ Sulfur Monoxide, S-protonated HSO+  
565 SOH Sulfur Hydroxide soh  
566 SOH+ Sulfur Monoxide, protonated soh+  
567 HS2 Thiosulfeno radical hs2  
568 H2CO- formaldehyde anion h2co-  
569 H2CO+ formaldehyde cation h2co+  
570 HOCH hydroxycarbene hoch  
571 H2CS Thioformaldehyde h2cs  
572 H2CS- thioformaldehyde anion h2cs-  
573 H2CS+ thioformaldehyde cation h2cs+  
574 H2CSe Selenoformaldehyde h2cse  
575 H2NO nitroxide h2no  
576 H2O2 Hydrogen peroxide h2o2  
577 H2O2+ Hydrogen peroxide cation h2o2+  
578 H2OO water oxide h2oo  
579 HOSH hydrogen thioperoxide hosh  
580 H2S2 Disulfane h2s2  
581 H2S2+ hydrogen disulfide cation h2s2+  
582 H2Se2 hydrogen diselenide h2se2  
583 CH2OH Hydroxymethyl radical ch2oh  
584 CH2OH+ hydroxymethyl cation ch2oh+  
585 CH3O Methoxy radical ch3o  
586 CH3O- methoxy anion ch3o-  
587 CH3O+ Methoxy cation ch3o+  
588 CH3S thiomethoxy ch3s  
589 H2CSH+ Thioformaldehyde, protonated h2csh+  
590 NH2OH hydroxylamine nh2oh  
591 NH2OH+ Hydroxylamine cation nh2oh+  
592 NH3O Ammonia Oxide nh3o  
593 H2POH Phosphinous acid h2poh  
594 H3PO Phosphine oxide h3po  
595 NH2SH Thiohydroxylamine nh2sh  
596 NH3S sulfidoazane nh3s  
597 H3O2+ hydrogen peroxide, protonated h3o2+  
598 CH3OH Methyl alcohol ch3oh  
599 CH3OH- Methyl alcohol anion ch3oh-  
600 CH3OH+ Methyl alcohol cation ch3oh+  
601 CH3SH Methanethiol ch3sh  
602 CH3SH+ Methanethiol cation ch3sh+  
603 SiH3OH silanol sih3oh  
604 CH3SeH Methane selenol ch3seh  
605 NH2OH2+ protonated hydroxylamine nh2oh2+  
606 NH3OH+ N-protonated hydroxylamine nh3oh+  
607 H2OH2O water dimer h2oh2o  
608 CH3OH2+ Methanol, protonated ch3oh2+  
609 CH3SH2+ protonated methylsulfide ch3sh2+  
610 H2ONH3 Water Ammonia Dimer h2onh3  
611 H5O2+ Dihydroxonium ion h5o2+  
612 LiF lithium fluoride lif  
613 LiCl lithium chloride licl  
614 LiCl- lithium chloride anion licl-  
615 LiCl+ lithium chloride cation licl+  
616 NaF sodium fluoride naf  
617 NaF- sodium fluoride anion naf-  
618 NaF+ sodium fluoride cation naf+  
619 KF Potassium Fluoride kf  
620 NaCl Sodium Chloride nacl  
621 NaCl- sodium chloride anion nacl-  
622 NaCl+ sodium chloride cation nacl+  
623 KCl Potassium Chloride kcl  
624 CuF Copper monofluoride cuf  
625 LiBr Lithium Bromide libr  
626 LiBr- lithium bromide anion libr-  
627 LiBr+ lithium bromide cation libr+  
628 CuCl Copper monochloride cucl  
629 NaBr Sodium Bromide nabr  
630 NaBr- sodium bromide anion nabr-  
631 NaBr+ sodium bromide cation nabr+  
632 KBr Potassium Bromide kbr  
633 KI Potassium Iodide ki  
634 LiF- lithium fluoride anion lif-  
635 LiF+ lithium fluoride cation lif+  
636 BeF Beryllium monofluoride bef  
637 BeF- Beryllium monofluoride anion bef-  
638 BeF+ Beryllium monofluoride cation bef+  
639 BeCl beryllium monochloride becl  
640 MgF Magnesium monofluoride mgf  
641 MgF- magnesium fluoride anion mgf-  
642 MgF+ magnesium fluoride cation mgf+  
643 CaF Calcium monofluoride caf  
644 MgCl magnesium monochloride mgcl  
645 MgCl- magnesium monochloride anion mgcl-  
646 MgCl+ magnesium monochloride cation mgcl+  
647 CaCl calcium monochloride cacl  
648 TiCl Titanium Monochloride ticl  
649 ZnF Zinc monofluoride znf  
650 ZnF- Zinc monofluoride anion znf-  
651 ZnF+ Zinc monofluoride cation znf+  
652 ZnCl Zinc monochloride zncl  
653 CaBr Calcium monobromide cabr  
654 BeCl- beryllium monochloride anion becl-  
655 BeCl+ beryllium monochloride cation becl+  
656 BF- Boron monofluoride anion bf-  
657 BF+ Boron monofluoride cation bf+  
658 AlF Aluminum monofluoride alf  
659 AlF- Aluminum monofluoride anion alf-  
660 AlF+ Aluminum monofluoride cation alf+  
661 BCl boron monochloride bcl  
662 BCl- boron monochloride anion bcl-  
663 BCl+ boron monochloride cation bcl+  
664 AlCl Aluminum monochloride alcl  
665 AlCl- aluminum monochloride anion alcl-  
666 AlCl+ aluminum monochloride cation alcl+  
667 ScF Scandium monofluoride scf  
668 BBr Boron monobromide bbr  
669 GaF Gallium monofluoride gaf  
670 GaF+ Gallium monofluoride cation gaf+  
671 AlBr Aluminum monobromide albr  
672 GaCl Gallium monochloride gacl  
673 GaCl+ Gallium monochloride cation gacl+  
674 AlI Aluminum monoiodide ali  
675 GaBr Gallium monobromide gabr  
676 CF Fluoromethylidyne cf  
677 CF- carbon monofluoride anion cf-  
678 CF+ carbon monofluoride cation cf+  
679 CCl carbon monochloride ccl  
680 CCl- carbon monochloride anion ccl-  
681 CCl+ carbon monochloride cation ccl+  
682 SiF silicon monofluoride sif  
683 SiF- silicon monofluoride anion sif-  
684 SiF+ silicon monofluoride cation sif+  
685 SiCl Clorosilylidyne sicl  
686 SiCl- silicon monochloride anion sicl-  
687 SiCl+ silicon monochloride cation sicl+  
688 CBr Carbon monobromide cbr  
689 GeF Germanium monofluoride gef  
690 GeF+ Germanium monofluoride cation gef+  
691 GeCl Germanium monochloride gecl  
692 GeCl+ Germanium monochloride cation gecl+  
693 SiBr Silicon monobromide sibr  
694 SiBr+ Silicon monobromide cation sibr+  
695 NF nitrogen fluoride nf  
696 NF- nitrogen monofluorine anion nf-  
697 NF+ nitrogen monofluoirde cation nf+  
698 NCl nitrogen monochloride ncl  
699 NCl- nitrogen monochloride anion ncl-  
700 NCl+ nitrogen monochloride cation ncl+  
701 PF phosphorus monofluoride pf  
702 PF- phosphorus monofluoride anion pf-  
703 PF+ phosphorus monofluoride cation pf+  
704 PCl phosphorus chloride pcl  
705 PCl- phosphorus monochloride anion pcl-  
706 PCl+ phosphorus monochloride cation pcl+  
707 AsF Arsenic monofluoride asf  
708 NBr nitrogen monobromide nbr  
709 AsCl Arsenic monochloride ascl  
710 PBr Phosphorus monobromide pbr  
711 SbF Antimony monofluoride sbf  
712 SbCl Antimony monochloride sbcl  
713 FO Oxygen monofluoride fo  
714 FO- flourine oxide anion fo-  
715 FO+ fluorine monoxide cation fo+  
716 ClO Monochlorine monoxide clo  
717 ClO- chlorine monoxide anion clo-  
718 ClO+ chlorine monoxide cation clo+  
719 SF Monosulfur monofluoride sf  
720 SF- sulfur monofluoride anion sf-  
721 SF+ sulfur monofluoride cation sf+  
722 SCl sulfur monochloride scl  
723 SCl- sulfur monochloride anion scl-  
724 SCl+ sulfur monochloride cation scl+  
725 BrO Bromine monoxide bro  
726 BrO- Bromine monoxide anion bro-  
727 BrO+ Bromine monoxide cation bro+  
728 SeF Selenium monofluoride sef  
729 SBr Sulfur monobromide radical sbr  
730 SBr+ Sulfur monobromide cation sbr+  
731 SeCl Selenium monochloride secl  
732 IO Iodine monoxide io  
733 SeBr Selenium monobromide sebr  
734 BrCl Bromine monochloride brcl  
735 F2- flourine diatomic anion f2-  
736 F2+ flourine diatomic cation f2+  
737 ClF Chlorine monofluoride clf  
738 ClF- clorine monofluoride anion clf-  
739 ClF+ clorine monofluoride cation clf+  
740 Cl2- chlorine diatomic anion cl2-  
741 Cl2+ chlorine diatomic cation cl2+  
742 BrF Bromine monofluoride brf  
743 BrF- bromine fluoride anion brf-  
744 BrF+ bromine fluoride cation brf+  
745 BrCl- bromine chloride anion brcl-  
746 BrCl+ bromine chloride cation brcl+  
747 Br2 Bromine diatomic br2  
748 Br2- bromine diatomic anion br2-  
749 Br2+ bromine diatomic cation br2+  
750 HCF Fluoromethylene hcf  
751 HCCl Chloromethylene hccl  
752 HSiF fluorosilylene hsif  
753 HSiCl Chlorosilylene hsicl  
754 HSiBr monobromosilylene hsibr  
755 CHBr bromomethylene chbr  
756 HOF Hypofluorous acid hfo  
757 DOCl Hypochlorous acid-d docl  
758 HOCl hypochlorous acid hocl  
759 HOCl+ hypochlorous acid cation hocl+  
760 HOBr Hypobromous acid hobr  
761 HOBr+ Hypobromous acid cation hobr+  
762 HOI Hypoiodous acid hoi  
763 F2H+ Fluorine, protonated f2h+  
764 FHF Hydrogen difluoride fhf  
765 FHF- Hydrogen difluoride anion fhf-  
766 ClFH+ Chlorine fluoride, F-protonated clfh+  
767 FClH+ Chlorine fluoride, Cl-protonated fclh+  
