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 MP4 /6-31+G**

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 K Potassium atom 2SKh
6 Cu Copper atom 2SKh
7 LiH Lithium 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 Zn Zinc atom 1SKh
13 B Boron atom 2PKh
14 B Boron atom 4PKh
15 B+ Boron atom cation 1SKh
16 Al Aluminum atom 2PKh
17 Al+ Aluminum atom cation 1SKh
18 C Carbon atom 3P0Kh
19 C Carbon atom 3P1Kh
20 C+ Carbon atom cation 2PKh
21 Si Silicon atom 3PKh
22 Si Silicon atom 1SKh
23 Si+ Silicon atom cation 2PKh
24 CH4 Methane 1A1Td
25 N Nitrogen atom 4SKh
26 N Nitrogen atom 2DKh
27 N+ Nitrogen atom cation 3PKh
28 P Phosphorus atom 4SKh
29 NH3 Ammonia 1A1C3v
30 O Oxygen atom 3SKh
31 O+ Oxygen atom cation 4SKh
32 S Sulfur atom 3PKh
33 OH Hydroxyl radical 2ΠC∞v
34 H2O Water 1A1C2v
35 F Fluorine atom 2PKh
36 F+ Fluorine atom cation 3SKh
37 Cl Chlorine atom 2PKh
38 Cl+ Chlorine atom cation 3PKh
39 Br Bromine atom 2PKh
40 HF Hydrogen fluoride 1ΣC∞v
41 HCl Hydrogen chloride 1ΣC∞v
42 Ne Neon atom 1SKh
43 Ne+ Neon atom cation 2PKh
44 Ar Argon atom 1SKh
45 NaLi lithium sodium 1ΣC∞v
46 Na2 Sodium diatomic 1ΣgD∞h
47 Si2 Silicon diatomic 3ΣgD∞h
48 C2H2 Acetylene 1ΣgD∞h
49 C2H4 Ethylene 1AgD2h
50 C2H6 Ethane 1A1gD3d
51 N2 Nitrogen diatomic 1ΣgD∞h
52 HCN Hydrogen cyanide 1ΣC∞v
53 CO Carbon monoxide 1ΣC∞v
54 CS carbon monosulfide 1ΣC∞v
55 NO Nitric oxide 2ΠC∞v
56 O2 Oxygen diatomic 3ΣgD∞h
57 HO2 Hydroperoxy radical 2A"Cs
58 H2CO Formaldehyde 1A1C2v
59 BF Boron monofluoride 1ΣC∞v
60 F2 Fluorine diatomic 1ΣgD∞h
61 Cl2 Chlorine diatomic 1ΣgD∞h
62 C3H5 Allyl radical 2A2C2v
63 C3H6 Cyclopropane 1A1'D3h
64 CH2CHCH3 Propene 1A'Cs
65 CO2 Carbon dioxide 1ΣgD∞h
66 SO2 Sulfur dioxide 1A1C2v
67 CH3CO Acetyl radical 2A'Cs
68 BF3 Borane, trifluoro- 1A'D3h
69 AlF3 Aluminum trifluoride 1A1'D3h

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 anion h-  
5 H+ Hydrogen atom cation h+  
6 D2 Deuterium diatomic d2  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 HD Deuterium hydride hd  
10 H3+ hydrogen trimer cation h3+  
11 He- Helium atom anion he-  
12 He+ Helium atom cation he+  
13 HeH Helium hydride heh  
14 HeH+ Helium hydride cation heh+  
15 He2+ helium diatomic cation he2+  
16 Li- Lithium atom anion li-  
17 Li+ Lithium atom cation li+  
18 Na- Sodium atom anion na-  
19 Na+ Sodium atom cation na+  
20 K- Potassium atom anion k-  
21 K+ Potassium atom cation k+  
22 Cu- Copper atom anion cu-  
23 Cu+ Copper atom cation cu+  
24 LiH- lithium hydride anion lih-  
25 LiH+ lithium hydride cation lih+  
26 NaH sodium hydride nah  
27 NaH- sodium hydride anion nah-  
28 NaH+ sodium hydride cation nah+  
29 KH Potassium hydride kh  
30 KH+ Potassium hydrogen cation kh+  
31 CuH Copper monohydride cuh  
32 Be- Beryllium atom anion be-  
33 Mg- Magnesium atom anion mg-  
34 Ca Calcium atom ca  
35 Ca- Calcium atom anion ca-  
36 Ca+ Calcium atom cation ca+  
37 Zn- Zinc atom anion zn-  
38 Zn+ Zinc atom cation zn+  
39 BeH beryllium monohydride beh  
40 BeH- berylium monohydride anion beh-  
41 BeH+ beryllium monohydride cation beh+  