768 Cl2H+ Chlorine, protonated cl2h+  
769 CH2Br bromomethyl radical ch2br  
770 CH2F fluoromethyl radical ch2f  
771 CH2F+ fluoromethyl cation ch2f+  
772 CH2Cl+ chloromethyl cation ch2cl+  
773 CH2Cl chloromethyl radical ch2cl  
774 NH2F monofluoroamine nh2f  
775 NH2Cl chloramine nh2cl  
776 H2F2 Hydrogen fluoride dimer h2f2  
777 CH3F+ methyl fluoride cation ch3f+  
778 CD3F methylfluoride-d3 cd3f  
779 CH3F Methyl fluoride ch3f  
780 CD3Cl methyl chloride d3 cd3cl  
781 CH3Cl Methyl chloride ch3cl  
782 CH3Cl+ Methyl chloride cation ch3cl+  
783 SiH3F monofluorosilane sih3f  
784 SiH3Cl chlorosilane sih3cl  
785 CH3Br methyl bromide ch3br  
786 GeH3F monofluorogermane geh3f  
787 GeH3Cl monochlorogermane geh3cl  
788 SiH3Br bromosilane sih3br  
789 CH3I methyl iodide ch3i  
790 SiH3I Silyl Iodide sih3i  
791 NH3Cl+ protonated monochloroammonia nh3cl+  
792 CH3ClH+ methyl chloride, protonated ch3clh+  
793 NH4Cl Ammonium chloride nh4cl  
794 LiNe+ Lithium Neon cation line+  
795 Ne2 Neon diatomic ne2  
796 Ne2+ Neon diatomic cation ne2+  
797 Ar2 Argon diatomic ar2  
798 Ar2+ Argon diatomic cation ar2+  
799 Li3 Lithium trimer li3  
800 Li3+ Lithium trimer cation li3+  
801 C3 carbon trimer c3  
802 C3+ carbon trimer cation c3+  
803 SiC2 Silicon dicarbide sic2  
804 C3H3 cyclopropenyl radical cpr  
805 C3H3 Propargyl radical propargyl  
806 C3H3- Propargyl anion c3h3-  
807 C3H3+ cyclopropenyl cation cpr+  
808 C3H3+ Propargyl cation c3h3+  
809 C3H4 cyclopropene cprop  
810 CH2CCH2 allene allene  
811 CH3CCH propyne propyne  
812 C3H5 Allyl radical allyl  
813 C3H5+ Allyl cation allyl+  
814 CH3CHCH 1-propenyl radical ch3chch  
815 Zn(CH3)2 dimethyl zinc dmz  
816 C3H7 n-Propyl radical npropyl  
817 C3H7+ cyclopropane, protonated c3h7+  
818 CH3CHCH3 Isopropyl radical isopropyl  
819 CH3CHCH3+ Isopropyl cation prop2yl+  
820 C3H8 Propane propane  
821 SiH2(CH3)2 dimethylsilane dms  
822 Si3H8 trisilane si3h8  
823 LiCN lithium cyanide licn  
824 NaCN Sodium Cyanide nacn  
825 KCN Potassium cyanide kcn  
826 CuCN Copper cyanide cucn  
827 ZnCN Zinc monocyanide zncn  
828 ZnNC Zinc isocyanide znnc  
829 AlCN Aluminum monocyanide alcn  
830 AlNC Aluminum isocyanide alnc  
831 CN2 3H-Diazirin-3-ylidene cn2  
832 CNN Diazocarbene cnn  
833 NCN Cyanoimidogen ncn  
834 N3 azide radical n3  
835 N3- azide anion n3-  
836 N3+ azide cation n3+  
837 HCCN cyanomethylene hccn  
838 HCNN diazomethyl radical hcnn  
839 HN3 hydrogen azide hn3  
840 HN3+ Hydrazoic acid cation hn3+  
841 HNCNH diiminomethane hncnh  
842 CH2N2 diazirine ch2n2  
843 CH2NN diazomethane ch2nn  
844 NH2CN cyanamide cyanamide  
845 HNNNH+ 1,2-Triazadienium n2h3+  
846 NH2NN+ hydrazoic acid, protonated nh2nn+  
847 CH3CN Acetonitrile ch3cn  
848 CH3CN- acetonitrile anion ch3cn-  
849 CH3CN+ Acetonitrile cation ch3cn+  
850 CH3NC methyl isocyanide ch3nc  
851 CHNCH2 2H-Azirine c157164  
852 CHNHCH 1H-Azirine chnhch  
853 H2CCNH Ethenimine ch2cnh  
854 H2CNCH methyleneaminomethylene ch2nch  
855 HCCNH2 Ethynamine hccnh2  
856 HCNCH2+ 2H-Azirine cation hcnch2+  
857 HNCNH2+ diiminomethane, protonated hncnh2+  
858 NCNH3+ Cyanamide, protonated ncnh3+  
859 NH2CNH+ cyanamide, cn protonated nh2cnh+  
860 NH3CN+ cyanamide, amine protonated nh3cn+  
861 CH2CHNH vinylazine ch2chnh  
862 CH3CHN methylmethaniminyl radical ch3chn  
863 NHCHNH2 aminomethanimine cn2h4  
864 C2H5N Aziridine c2h5n  
865 CH2CHNH2 aminoethene aminoethene  
866 CH2NCH3 N-methylmethanimine nmm  
867 CH3CHNH ethanimine ethanimine  
868 NH2BHNH2 diaminoborane nh2bhnh2  
869 C2H5NH+ Protonated Aziridine c2h5nh+  
870 C2H6N+ aziridine, protonated c2h6n+  
871 NH2CH2NH2 diaminomethane nh2ch2nh2  
872 CH3CH2NH2 Ethylamine etam  
873 CH3NHCH3 Dimethylamine ch3nhch3  
874 CH3PHCH3 dimethylphosphine ch3phch3  
875 NH2CH2NH3+ diaminoethane, protonated pdam  
876 (CH3)2NH2+ dimethylammonium cation dmam  
877 CH3CH2NH3+ ethylamine, protonated pea  
878 Li2O dilithium oxide li2o  
879 Li2O+ dilithium oxide cation li2o+  
880 Li2S dilithium sulfide li2s  
881 Na2O disodium monoxide na2o  
882 Na2S Sodium sulfide na2s  
883 LiO2 Lithium dioxide lio2  
884 NaO2 Sodium superoxide nao2  
885 CCO Dicarbon monoxide cco  
886 CNO- fulminate cno-  
887 NCO isocyanato radical nco  
888 NCO- cyanate nco-  
889 SCN thiocyanato radical scn  
890 SCN- thiocyanide anion scn-  
891 BO2 Boron dioxide bo2  
892 BO2- Boron dioxide anion bo2-  
893 BO2+ Boron dioxide cation bo2+  
894 N2O- Nitrous oxide anion n2o-  
895 N2O+ Nitrous oxide cation n2o+  
896 NNS Nitrogen sulfide nns  
897 PPO Phosphorus oxide phosphide ppo  
898 CO2- Carbon dioxide anion co2-  
899 CO2+ Carbon dioxide cation co2+  
900 OCS Carbonyl sulfide cos  
901 OCS+ Carbonyl sulfide cation cos+  
902 SiO2 silicon dioxide sio2  
903 CS2 Carbon disulfide cs2  
904 CS2- Carbon disulfide anion cs2-  
905 CS2+ Carbon disulfide cation cs2+  
906 TiO2 Titanium dioxide tio2  
907 SiS2 Silicon disulfide sis2  
908 GeO2 Germanium dioxide geo2  
909 OCSe Carbonyl selenide ocse  
910 SCSe Carbon sulfide selenide scse  
911 GeS2 Germanium disulfide ges2  
912 CSe2 Carbon diselenide cse2  
913 SCTe Carbon sulfide Telluride scte  
914 NO2 Nitrogen dioxide no2  
915 NO2- Nitrogen dioxide anion no2-  
916 NO2+ Nitrogen dioxide cation no2+  
917 NSO sulfinyl amidogen NSO  
918 PO2 Phosphorus dioxide po2  
919 PO2- Phosphorus dioxide anion po2-  
920 PO2+ Phosphorus dioxide cation po2+  
921 SNO Nitrogen oxide sulfide sno  
922 AsO2 Aresenic dioxide aso2  
923 O3 Ozone o3  
924 O3- Ozone anion o3-  
925 O3+ Ozone cation o3+  
926 SO2- Sulfur dioxide anion so2-  
927 SO2+ Sulfur dioxide cation so2+  
928 SSO Disulfur monoxide sso  
929 S3 Sulfur trimer s3  
930 S3- Sulfur trimer anion s3-  
931 S3+ Sulfur trimer cation s3+  
932 SeO2 Selenium dioxide seo2  
933 SeO2+ Selenium dioxide cation seo2+  
934 TeO2 Tellurium Dioxide teo2  
935 HCCO ketenyl radical ketenyl  
936 CS2H+ Carbon disulfide, protonated cs2h+  
937 HCNO fulminic acid hcno  
938 HNCO Isocyanic acid hnco  
939 HOCN cyanic acid hocn  
940 HNCS Isothiocyanic acid hncs  
941 HSCN thiocyanic acid hscn  
942 HCO2- formate anion hco2-  
943 HNNO nitrosoazane hnno  
944 HNNO+ Nitrous oxide, N-protonated hnno+  
945 NNOH+ Nitrous Oxide, O-protonated nnoh+  
946 HCOO formate neutral radical hcoo  
947 HOCO Hydrocarboxyl radical hoco  
948 HOCO+ Hydrocarboxyl cation hoco+  
949 HNO2 Nitrous acid hno2  
950 HNO2+ nitrous acid cation hno2+  
951 O3H+ protonated ozone o3h+  
952 SO2H+ protonated sulfur dioxide so2h+  
953 C2H2O Oxirene oxirene  
954 CH2CO Ketene ch2co  
955 CH2CO+ Ketene cation ch2co+  
956 HCCOH ethynol hccoh  
957 CH2CS Thioketene ch2cs  
958 Be(OH)2 Beryllium hydroxide beo2h2  
959 Mg(OH)2 Magnesium dihydroxide h2mgo2  
960 NH2NO Nitrosamide nh2no  
961 CH2O2 Dioxirane diox  
962 H2COO Dioxymethyl radical h2coo  
963 H2COO+ dioxymethyl cation h2coo+  
964 HCOOH Formic acid ch2o2  
965 H2O3 Hydrogen trioxide h2o3  
966 HSSSH trisulfane hsssh  
967 NaOCH3 Sodium methoxide naoch3  
968 CH2BOH hydroxy(methylene)borane ch2boh  
969 BH3CO Borane carbonyl bh3co  
970 CH3BO Borane, methyloxo- ch3bo  
971 CH2CHO Vinyloxy radical ch2cho  
972 CH2COH+ ketene, protonated ch2coh+  
973 CH3CO Acetyl radical ch3co  
974 CH3CO- Acetyl anion ch3co-  
975 CH3CO+ acetyl cation ch3co+  
976 CH2NOH formaldoxime ch2noh  
977 CH3NO nitrosomethane ch3no  
978 CHONH2 formamide formamide  
979 CNOH3 1,2-oxaziridine cnoh3  
980 HOCHNH hydroxymethylimine hochnh  
981 CHSNH2 thioformamide chsnh2  
982 NHCHSH Methanimidothioic acid nhchsh  
983 CH2OOH CH2OOH radical ch2ooh  
984 CH3OO methylperoxy radical ch3oo  
985 CH3OO- methylperoxy anion ch3oo-  
986 CH3OO+ methylperoxy cation ch3oo+  
987 C2H4O Ethylene oxide c2h4o  
988 C2H4O+ ethylene oxide cation c2h4o+  
989 CH2CHOH ethenol ch2choh  
990 CH3CHO Acetaldehyde ch3cho  
991 CH3CHO+ acetaldehyde cation ch3cho+  
992 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
993 C2H4S Thiirane thiirane  
994 CH2CHSH Ethenethiol ch2chsh  
995 CH3CHS Thioacetaldehyde ch3chs  
996 H2CONH2+ protonated formamide h2conh2+  
997 NH2CHOH+ Formamide, O-protonated nh2choh+  
998 NH3CHO+ Formamide, N-Protonated nh3cho+  
999 CH2(OH)2 methanediol ch2o2h2  
1000 CH3OOH Methyl peroxide ch3ooh  
1001 CH3SSH Hydrogen methyl disulfide ch3ssh  
1002 HSCH2SH Methanedithiol ch4s2  
1003 H2OH2CO water formaldehyde dimer h2oh2co  
1004 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1005 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1006 CH3CH2O Ethoxy radical ethoxy  
1007 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1008 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1009 CH3OCH2 methoxymethyl radical ch3och2  
1010 NH2CH2OH aminomethanol nh2ch2oh  
1011 CH3CH2OH Ethanol etoh  
1012 CH3OCH3 Dimethyl ether meome  
1013 CH3CH2SH ethanethiol etsh  
1014 CH3SCH3 Dimethyl sulfide mesme  
1015 CH3SCH3+ dimethyl sulfide cation mesme+  
1016 CH3SeCH3 dimethylselenide dmse  
1017 CH3OHH2O methanol water dimer ch3ohh2o  
1018 H2OCH3OH water methanol dimer h2och3oh  
1019 CuF2 Copper difluoride cuf2  
1020 ZnF2 Zinc difluoride znf2  
1021 CNF iso cyanogen fluoride cnf  
1022 FCN Cyanogen fluoride fcn  
1023 ClCN chlorocyanogen clcn  
1024 BrCN Cyanogen bromide brcn  
1025 FBO Boron monofluoride monoxide fbo  
1026 BeF2 Beryllium fluoride bef2  
1027 MgF2 Magnesium fluoride mgf2  
1028 BeCl2 Beryllium chloride becl2  
1029 MgCl2 Magnesium dichloride mgcl2  
1030 CaCl2 Calcium Chloride cacl2  
1031 ZnCl2 Zinc dichloride zncl2  
1032 BeBr2 Beryllium bromide bebr2  
1033 CaBr2 Calcium dibromide cabr2  
1034 CaF2 Calcium difluoride caf2  
1035 FCO Carbonyl fluoride fco  
1036 FCO+ Carbonyl fluoride cation fco+  
1037 ClCO carbonyl monochloride clco  
1038 BF2 Boron difluoride radical bf2  
1039 FNO Nitrosyl fluoride fno  
1040 ClNO Nitrosyl chloride clno  
1041 FNS Thionitrosyl fluoride fns  
1042 FSN Thiazyl fluoride fsn  
1043 OPCl Phosphorus oxychloride opcl  
1044 BrNO Nitrosyl bromide brno  
1045 INO Nitrosyl iodide ino  
1046 CF2 Difluoromethylene cf2  
1047 CF2- Difluoromethylene anion cf2-  
1048 CF2+ Difluoromethylene cation cf2+  
1049 CFCl chlorofluoromethylene cfcl  
1050 SiF2 Silicon difluoride sif2  
1051 SiF2+ Silicon difluoride cation sif2+  
1052 CCl2 dichloromethylene ccl2  
1053 CCl2- dichloromethylene anion ccl2-  
1054 CCl2+ dichloromethylene cation ccl2+  
1055 SiCl2 Dichlorosilylene sicl2  
1056 GeF2 Germanium difluoride gef2  
1057 GeCl2 Germanium dichloride gecl2  
1058 CBr2 dibromomethylene cbr2  
1059 FOO Dioxygen monofluoride radical foo  
1060 FOO+ Fluorine dioxide cation foo+  
1061 ClOO chloroperoxy radical cloo  
1062 ClOO+ chloroperoxy cation cloo+  
1063 OClO Chlorine dioxide oclo  
1064 OClO- Chlorine dioxide anion oclo-  
1065 OClO+ Chlorine dioxide cation oclo+  
1066 ClSO Sulfur chloride oxide clso  
1067 ClS2 Sulfur chloride cls2  
1068 BrOO Bromine dioxide broo  
1069 OBrO Bromine dioxide radical obro  
1070 NF2 Difluoroamino radical nf2  
1071 NF2+ Difluoroamino cation nf2+  
1072 PF2 Phosphorus difluoride pf2  
1073 PF2+ Phosphorus difluoride cation pf2+  
1074 FClO chlorosyl fluoride fclo  
1075 F2O Difluorine monoxide f2o  
1076 ClOF Chlorine hypofluorite clof  
1077 SF2 sulfur difluoride sf2  
1078 SF2- sulfur difluoride anion sf2-  
1079 SF2+ sulfur difluoride cation sf2+  
1080 Cl2O Dichlorine monoxide cl2o  
1081 SCl2 Sulfur dichloride scl2  
1082 SeF2 Selenium difluoride sef2  
1083 BrOCl Bromine hypochlorite brocl  
1084 SeCl2 Selenium Dichloride secl2  
1085 SBr2 Sulfur dibromide sbr2  
1086 SeBr2 Selenium dibromide sebr2  
1087 BrOBr Bromine oxide brobr  
1088 F3- trifluoride anion f3-  
1089 Cl3- trichloride anion cl3-  
1090 Br3- tribromide anion br3-  
1091 I3- triiodide i3-  
1092 SFCl Sulfur chloride fluoride sfcl  
1093 HCCF Fluoroacetylene hccf  
1094 HCCF+ fluoroacetylene cation hccf+  
1095 HCCCl Chloroacetylene hcccl  
1096 HCCBr bromoacetylene hccbr  
1097 HFCO formyl fluoride hfco  
1098 HFCO+ formyl fluoride cation hfco+  
1099 COHCl Formyl chloride cohcl  
1100 COHBr Formyl bromide cohbr  
1101 BHF2 Difluoroborane bhf2  
1102 BHCl2 Borane, dichloro- bhcl2  
1103 CHCl2 dichloromethyl radical chcl2  
1104 CHF2 difluoromethyl radical chf2  
1105 CHF2+ difluoromethyl cation chf2+  
1106 CHFCl Chlorofluoromethyl radical chfcl  
1107 CHFCl+ Chlorofluoromethyl cation chfcl+  
1108 CHCl2+ dichloromethyl cation chcl2+  
1109 CHBr2 dibromomethyl radical chbr2  
1110 HOClO Chlorous acid hoclo  
1111 NHF2 difluoramine nhf2  
1112 NHCl2 dichloroamine nhcl2  
1113 CH2F2 Methane, difluoro- ch2f2  
1114 CH2FCl fluorochloromethane ch2fcl  
1115 SiH2F2 difluorosilane sih2f2  
1116 CH2Cl2 Methylene chloride ch2cl2  
1117 CH2BrF Methane, bromofluoro- ch2fbr  
1118 CH2BrCl Methane, bromochloro- ch2clbr  
1119 CH2Br2 dibromomethane ch2br2  
1120 CH2ClI chloroiodomethane ch2cli  
1121 CH2BrI bromoiodomethane ch2bri  
1122 SiH2Cl2 dichlorosilane sih2cl2  
1123 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1124 CH2CHF Ethene, fluoro- ch2chf  
1125 CH2CHF+ fluoroethene cation ch2chf+  
1126 C2H3Cl Ethene, chloro- ch2chcl  
1127 C2H3Br vinyl bromide c2h3br  
1128 C2H3I Vinyl iodide c2h3i  
1129 CH2FOH fluoromethanol ch2foh  
1130 CH3OCl methyl hypochlorite ch3ocl  
1131 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1132 CHClCH3 1-chloroethyl radical chclch3  
1133 C2H5F fluoroethane c2h5f  
1134 CH3CH2Cl Ethyl chloride c2h5cl  
1135 CH3SiFH2 fluoromethylsilane ch3sifh2  
1136 C2H5Br Ethyl bromide etbr  
1137 KrF2 Krypton difluoride krf2  
1138 XeF2 Xenon difluoride xef2  
1139 B4H10 Tetraborane(10) b4h10  
1140 C4 Carbon tetramer c4  
1141 C4+ Carbon tetramer cation c4+  
1142 C4H2 Diacetylene c4h2  
1143 C4H2+ diacetlyene cation c4h2+  
1144 C2H3CCH 1-Buten-3-yne c2h3cch  
1145 C4H4 cyclobutadiene cbd  
1146 C4H4 Tetrahedrane c4h4  
1147 H2CCCCH2 Butatriene h2cccch2  
1148 C4H6 1-Methylcyclopropene c3100047  
1149 C4H6 Cyclobutene c822355  
1150 C4H6 Methylenecyclopropane c6142730  
1151 CH2CCHCH3 1,2-Butadiene butad12  
1152 CH2CHCHCH2 1,3-Butadiene c106990  
1153 CH3CCCH3 2-Butyne c503173  
1154 CHCCH2CH3 1-Butyne c107006  
1155 CH3CHCHCH2 methylallyl radical c4h7  
1156 C4H8 methylcyclopropane mcp  
1157 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1158 CH2CHCH2CH3 1-Butene bute1  
1159 CH3CHCHCH3 2-Butene, (E)- bute2e  
1160 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1161 B(CH3)3 trimethylborane bme3  
1162 Al(CH3)3 trimethyl aluminum tma  
1163 C(CH3)3 Tert-butyl radical tbutyl  
1164 CH2CH(CH3)2 Isobutyl radical isobutyl  
1165 CH3CHCH2CH3 2-Butyl radical butyl2  
1166 CH3CH(CH3)CH3 Isobutane isobutane  
1167 CH3CH2CH2CH3 Butane butane  
1168 SiH(CH3)3 trimethylsilane trimsi  
1169 Li3N trilithium nitride li3n  
1170 C2N2 Cyanogen c2n2  
1171 C2N2+ Cyanogen cation c2n2+  
1172 P4 Phosphorus tetramer p4  
1173 As4 Arsenic tetramer as4  
1174 HCCCN Cyanoacetylene hcccn  
1175 HCCCN+ Cyanoacetylene cation hcccn+  
1176 H2CNCN cyanamide, methylene ch2ncn  
1177 HNCCNH Ethenediimine hnccnh  
1178 C3H3N acrylonitrile ch2chcn  
1179 C3H3N+ acrylonitrile cation ch2chcn+  
1180 CH3N3 methyl azide ch3n3  
1181 NH2CCNH2 Diaminoacetylene daa  
1182 NH2CH2CN Aminoacetonitrile aan  
1183 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1184 C2H5CN ethyl cyanide c2h5cn  
1185 CH5N3 Guanidine guanidine  
1186 C4H6 Bicyclo[1.1.0]butane c157335  
1187 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1188 H2NCHCHNH2 diaminoethylene dae  