42 MgH magnesium monohydride mgh  
43 MgH- magnesium monohydride anion mgh-  
44 MgH+ magnesium monohydride cation mgh+  
45 CaH Calcium monohydride cah  
46 CaH+ Calcium monohydride cation cah+  
47 TiH Titanium monohydride tih  
48 ZnH Zinc monohydride znh  
49 ZnH+ Zinc, protonated znh+  
50 BeH2 beryllium dihydride beh2  
51 BeH2+ Beryllium dihydride cation beh2+  
52 MgH2 magnesium dihydride mgh2  
53 CaH2 Calcium Hydride cah2  
54 ZnH2 Zinc hydride znh2  
55 B- Boron atom anion b-  
56 Al- Aluminum atom anion al-  
57 Sc Scandium atom sc  
58 Sc+ Scandium cation sc+  
59 Ga Gallium atom ga  
60 Ga- Gallium atom anion ga-  
61 Ga+ Gallium atom cation ga+  
62 BH Boron monohydride bh  
63 BH- boron monohydride anion bh-  
64 BH+ boron monohydride cation bh+  
65 AlH aluminum monohydride alh  
66 AlH- aluminum monohydride anion alh-  
67 AlH+ aluminum monohydride cation alh+  
68 ScH Scandium monohydride sch  
69 ScH+ Scandium monohydride cation sch+  
70 GaH Gallium monohydride gah  
71 GaH+ Gallium monohydride cation gah+  
72 BH2 boron dihydride bh2  
73 BH2- boron dihydride anion bh2-  
74 BH2+ Boron dihydride cation bh2+  
75 AlH2 aluminum dihydride alh2  
76 AlH2- aluminum dihydride anion alh2-  
77 AlH2+ aluminum dihydride cation alh2+  
78 BH3 boron trihydride bh3  
79 BH3- boron trihydride anion bh3-  
80 BH3+ boron trihydride cation bh3+  
81 AlH3 aluminum trihydride alh3  
82 AlH3- aluminum trihydride anion alh3-  
83 AlH3+ aluminum trihydride cation alh3+  
84 ScH3 Scandium trihydride sch3  
85 GaH3 Gallium trihydride gah3  
86 BH4 borohydride bh4  
87 BH4- borohydride anion bh4-  
88 AlH4- Aluminum tetrahydride anion alh4-  
89 C- Carbon atom anion c-  
90 Si- Silicon atom anion si-  
91 Ti Titanium atom ti  
92 Ti- Titanium atom anion ti-  
93 Ti+ Titanium atom cation ti+  
94 Ge Germanium atom ge  
95 Ge- Germanium anion ge-  
96 Ge+ Germanium cation ge+  
97 Sn Tin atom sn  
98 Sn+ Tin cation sn+  
99 CH Methylidyne ch  
100 CH- methylidyne anion ch-  
101 CH+ Methylidyne cation ch+  
102 SiH Silylidyne sih  
103 SiH- silicon monohydride anion sih-  
104 SiH+ silicon monohydride cation sih+  
105 GeH germylidene geh  
106 GeH+ Germaniun monohyrdide cation geh+  
107 CH2 Methylene ch2  
108 CH2- methylene anion ch2-  
109 CH2+ methylene cation ch2+  
110 SiH2 silicon dihydride sih2  
111 SiH2- silicon dihydride anion sih2-  
112 SiH2+ silicon dihydride cation sih2+  
113 GeH2 germylene geh2  
114 GeH2- germylene anion geh2-  
115 CH3 Methyl radical ch3  
116 CH3- methyl anion ch3-  
117 CH3+ methyl cation ch3+  
118 SiH3 Silyl radical sih3  
119 SiH3- Silyl anion sih3-  
120 SiH3+ Silyl cation sih3+  
121 GeH3 Germyl radical geh3  
122 GeH3+ germyl cation geh3+  
123 CD4 methane-d4 cd4  
124 CH2D2 methane-d2 ch2d2  
125 CH3D methane-d ch3d  
126 CH4- Methane anion ch4-  
127 CH4+ Methane cation ch4+  
128 CHD3 methane-d3 chd3  
129 SiH2D2 silane-d2 sih2d2  
130 SiH4 Silane sih4  
131 SiH4+ Silane cation sih4+  
132 GeH4 Germane geh4  
133 SnH4 Stannane snh4  
134 SiH5+ Silane, protonated sih5+  
135 N- Nitrogen atom anion n-  
136 P- Phosphorus atom anion p-  