1189 CH6N3+ guanidinium ch6n3+  
1190 C3H7N Cyclopropylamine cpram  
1191 CH7N3 triaminomethane tam  
1192 C3H7N Azetidine azet  
1193 C4H8 cyclobutane cbutane  
1194 C2H8N2 Ethylenediamine ethdiam  
1195 CH3NHNHCH3 dimethyl hydrazine dmh  
1196 CH3CH(NH2)CH3 2-Propanamine pram2  
1197 N(CH3)3 Trimethylamine trimeam  
1198 NH2CH2CH2CH3 1-Propanamine pram1  
1199 P(CH3)3 trimethylphosphine tmp  
1200 N(SiH3)3 trisilylamine tsa  
1201 As(CH3)3 trimethyl arsine tmas  
1202 (CH3)3NH+ protonated trimethyl amine ptma  
1203 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1204 Li2O2 dilithium dioxide li2o2  
1205 Na2O2 disodium dioxide na2o2  
1206 K2O2 dipotassium dioxide k2o2  
1207 C3O Tricarbon monoxide c3o  
1208 B2O2 Diboron dioxide b2o2  
1209 ONNO NO dimer onno  
1210 S2N2 Disulfur dinitride s2n2  
1211 CO3 Carbon trioxide co3  
1212 CO3-- carbonate co3--  
1213 CS3-- Carbonotrithioate cs3--  
1214 NO3 Nitrogen trioxide no3  
1215 NO3- nitrate anion no3-  
1216 NO3+ nitrogen trioxide cation no3+  
1217 SO3 Sulfur trioxide so3  
1218 SO3- Sulfur trioxide anion so3-  
1219 SO3-- Sulfate dianion so3--  
1220 SO3+ Sulfur trioxide cation so3+  
1221 SeO3 selenium trioxide seo3  
1222 S4 Sulfur tetramer s4  
1223 TeO3 Tellurium trioxide teo3  
1224 HCO3- bicarbonate anion hco3-  
1225 HNO3 Nitric acid hno3  
1226 HSO3 Hydroxysulfonyl radical hso3  
1227 NH2NO2 nitramide nh2no2  
1228 C2H2CO cyclopropenone c2h2co  
1229 C3H2O Propadienal c3h2o  
1230 HCCCHO 2-propynal hcccho  
1231 C2H2O2 Ethanedial c2h2o2  
1232 C2H2O2+ Ethanedial cation c2h2o2+  
1233 H2CO3 Carbonic acid h2co3  
1234 H2CS3 thiocarbonic acid h2cs3  
1235 H2NO3+ Nitric Acid, Protonated h2no3+  
1236 H2SO3 Sulfurous acid h2so3  
1237 C2H3NO Nitrosoethylene c2h3no  
1238 CH3NCO methylisocyante ch3nco  
1239 HOCH2CN cyanomethanol hoch2cn  
1240 CH3COO- acetate anion ch3coo-  
1241 CH3NO2 Methane, nitro- ch3no2  
1242 CH3ONO Methyl nitrite ch3ono  
1243 NH2COOH Carbamic acid nh2cooh  
1244 H3BO3 Boric acid h3bo3  
1245 H3AlO3 Aluminum hydroxide h3alo3  
1246 H3CO3+ carbonic acid, protonated h3co3+  
1247 C3H4O 2-Propyn-1-ol c107197  
1248 C3H4O allenol c9000071  
1249 C3H4O Cyclopropanone cpone  
1250 C3H4O Methylketene c6004440  
1251 CH2CHCHO Acrolein c3h4o  
1252 NH2CONH2 Urea urea  
1253 NH2CONH2+ Urea cation urea+  
1254 NH2CSNH2 Thiourea thiourea  
1255 C2H4O2 1,3-dioxetane c2h4o2  
1256 CH3COOH Acetic acid ch3cooh  
1257 CH3OCHO methyl formate ch3ocho  
1258 CHOCH2OH hydroxy acetaldehyde haa  
1259 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1260 NH3COOH+ protonated Carbamic acid nh3cooh+  
1261 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1262 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1263 HCOOHH2O Formic acid water dimer hcoohh2o  
1264 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1265 CH3COCH2 Acetonyl radical ch3coch2  
1266 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1267 CH3C(OH)=NH Ethaninidic acid eia  
1268 CH3CHNOH Acetaldoxime acetaldoxime  
1269 CH3CONH2 Acetamide acetamide  
1270 HCONHCH3 N-methylformamide nmfa  
1271 CH3CSNH2 Ethanethioamide ch3csnh2  
1272 CH5N2O+ urea, N-protonated ch4n2o+  
1273 H2NCOHNH2+ urea, protonated ureah+  
1274 C2H5OO ethylperoxy radical c2h5oo  
1275 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1276 C3H5OH Cyclopropanol cproh  
1277 C3H6O 2-Propen-1-ol c107186  
1278 C3H6O Acetone enol enol  
1279 C3H6O Oxetane oxetane  
1280 C3H6O Propylene oxide prox  
1281 CH3CH2CHO Propanal propanal  
1282 CH3COCH3 Acetone acetone  
1283 CH3COCH3- acetone anion ch3coch3-  
1284 C3H6S Thietane thietane  
1285 C3H6S Thiirane, methyl- methiirane  
1286 CH3CSCH3 Thioacetone ch3csch3  
1287 C2H6O2 1,2-Ethanediol ethdiol  
1288 CH3OOCH3 dimethylperoxide dmp  
1289 CH3SOCH3 Dimethyl sulfoxide dmso  
1290 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1291 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1292 CH3COHCH3+ acetone, protonated acetoneh+  
1293 HOCH2CH2NH2 monoethanolamine mea  
1294 C3H7OH 1-Propanol proh  
1295 CH3CHOHCH3 Isopropyl alcohol isoproh  
1296 CH3OC2H5 Ethane, methoxy- etome  
1297 C3H7SH 1-Propanethiol prsh  
1298 CH3CHSHCH3 2-Propanethiol isoprsh  
1299 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1300 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1301 Li2F2 Lithium fluoride dimer li2f2  
1302 Na2F2 Sodium Fluoride Dimer na2f2  
1303 Na2Cl2 Disodium dichloride na2cl2  
1304 C2F2 difluoroacetylene c2f2  
1305 C2Cl2 dichloroacetylene c2cl2  
1306 C2Cl2+ dichloroacetylene cation c2cl2+  
1307 FNO2 Nitryl fluoride fno2  
1308 FONO Nitrosyl hypofluorite fono  
1309 ClNO2 Nitryl chloride clno2  
1310 ClONO chlorine nitrite clono  
1311 BrONO Bromine nitrite brono  
1312 N2F2 (Z)-Difluorodiazene n2f2_z  
1313 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1314 CF2O Carbonic difluoride f2co  
1315 CF2O+ Carbonic difluoride cation f2co+  
1316 COFCl Carbonic chloride fluoride cofcl  
1317 CCl2O Phosgene cl2co  
1318 Cl2CS Thiophosgene cl2cs  
1319 COBr2 Carbonic dibromide cobr2  
1320 BF3- Borane, trifluoro- anion bf3-  
1321 BF3+ boron trifluoride cation bf3+  
1322 BClF2 Chlorodifluoroborane bclf2  
1323 AlF2Cl Aluminum chloride difluoride alclf2  
1324 ScF3 Scandium trifluoride ScF3  
1325 AlFCl2 Aluminum dichloride fluoride alcl2f  
1326 BCl3 Borane, trichloro- bcl3  
1327 BCl3+ Boron Trichloride cation bcl3+  
1328 GaF3 Gallium trifluoride gaf3  
1329 AlCl3 Aluminum trichloride alcl3  
1330 GaCl3 Gallium trichloride gacl3  
1331 BBr3 Boron tribromide bbr3  
1332 AlBr3 Aluminum Bromide albr3  
1333 ClO3 Chlorine trioxide clo3  
1334 ClO3- chlorate anion clo3-  
1335 BrO3- Bromate anion bro3-  
1336 CF3 Trifluoromethyl radical cf3  
1337 CF3- Trifluoromethyl anion cf3-  
1338 CF3+ Trifluoromethyl cation cf3+  
1339 CF2Cl difluorochloromethyl radical cf2cl  
1340 SiF3 Silicon trifluoride radical sif3  
1341 SiF3+ Silicon trifluoride cation sif3+  
1342 CFCl2 dichlorofluoromethyl radical cfcl2  
1343 CCl3 Trichloromethyl radical ccl3  
1344 CCl3- Trichloromethyl anion ccl3-  
1345 CCl3+ Trichloromethyl cation ccl3+  
1346 SiCl3 trichlorosilyl radical sicl3  
1347 SiCl3+ trichlorosilyl cation sicl3+  
1348 CBr3 tribromomethyl radical cbr3  
1349 FOOF Perfluoroperoxide foof  
1350 ClO2F Chloryl fluoride clo2f  
1351 F2SO Thionyl Fluoride f2so  
1352 ClOOCl Dichlorine dioxide cloocl  
1353 FSSF Difluorodisulfane fssf  
1354 S2F2 Thio-thionyl fluoride s2f2  
1355 SOCl2 thionyl chloride socl2  
1356 SSCl2 Thiothionyl chloride sscl2  
1357 SeOCl2 selenium oxychloride seocl2  
1358 NF3 Nitrogen trifluoride nf3  
1359 NF3- Nitrogen trifluoride anion nf3-  
1360 NF3+ Nitrogen trifluoride cation nf3+  
1361 PF3 Phosphorus trifluoride pf3  
1362 NCl3 nitrogen trichloride ncl3  
1363 AsF3 Arsenic trifluoride asf3  
1364 PCl3 Phosphorus trichloride pcl3  
1365 SbF3 Antimony Trifluoride sbf3  
1366 AsCl3 Arsenous trichloride ascl3  
1367 SbCl3 Antimony Trichloride sbcl3  
1368 NBr3 Nitrogen Tribromide nbr3  
1369 PBr3 Phosphorus tribromide pbr3  
1370 AsBr3 Arsenic tribromide asbr3  
1371 ClSSCl Disulfur dichloride s2cl2  
1372 SF3 Sulfur trifluoride sf3  
1373 ClF3 Chlorine trifluoride clf3  
1374 BrF3 Bromine trifluoride brf3  
1375 IF3 iodone trifluoride if3  
1376 HClO3 Chloric Acid hclo3  
1377 CHF3 Methane, trifluoro- chf3  
1378 CHF2Cl difluorochloromethane chf2cl  
1379 SiHF3 trifluorosilane sihf3  
1380 CHFCl2 fluorodichloromethane chfcl2  
1381 CDCl3 trichloromethane-d cdcl3  
1382 CHCl3 Chloroform chcl3  
1383 CHBrF2 Methane, bromodifluoro- chbrf2  
1384 SiHCl3 Trichlorosilane sihcl3  
1385 CHFClBr fluorochlorobromomethane chfclbr  
1386 CHBrCl2 Methane, bromodichloro- chbrcl2  
1387 CHF2I difluoroiodomethane chf2i  
1388 CHBr2F dibromofluoromethane chbr2f  
1389 CHFClI fluorochloroiodomethane chfcli  
1390 CHCl2I dichloroiodomethane chcl2i  
1391 CHClBr2 Methane, dibromochloro- chclbr2  
1392 CHBr3 bromoform chbr3  
1393 CHI3 Iodoform chi3  
1394 NF3H+ protonated nitrogen trifluoride nf3h+  
1395 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1396 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1397 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1398 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1399 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1400 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1401 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1402 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1403 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1404 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1405 C2H2Br2 1,1-dibromoethene c2h2br2  
1406 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1407 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1408 CH2FCHO Fluoroacetaldehyde ch2fcho  
1409 CH3COF Acetyl fluoride ch3cof  
1410 CH2ClCHO chloroacetaldehyde ch2clcho  
1411 CH3COCl Acetyl Chloride ch3cocl  
1412 C2H4F2 1,2-difluoroethane c2h4f2  
1413 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1414 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1415 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1416 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1417 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1418 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1419 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1420 CH2CFCH3 2-fluoropropene 2fpro  
1421 CH2CHCH2F Allyl Fluoride allylf  
1422 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1423 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1424 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1425 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1426 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1427 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1428 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1429 CH2FCH2CH3 1-Fluoropropane prf1  
1430 CH3CHFCH3 2-Fluoropropane prf2  
1431 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1432 CH3CHClCH3 Propane, 2-chloro- prcl2  
1433 CH3CH2CH2Br n-propyl bromide prbr  
1434 CH3CHBrCH3 i-propyl bromide iprbr  
1435 C3H9O+ trimethyl oxonium cation c3h9o+  
1436 B5H9 pentaborane9 b5h9  
1437 C5H4 pentatetraene ptrene  
1438 C5H5 cyclopentadienyl radical c5h5  
1439 C5H5- cylopentadienyl anion c5h5-  
1440 C5H6 1,3-Cyclopentadiene c542927  
1441 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1442 C5H6 3-Penten-1-yne, (E)- c2004695  
1443 C5H6 3-Penten-1-yne, (Z)- c1574409  
1444 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1445 C5H6 Cyclopropylacetylene c6746947  
1446 C5H6 Propellane propellane  
1447 C5H7 1,3-pentadienyl radical pdyl  
1448 C5H7 cyclopentenyl radical cpyl  
1449 C5H8 1,2-Butadiene, 3-methyl- c598254  
1450 C5H8 1,2-Pentadiene c591957  
1451 C5H8 1,3-Butadiene, 2-methyl- c78795  
1452 C5H8 1,3-Pentadiene, (E)- c2004708  
1453 C5H8 1,3-Pentadiene, (Z)- c1574410  
1454 C5H8 1,4-Pentadiene c591935  
1455 C5H8 1-pentyne a1pentyne  
1456 C5H8 2,3-Pentadiene c591968  
1457 C5H8 Bicyclo[1.1.1]pentane bcp  
1458 C5H8 Cyclobutane, methylene- c1120565  
1459 C5H8 Cyclopentene c142290  
1460 C5H8 Ethenylcyclopropane c693867  
1461 CH3CCCH2CH3 2-Pentyne 2pentyne  
1462 C5H10 1-Butene, 2-methyl- c563462  
1463 C5H10 2-Butene, 2-methyl- c513359  
1464 C5H10 2-Pentene, (E)- c646048  
1465 C5H10 2-Pentene, (Z)- c627203  
1466 C5H10 Cyclopentane c287923  
1467 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1468 CH2CHCH2CH2CH3 1-pentene pentene  
1469 C5H11 2-Methylbut-2-yl radical c4348350  
1470 C5H12 Butane, 2-methyl- buta2  
1471 C5H12 Pentane pentane  
1472 C5H12 Propane, 2,2-dimethyl- neopentane  
1473 Si(CH3)4 tetramethylsilane tms  
1474 N2O3 Dinitrogen trioxide n2o3  
1475 C3H2N2 Malononitrile c3h2n2  
1476 CH2N4 1H-Tetrazole 1htz  
1477 C3H3N2 imidazolyl radical im  
1478 C3H3N2- imidizolyl anion im-  
1479 C2H3N3 1H-1,2,4-Triazole c288880  
1480 C4H4N pyrrolide radical c4h4n  
1481 C4H4N- pyrrolide anion c4h4n-  
1482 C3H4N2 1H-Imidazole 1himidaz  
1483 C3H4N2 1H-Pyrazole 1hpyraz  
1484 C3H4N2 2H-Imidazole imid2h  
1485 C3H4N2 4H-Imidazole imid4h  
1486 C4H5N (E)-2-Butenenitrile c627269  
1487 C4H5N (Z)-2-Butenenitrile c1190767  
1488 C4H5N 2H-pyrrole pyrrole2  
1489 C4H5N 3H-pyrrole pyrrole3  
1490 C4H5N Cyclopropanecarbonitrile c5500210  
1491 C4H5N Pyrrole pyrrole  
1492 CH2CHCH2CN Allylcyanide ch2chch2cn  
1493 C4H6N+ pyrrole, alpha-protonated appyr  
1494 C4H6N+ pyrrole, beta-protonated bppyr  
1495 C4H6N+ pyrrole, protonated ppyr  
1496 C3H6N2 3-Aminopropionitrile c151188  
1497 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1498 CH3CH2CH2CN Butanenitrile c109740  
1499 C5H8 Bicyclo[2.1.0]pentane c185944  
1500 C5H8 Spiropentane c157404  
1501 C4H9N Cyclobutylamine cbam  
1502 C4H9N Pyrrolidine pyrrolidine  
1503 C3H10N2 1,2-Diaminopropane diampr12  
1504 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1505 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1506 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1507 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1508 NH(C2H5)2 diethylamine dea  
1509 NC4H12+ tetramethyl ammonium cation nc4h12+  
1510 C3O2 Carbon suboxide c3o2  
1511 C3O2+ Carbon suboxide cation c3o2+  
1512 B2O3 diboron trioxide b2o3  
1513 MgCO3 Magnesium Carbonate mgco3  
1514 BeCO3 Beryllium Carbonate beco3  
1515 CaCO3 Calcium Carbonate caco3  
1516 ONONO Nitrosyl nitrite onono  
1517 PO4--- phosphate po4---  
1518 SO4-- sulfate so4--  
1519 HOONO2 peroxy nitric acid hoono2  
1520 HSO4- bisulfate anion hso4-  
1521 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1522 C3H2O2 Propiolic acid c3h2o2  
1523 CHOCOOH oxo acetic acid oaa  
1524 CHOOCHO diformyl ether choocho  
1525 H2SO4 Sulfuric acid h2so4  
1526 H2SeO4 Selenic acid h2seo4  
1527 C3H3NO Isoxazole isox  
1528 C3H3NO Oxazole oxazole  
1529 C3H3NS Thiazole thiazole  
1530 CH3C(O)OO acetyl peroxy radical ch3coo2  
1531 CH3NO3 Methyl nitrate ch3no3  
1532 H3PO4 Phosphoric Acid h3po4  
1533 C4H4O Furan furan  
1534 C4H4O+ Furan cation furan+  
1535 CH3COCCH 3-butyn-2-one c1423605  
1536 C4H4S Thiophene furans  
1537 C4H4Se selenophene c4h4se  
1538 C3H4O2 β–Propiolactone beta  
1539 C3H4O2 2-Propenoic acid propenoic2  
1540 C3H4O2 Methyl glyoxal megly  
1541 C3H4O2 propanedial propanedial  
1542 C3H4O2 propenalol propenalol  
1543 HOCHCCHOH allenediol aldiol  
1544 C2H4O3 1,2,3-trioxolane c2h4o3  
1545 C2H4O3 trioxolane124 triox  
1546 HOCH2COOH Hydroxyacetic acid hac  
1547 CH2CHCONH2 Acrylamide c79061  
1548 CH3OCH2CN Methoxyacetonitrile c1738369  
1549 CH5N3S Hydrazinecarbothioamide c79196  
1550 H2NCH2COOH Glycine glycine  
1551 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1552 C4H6O cis-2-butenal butenal2c  
1553 C4H6O Cyclobutanone cbutone  
1554 C4H6O Furan, 2,3-dihydro- furan23h  
1555 C4H6O Furan, 2,5-dihydro- furan25h  
1556 CH2CHOCHCH2 Vinyl ether vinylether  
1557 CHOCHCHCH3 2-Butenal butenal2  
1558 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1559 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1560 CH2CHSCHCH2 Divinyl sulfide divis  
1561 C2H6N2O Urea, methyl- c598505  
1562 C3H6O2 1,3-Dioxolane dioxolane  
1563 CH3CH2COOH Propanoic Acid propanoic  
1564 CH3COOCH3 methyl acetate aame  
1565 HCOOC2H5 Ethyl formate faee  
1566 C2H6O2S Dimethyl sulfone c67710  
1567 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1568 C3H7NO dimethylformamide dmf  
1569 C3H7NO Propanamide propanam  