137 P+ Phosphorus atom cation p+  
138 V Vanadium atom v  
139 V+ Vanadium atom cation v+  
140 As Arsenic atomic as  
141 As- Arsenic anion as-  
142 As+ Arsenic cation as+  
143 Sb Antimony atom sb  
144 NH Imidogen nh  
145 NH- Imidogen anion nh-  
146 NH+ imidogen cation nh+  
147 PH phosphorus monohydride ph  
148 PH- phosphorus monohydride anion ph-  
149 PH+ phosphorus monohydride cation ph+  
150 AsH Arsenic monohydride ash  
151 AsH+ Arsenic monohydride cation ash+  
152 SbH Antimony monohydride sbh  
153 ND2 Amidogen-d2 nd2  
154 NH2 Amino radical nh2  
155 NH2- amino anion nh2-  
156 NH2+ Amino cation nh2+  
157 PH2 Phosphino radical ph2  
158 PH2- Phosphino anion ph2-  
159 PH2+ Phosphino cation ph2+  
160 AsH2 Arsenic dihydride ash2  
161 AsH2+ Arsenic dihydride cation ash2+  
162 ND3 Ammonia-d3 nd3  
163 NH3- Ammonia anion nh3-  
164 NH3+ ammonia cation nh3+  
165 PH3 Phosphine ph3  
166 PH3+ Phosphine cation ph3+  
167 AsH3 Arsine ash3  
168 AsH3+ Arsine cation ash3+  
169 SbH3 Stibine sbh3  
170 AsH4+ Arsonium ash4+  
171 NH4 Ammonium radical nh4  
172 NH4+ ammonium cation nh4+  
173 PH4 Phosphoranyl radical ph4  
174 PH4+ phosphonium cation ph4+  
175 O- Oxygen atom anion o-  
176 S- Sulfur atom anion s-  
177 S+ Sulfur atom cation s+  
178 Cr Chromium atom cr  
179 Se Selenium atom se  
180 Se- Selenium atom anion se-  
181 Se+ Selenium atom cation se+  
182 Te Tellurium atom te  
183 Te+ Tellurium atom cation te+  
184 DO Hydroxyl-d od  
185 OH- hydroxide anion oh-  
186 OH+ hydoxyl cation oh+  
187 DS Mercapto-d ds  
188 HS Mercapto radical hs  
189 HS- mercapto anion sh-  
190 HS+ sulfur monohydride cation sh+  
191 CrH Chromium hydride crh  
192 CrH+ Chromium hydride cation crh+  
193 HSe Selenium monohydride hse  
194 HSe- selenium monohydride anion hse-  
195 HSe+ selenium monohydride cation hse+  
196 TeH Telluryl radical teh  
197 D2O Deuterium oxide d2o  
198 H2O- water anion h2o-  
199 H2O+ water cation h2o+  
200 HDO Water-d1 hdo  
201 D2S Hydrogen sulfide-d2 d2s  
202 H2S Hydrogen sulfide h2s  
203 H2S- Hydrogen sulfide anion h2s-  
204 H2S+ Hydrogen sulfide cation h2s+  
205 H2Se Hydrogen selenide h2se  
206 H2Se+ Hydrogen selenide cation h2se+  
207 H2Te Hydrogen Telluride h2te  
208 H3O+ hydronium cation h3o+  
209 H3S+ Sulfonium cation h3s+  
210 H3Se+ Hydrogen Selenide, protonated h3se+  
211 F- Fluorine atom anion f-  
212 Cl- Chlorine atom anion cl-  
213 Mn Manganese atom mn  
214 Br- Bromine atom anion br-  
215 Br+ Bromine atom cation br+  
216 I Iodine atom iodine  
217 I- Iodine atom anion iodine-  
218 I+ Iodine atom cation iodine+  
219 DF Hydrofluoric acid-d df  
220 HF- hydrogen fluoride anion hf-  
221 HF+ hydrogen fluoride cation hf+  
222 DCl Hydrochloric acid-d dcl  
223 HCl- hydrogen chloride anion hcl-  
224 HCl+ hydrogen chloride cation hcl+  
225 HBr hydrogen bromide hbr  
226 HBr- hydrogen bromide anion hbr-  
227 HBr+ hydrogen bromide cation hbr+  
228 HI Hydrogen iodide hi  
229 HI+ Hydrogen iodide cation hi+  
230 H2F+ dihydrogen fluoride cation h2f+  
231 H2Cl+ dihydrogen monochloride cation h2cl+  