1570 C2H3OC2H5 Ethene, ethoxy- c109922  
1571 C4H8O Cyclobutanol c2919235  
1572 C4H8O Furan, tetrahydro- thf  
1573 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1574 CH3COCH2CH3 2-Butanone buta2one  
1575 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1576 CHOCH2CH2CH3 Butanal butanal  
1577 C4H8S Thiophene, tetrahydro- tht  
1578 C3H8O2 1,3-Propanediol c504632  
1579 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1580 C3H8O2 Methane, dimethoxy- c109875  
1581 C3H8O2 Propylene glycol c57556  
1582 C3H8S2 1,3-Propanedithiol c109808  
1583 C4H10O 1-Butanol butanol1  
1584 C4H10O 1-Propanol, 2-methyl- c78831  
1585 C4H10O 2-Butanol, (.+/-.)- butanol2  
1586 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1587 C4H10O Ethoxy ethane etoet  
1588 C4H10O Methyl propyl ether meopr  
1589 C4H10O Propane, 2-methoxy- c598538  
1590 C4H10O+ 1-Butanol cation butanol1+  
1591 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1592 C2H5SC2H5 Diethyl sulfide etset  
1593 C4H9SH 1-Butanethiol bush  
1594 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1595 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1596 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1597 FNO3 Fluorine nitrate fno3  
1598 ClONO2 Chlorine nitrate clono2  
1599 BrONO2 Bromine nitrate brono2  
1600 TiCl4 Titanium tetrachloride ticl4  
1601 ClO4- perchlorate anion clo4-  
1602 BF4- tetrafluoroboron anion bf4-  
1603 ClFO3 Perchloryl fluoride clfo3  
1604 SO2F2 Sulfuryl fluoride so2f2  
1605 SO2Cl2 Sulfuryl chloride so2cl2  
1606 F3NO Nitrogen trifluoride oxide f3no  
1607 F3PO Phosphoryl fluoride pf3o  
1608 Cl3PO Phosphoryl chloride pcl3o  
1609 CF4 Carbon tetrafluoride cf4  
1610 CF3Cl Methane, chlorotrifluoro- cf3cl  
1611 SiF4 Silicon tetrafluoride sif4  
1612 CF2Cl2 difluorodichloromethane cf2cl2  
1613 TiF4 Titanium tetrafluoride tif4  
1614 CFCl3 Trichloromonofluoromethane cfcl3  
1615 CF3Br Bromotrifluoromethane cf3br  
1616 GeF4 Germanium tetrafluoride gef4  
1617 CCl4 Carbon tetrachloride ccl4  
1618 CCl4+ Carbon tetrachloride cation ccl4+  
1619 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1620 SiCl4 Silane, tetrachloro- sicl4  
1621 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1622 CF3I trifluoroiodomethane cf3i  
1623 CBrCl3 Methane, bromotrichloro- cbrcl3  
1624 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1625 GeCl4 Germanium Tetrachloride gecl4  
1626 CBr2ClF dibromochlorofluoromethane cbr2clf  
1627 CBr2Cl2 dibromodichloromethane cbr2cl2  
1628 CFBr3 fluorotribromomethane cfbr3  
1629 CFClBrI fluorochlorobromoiodomethane cfclbri  
1630 CBr3Cl tribromochloromethane cbr3cl  
1631 CF2I2 difluorodiiodomethane cf2i2  
1632 CBr4 Carbon tetrabromide cbr4  
1633 CCl2I2 dichlorodiiodomethane ccl2i2  
1634 SiBr4 Silicon tetrabromide sibr4  
1635 CBr3I tribromoiododmethane cbr3i  
1636 GeBr4 Germanium tetrabromide gebr4  
1637 CI4 tetraiodomethane ci4  
1638 SiI4 silicon tetraiodide sii4  
1639 ClOF3 Chlorine trifluoride oxide clof3  
1640 SF4 Sulfur tetrafluoride sf4  
1641 SeF4 Selenium tetrafluoride sef4  
1642 SCl4 Sulfur tetrachloride scl4  
1643 C2HF3 Trifluoroethylene c2hf3  
1644 C2HF3+ Trifluoroethylene cation c2hf3+  
1645 CHClCCl2 Trichloroethylene chclccl2  
1646 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1647 HClO4 perchloric acid hclo4  
1648 HSO3F Fluorosulfonic acid hso3f  
1649 CF3OH trifluoromethanol cf3oh  
1650 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1651 CHClCCHCl 1,3-dichloroallene chclcchcl  
1652 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1653 CHCl2CHO dichloroacetaldehyde chcl2cho  
1654 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1655 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1656 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1657 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1658 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1659 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1660 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1661 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1662 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1663 NH3BCl3 Amminetrichloroboron nh3bcl3  
1664 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1665 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1666 C3H5ClO Oxirane, (chloromethyl)- c106898  
1667 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1668 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1669 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1670 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1671 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1672 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1673 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1674 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1675 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1676 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1677 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1678 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1679 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1680 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1681 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1682 C4H9F 1-fluorobutane butaf1  
1683 CH3CHFCH2CH3 2-fluorobutane butaf2  
1684 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1685 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1686 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1687 XeF4 Xenon tetrafluoride xef4  
1688 C2H2N2O Furazan furazan  
1689 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1690 NH3BF3 Amminetrifluoroboron nh3bf3  
1691 C6H2 hexatriyne c6h2  
1692 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1693 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1694 C6H4 Benzyne benzyne  
1695 C6H5 phenyl phenyl  
1696 C6H5- phenyl anion phenyl-  
1697 C6H6 Prismane prismane  
1698 C6H6 1,2,4,5-Hexatetraene ht1245  
1699 C6H6 2,4-Hexadiyne hexadiyne  
1700 C6H6 3,4-Dimethylenecyclobutene cb34m  
1701 C6H6 Benzene benzene  
1702 C6H6 Benzvalene bv  
1703 C6H6 Dewar Benzene dewar  
1704 C6H6 Hexa-1,5-diene-3-yne hdy153  
1705 C6H6 Trimethylenecycopropane tmcp  
1706 C6H6+ Benzene cation c6h6+  
1707 C6H7+ benzene, protonated c6h7+  
1708 C6H8 (E)-hexa-1,3,5-triene c821078  
1709 C6H8 (E)-hexa-2,3,4-triene c59660650  
1710 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1711 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1712 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1713 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1714 C6H8 3-Methylenecyclopentene c930267  
1715 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1716 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1717 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1718 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1719 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1720 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1721 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1722 C6H10 1,5-Hexadiene c592427  
1723 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1724 C6H10 1-Hexyne hexyne1  
1725 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1726 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1727 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1728 C6H10 2-Hexyne c764352  
1729 C6H10 3-Hexyne hexyne3  
1730 C6H10 cyclohexene cyclohexene  
1731 C6H10 Cyclopentene, 1-methyl- c693890  
1732 C6H10 Cyclopentene, 3-methyl- c1120623  
1733 C6H10 Cyclopentene, 4-methyl- c1759815  
1734 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1735 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1736 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1737 C6H12 (E)-2-Hexene e2hexene  
1738 C6H12 (E)-3-methylpent-2-ene c616126  
1739 C6H12 (E)-hex-3-ene e3hexene  
1740 C6H12 (Z)-3-methylpent-2-ene c922623  
1741 C6H12 (Z)-hex-2-ene z2hexene  
1742 C6H12 (Z)-hex-3-ene z3hexene  
1743 C6H12 2,3-dimethylbut-1-ene c563780  
1744 C6H12 2,3-dimethyl-but-2-ene tmeet  
1745 C6H12 3-methylenepentane c760214  
1746 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1747 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1748 C6H12 Cyclohexane cyclohexane  
1749 C6H12 Cyclopentane, methyl- c96377  
1750 C6H12 Ethylcyclobutane c4806615  
1751 C6H12 hex-1-ene hexene1  
1752 C6H14 Butane, 2,2-dimethyl- buta22  
1753 C6H14 Butane, 2,3-dimethyl- buta23  
1754 C6H14 Hexane hexane  
1755 C6H14 Pentane, 2-methyl- penta2  
1756 C6H14 Pentane, 3-methyl- penta3  
1757 C4N2 2-Butynedinitrile c4n2  
1758 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1759 C4H2N2 Fumaronitrile c4h2n2  
1760 C2H2N4 sym-tetrazine ttz  
1761 C3H3N3 1,3,5-Triazine triazine135  
1762 CH3N5 5-Aminotetrazole c4418615  
1763 C4H4N2 1,3-Diazine diazine13  
1764 C4H4N2 Pyrazine pyrazine  
1765 C4H4N2 Pyridazine pyridazine  
1766 C4H4N2 Succinonitrile c110612  
1767 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1768 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1769 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1770 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1771 C5H5N E-2,4-pentadienenitrile bdcn  
1772 C5H5N Pyridine pyridine  
1773 B3N3H6 borazine borazine  
1774 C6H6 Fulvene fulvene  
1775 C5H6N+ Pyridinium c5h6n  
1776 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1777 C5H7N (E)-2-Pentenenitrile c26294984  
1778 C5H7N (E)-3-Pentenenitrile c16529661  
1779 C5H7N (Z)-2-Pentenenitrile c25899507  
1780 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1781 C5H7N Cyclobutanecarbonitrile c4426113  
1782 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1783 C5H9N Butanenitrile, 2-methyl- c18936179  
1784 C5H9N Pentanenitrile c110598  
1785 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1786 C6H10 Bicyclo[3.1.0]hexane c285585  
1787 C5H11N Cyclopentanamine cypentam  
1788 C5H11N Piperidine piper  
1789 C4H12N2 1,2-Butanediamine c4426486  
1790 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1791 Li2CO3 Lithium Carbonate li2co3  
1792 Na2CO3 Sodium Carbonate na2co3  
1793 C2O4-- oxalate anion c2o4  
1794 MgSO4 Magnesium Sulfate mgso4  
1795 N2O4 Dinitrogen tetroxide n2o4  
1796 C3H2O3 vinylene carbonate vica  
1797 C2H2O4 Oxalic Acid oxalic  
1798 C2H3NO3 Oxamic acid oxamic  
1799 C4H4O2 2(5H)-Furanone furanone  
1800 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1801 C2H4N2O2 Oxalamide oxalamide  
1802 C2H4N2S2 Ethanedithioamide c79403  
1803 C2H4CO3 Ethylene carbonate etco3  
1804 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1805 C3H4S3 1,3-Dithiolane-2-thione c822388  
1806 C2H4O4 Formic acid dimer fadimer  
1807 C4H5NO 3-Methylisoxazole isox3m  
1808 C4H5NO Isoxazole, 5-methyl- c5765446  
1809 C4H5NS 4-Methylthiazole c693958  
1810 C2H5NO3 Nitric acid, ethyl ester c625581  
1811 C5H6O 2H-Pyran pyran2  
1812 C5H6O 2-methylfuran furan2m  
1813 C5H6O 3-Methylfuran furan3m  
1814 C5H6O Pentadienal pdal  
1815 C5H6S Thiophene, 2-methyl- c554143  
1816 C5H6S Thiophene, 3-methyl- c616444  
1817 C4H6O2 γ–Butyrolactone c96480  
1818 C4H6O2 2,3-Butanedione c431038  
1819 C4H6O2 2-Propenoic acid, methyl ester c96333  
1820 C4H6O2 Crotonic Acid crot  
1821 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1822 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1823 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1824 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1825 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1826 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1827 C4H6OS Vinyl sulfoxide c1115157  
1828 CH6N4S Carbonothioic dihydrazide thiacarb  
1829 C2H6N2O2 (E)-Azodioxymethane c37765154  
1830 C2H6N2O2 Dimethylnitroamine c4164287  
1831 C3H6O3 1,3,5-Trioxane trioxane  
1832 C3H6S3 1,3,5-Trithiane c3h6s3  
1833 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1834 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1835 C4H7NO 2-Pyrrolidinone c616455  
1836 C4H7NO Ethoxyacetonitrile etoaccn  
1837 C4H7NO Methacrylamide c79390  
1838 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1839 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1840 C3H7ONO Propyl nitrite prono  
1841 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1842 CH3CH(NH2)COOH Alanine alanine  
1843 CH3NHCH2COOH Sarcosine sarcosine  
1844 NH2CH2CH2COOH β–alanine betaalanine  
1845 NH2COOC2H5 Urethane urethane  
1846 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1847 C5H8O Cyclopentanone c120923  
1848 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1849 C5H8O Methyl cyclopropyl ketone c765435  
1850 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1851 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1852 NH2CONHC2H5 Urea, ethyl- c625525  
1853 C4H8O2 1,3-Dioxane dioxan13  
1854 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1855 C4H8O2 1,4-Dioxane dioxan14  
1856 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1857 C4H8O2 Ethyl acetate c141786  
1858 C4H8OS s-Ethyl thioacetate c625605  
1859 C3H8O3 1,2,3-Propanetriol glycerin  
1860 C3H8O2S (Methylsulfonyl)ethane c594434  
1861 C4H9NO Butanamide c541355  
1862 C4H9NO Propanamide, 2-methyl- c563837  
1863 C5H10O 2-Butanone, 3-methyl- c563804  
1864 C5H10O 2H-Pyran, tetrahydro- c142687  
1865 C5H10O 2-methylbutyraldehyde 2meba  
1866 C5H10O 2-Pentanone mpk  
1867 C5H10O 3-Pentanone dek  
1868 C5H10O Cyclopentanol c96413  
1869 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1870 C5H10O Pentanal pal  
1871 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1872 C5H10S 3-Ethylthio-1-propene c5296628  
1873 C5H10S Cyclopentanethiol c1679078  
1874 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1875 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1876 C4H10O2 1,1-Dimethoxyethane c534156  
1877 C4H10O2 1,3-Butanediol budiol13  
1878 C4H10O2 1,4-Butanediol budiol14  
1879 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1880 C4H10OS Diethyl sulfoxide c70291  
1881 C4H10S2 1,4-Butanedithiol budisl14  
1882 C4H11NO Diethylhydroxylamine c3710847  
1883 C5H12O 1-Butanol, 2-methyl- c137326  
1884 C5H12O 1-Butanol, 3-methyl- c123513  
1885 C5H12O 1-Pentanol pentanol1  
1886 C5H12O 2-Butanol, 3-methyl- c598754  
1887 C5H12O 2-Pentanol peol2  
1888 C5H12O 3-Pentanol pentan3ol  
1889 C5H12O Butane, 1-methoxy- meobu  
1890 C5H12O Propane, 1-ethoxy- proet  
1891 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1892 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1893 C5H12S 1-Butanethiol, 3-methyl- c541311  
1894 C5H12S 1-Pentanethiol c110667  
1895 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1896 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1897 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1898 C5H12S Butane, 1-(methylthio)- c628295  
1899 C5H12S Ethyl propyl sulfide c4110503  
1900 C5H12S Propane, 2-(ethylthio)- c5145993  
1901 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1902 C4F2 difluorobutadiyne c4f2  
1903 ClCOClCO Oxalyl chloride oxcl  
1904 CF3CN Acetonitrile, trifluoro- cf3cn  
1905 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1906 B2F4 Diboron tetrafluoride b2f4  
1907 B2Cl4 Diboron tetrachloride b2cl4  
1908 C2F4 Tetrafluoroethylene c2f4  
1909 C2F4+ Tetrafluoroethylene cation c2f4+  
1910 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1911 CF2CCl2 difluorodichloroethylene cf2ccl2  
1912 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1913 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1914 C2FCl3 fluorotrichloroethene c2fcl3  
1915 C2Cl4 Tetrachloroethylene c2cl4  
1916 C2Br4 tetrabromoethene c2br4  
1917 CF3OF Trifluoromethylhypofluorite cf3of  
1918 SiF5- silicon pentafluoride anion sif5-  
1919 SOF4 Sulfur tetrafluoride oxide sof4  
1920 PF5 Phosphorus pentafluoride pf5  
1921 AsF5 Arsenic pentafluoride asf5  
1922 PCl5 Phosphorus pentachloride pcl5  
1923 SF5 Sulfur pentafluoride sf5  
1924 SF5+ pentafluoro sulfur cation sf5+  
1925 SbCl5 Antimony pentachloride sbcl5  
1926 BrF5 bromine pentafluoride brf5  
1927 ClF5 chlorinepentafluoride clf5  
1928 CF3CHO trifluoroacetaldehyde cf3cho  
1929 CCl3CHO trichloroacetaldehyde ccl3cho  
1930 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1931 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1932 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1933 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1934 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1935 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1936 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1937 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1938 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1939 CF3COOH trifluoroacetic acid cf3cooh  
1940 C4H3ClO Furan, 2-chloro fur2cl  
1941 C4H3ClO Furan,3-chloro fur3cl  
1942 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1943 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1944 C4H8Cl2 1,4-Dichlorobutane c110565  
1945 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1946 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1947 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1948 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1949 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1950 C5H11Cl Pentane, 1-chloro- pencl1  
1951 C4H8O2 Butanoic acid bua  
1952 C6H5CH2 benzyl radical benzyl  
1953 C7H7 cycloheptatrienyl radical c7h7  
1954 C7H7+ cycloheptatrienyl cation c7h7+  
1955 C6H5CH3 toluene toluene  
1956 C7H8 cycloheptatriene cht  
1957 C7H8 Norbornadiene norbor  
1958 C7H8 Quadricyclane qucy  
1959 C7H12 Norbornane nor  
1960 C7H14 cycloheptane c7h14  
1961 C7H16 2-methylhexane 2mhex  
1962 C7H16 3-methylhexane hex3m  
1963 C7H16 heptane heptane  
1964 CH(CN)3 tricyanomethane mecn3  
1965 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1966 C6H7N 2-Methylpyridine mp  
1967 C6H5NH2 aniline aniline  
1968 C6H13N 2-Methylpiperidine pip2m  
1969 C6H13N cyclohexanamine cham  
1970 C6H15N triethylamine tea  
1971 N2O5 Dinitrogen pentoxide n2o5  
1972 C4H2O3 Maleic Anhydride malan  
1973 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1974 C5H4O2 furfural furfural  
1975 C6H5O phenoxy radical phenoxy  
1976 C5H5NO 2(1H)-Pyridinone c72762006  
1977 C5H5NO 2(3H)-Pyridinone c9000048  
1978 C5H5NO 2(5H)-Pyridinone c9000037  
1979 C5H5NO 2-Pyridinol c109104  
1980 C5H5NO 3(2H)-Pyridinone c9000004  
1981 C5H5NO 3(4H)-Pyridinone c9000026  
1982 C5H5NO 3(6H)-Pyridinone c9000015  
1983 C5H5NO 3-Pyridinol c109002  
1984 C5H5NO 4(1H)-Pryidinone c9000060  
1985 C5H5NO 4(3H)-Pryidinone c9000059  
1986 C5H5NO 4-Pyridinol c626642  
1987 C6H5OH phenol phenol  
1988 C6H6O 2,4-Cyclohexadienone c24599573  
1989 C6H6O 2,5-Cyclohexadienone c5664335  
1990 C6H5SH Benzenethiol phsh  
1991 HO2CCHNH2CH2OH Serine serine  
1992 C5H8O2 Acetylacetone acac  
1993 C4H8O2S Sulfolane sulfolane  
1994 C7H10 Norbornene norbornene  
1995 CH(C2H3)3 trivinyl methane tvm  
1996 C6H10O cyclohexanone chexo  
1997 C6H12O hexanal c6h12o  
1998 C6H12O Oxepane oxepane  
1999 C3H7OC3H7 di-n-propyl ether propr  
2000 F2CCCF2 tetrafluoroallene pfa  
2001 CF3COO- trifluoro acetate anion cf3coo-  
2002 CF3COF trifluoroacetyl fluoride cf3cof  
2003 CF3COCl trifluoroacetyl chloride cf3cocl  
2004 PF6 Hexafluorophosphate neutral pf6  
2005 PF6- Hexafluorophosphate ion pf6-  
2006 SF6 Sulfur Hexafluoride sf6  
2007 SeF6 Selenium hexafluoride sef6  
2008 SF5Cl sulfur chloropentafluoride sf5cl  
2009 CF3CHF2 pentafluoroethane cf3chf2  
2010 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2011 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2012 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2013 CCl3CHCl2 pentachloroethane ccl3chcl2  
2014 C6H5F Fluorobenzene bzf  
2015 C6H5Cl chlorobenzene bzcl  
2016 C6H5Br bromobenzene bzbr  
2017 C8H6 Calicene calicene  
2018 C6H5CCH phenylacetylene phac  
2019 C8H6 benzocyclobutadiene bcbd  
2020 C8H6 Pentalene pentalene  
2021 C6H5CHCH2 Styrene styrene  
2022 C8H8 cubane cubane  
2023 C8H8 cyclooctatetraene cot  
2024 C6H5CH2CH3 Ethylbenzene etbz  
2025 CH3C6H4CH3 meta-xylene mxylene  
2026 CH3C6H4CH3 paraxylene pxylene  
2027 C8H14 Bicyclo[2.2.2]octane bico222  
2028 C8H16 cyclooctane cyclooct  
2029 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2030 C8H18 Octane c8h18  
2031 C6H5CN phenyl cyanide phcn  
2032 C6H12N2 Triethylenediamine ted  
2033 C4O4-- squarate dianion c4o4--  
2034 S4N4 Tetrasulfur tetranitride s4n4  
2035 S8 Octasulfur s8  
2036 C6H4O2 parabenzoquinone pbq  
2037 C4H4N2O2 Uracil uracil  
2038 C6H5CHO benzaldehyde benzal  
2039 C6H5OCH3 Anisole anisole  
2040 C5H9NO2 Proline proline  
2041 C6H12O2 Methyl pivalate c598981  
2042 C6H12O2 Hexanoic acid hexa  
2043 C4F4 tetrafluorcyclobutadiene c4f4  
2044 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2045 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2046 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2047 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2048 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2049 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2050 C2F6 hexafluoroethane c2f6  
2051 C2Cl6 hexachloroethane c2cl6  
2052 IF7 Iodine heptafluoride if7  
2053 C6H4F2 metadifluorobenzene mdfb  
2054 C6H4F2 orthodifluorobenzene odfb  
2055 C6H4F2 1,4-difluorobenzene pdfb  
2056 C6H4Cl2 1,2-dichlorobenzene dcb12  
2057 C6H4Cl2 1,3-dichlorobenzene dcb13  
2058 C6H4Cl2 1,4-dichlorobenzene dcb14  
2059 C6H5NO nitrosobenzene bzno  
2060 C9H8 Indene indene  
2061 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2062 C9H12 n-propyl benzene prbz  
2063 C9H20 Nonane nonane  
2064 C(CN)4 tetracyanomethane c5n4  
2065 C5H4N4 purine purine  
2066 C8H7N Indole indole  
2067 C3H3N3O3 cyanuric acid cyanuric  
2068 C6H5NO2 Nitrobenzene c6h5no2  
2069 C6H5COOH benzoic acid benzo  
2070 CH3COC6H5 acetophenone acph  
2071 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2072 C3F6 hexafluoropropene c3f6  
2073 C6H3F3 Benzene trifluoride 123 bzf3a  
2074 C8H18O 1-Octanol octanol  
2075 C10H8 Azulene azu  
2076 C10H8 naphthalene naph  
2077 C10H10 bullvalene bullv  
2078 C10H16 adamantane adamantane  
2079 C6N4 Tetracyanoethylene tcne  
2080 C6N4- tetracyanoethylene anion tcne-  
2081 C10H22 Decane decane  
2082 C4F6 perfluorobutadiene c4f6  
2083 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2084 C3F8 perfluoropropane c3f8  
2085 Fe(CO)5 Iron pentacarbonyl ipc  
2086 Fe(C5H5)2 ferrocene fecp2  
2087 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2088 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2089 C12H8 Acenaphthylene acenaph  
2090 C12H8 biphenylene biph  
2091 C12H10 biphenyl biphenyl  
2092 C12H10 Heptalene heptalene  
2093 C6H12O6 Inositol inositol  
2094 C6F6 hexafluorobenzene c6f6  
2095 S2F10 disulphur decafluoride s2f10  
2096 C13H10 Fluorene fluorene  
2097 C14H10 Anthracene anth  
2098 C14H10 Phenanthrene phenanthrene  
2099 C14H14 Bibenzyl bibenzyl  
2100 C12H10N2 azobenzene azobenzene  
2101 C6H5COC6H5 benzophenone benzophenone  
2102 C16H10 Pyrene pyrene  
2103 C18H12 Tetracene tetracene  
2104 C19H16 Triphenylmethane tpm  
2105 C24H12 Coronene coronene  
2106 C60 Buckminsterfullerene c60