232 H2Br+ protonated hydrogen bromide h2br+  
233 H2I+ Iodonium h2i+  
234 Ne- Neon atom anion ne-  
235 Ar- Argon atom anion ar-  
236 Ar+ Argon atom cation ar+  
237 Fe Iron atom fe  
238 Kr Krypton atom kr  
239 Kr+ Krypton cation kr+  
240 Xe Xenon atom xe  
241 HeLi+ Helium Lithium cation heli+  
242 NeH neon hydrogen neh  
243 NeH+ neon hydrogen cation neh+  
244 ArH+ Argon hydride cation arh+  
245 KrH+ Protonated Krypton krh+  
246 XeH+ Xenon, protonated xeh+  
247 H2Ar H2 Ar dimer h2ar  
248 Co Cobalt atom cobalt  
249 Ni Nickel atom ni  
250 Li2 Lithium diatomic li2  
251 Li2- lithium diatomic anion li2-  
252 Li2+ lithium diatomic cation li2+  
253 NaLi- lithium sodium anion lina-  
254 NaLi+ lithium sodium cation lina+  
255 LiK Lithium Potassium lik  
256 Na2- sodium diatomic anion na2-  
257 Na2+ sodium diatomic cation na2+  
258 NaK Sodium Potassium nak  
259 NaK+ Sodium Potassium diatomic cation nak+  
260 K2 Potassium diatomic k2  
261 Cu2 Copper diatomic cu2  
262 LiBe Lithium Beryllium libe  
263 LiMg Lithium magnesium limg  
264 NaBe Sodium Beryllium nabe  
265 NaMg Sodium Magnesium namg  
266 Be2 Beryllium diatomic be2  
267 Be2- Beryllium diatomic anion be2-  
268 Be2+ Beryllium diatomic cation be2+  
269 BeMg Beryllium Magnesium bemg  
270 Mg2 Magnesium diatomic mg2  
271 Mg2- magnesium diatomic anion mg2-  
272 Mg2+ magnesium diatomic cation mg2+  
273 Ca2 Calcium diatomic ca2  
274 LiB Lithium boride lib  
275 LiAl Lithium Aluminum lial  
276 NaAl Sodium aluminum naal  
277 BeB Beryllium monoboride beb  
278 B2 Boron diatomic b2  
279 B2- Boron diatomic anion b2-  
280 B2+ Boron diatomic cation b2+  
281 BAl Boron Aluminum bal  
282 Al2 Aluminum diatomic al2  
283 Al2- aluminum diatomic anion al2-  
284 Al2+ aluminum diatomic cation al2+  
285 BGa Boron Gallium bga  
286 AlGa Aluminum Gallium alga  
287 Ga2 Gallium diatomic ga2  
288 HBBH Diborane(2) hbbh  
289 LiBH4 Lithium borohydride libh4  
290 B2H4 Diborane(4) D2d b2h4  
291 HBHHBH Diborane(4) C2V hbhhbh  
292 B2H6 Diborane b2h6  
293 B2H6+ Diborane cation b2h6  
294 Al2H6 dialane al2h6  
295 Ga2H6 digallane ga2h6  
296 LiC Lithium Carbide lic  
297 BeC Beryllium Carbide bec  
298 CaC Calcium monocarbide cac  
299 BC boron monocarbide bc  
300 BC- boron monocarbide anion bc-  
301 BC+ boron monocarbide cation bc+  
302 AlC Aluminum carbide alc  
303 BSi Boron silicide bsi  
304 C2 Carbon diatomic c2  
305 C2- carbon diatomic anion c2-  
306 C2+ carbon diatomic cation c2+  
307 SiC silicon monocarbide sic  
308 SiC- silicon monocarbide anion sic-  
309 SiC+ silicon monocarbide cation sic+  
310 Si2- silcon diatomic anion si2-  
311 Si2+ silcon diatomic cation si2+  
312 GeC Germanium monocarbide gec  
313 SiGe Silicon Germanium sige  
314 Ge2 Germanium diatomic ge2  
315 C2H Ethynyl radical c2h  
316 C2H- Ethynyl anion c2h-  
317 C2H+ Ethynyl cation c2h+  
318 ZnCH2 Zinc methylene znch2  
319 C2H2+ acetylene cation c2h2+  
320 CCH2 vinylidene vinylidene  
321 H2CC- vinylidene anion h2cc-  
322 HCCH- acetylene anion c2h2-  
323 Si2H2 disilyne si2h2  
324 CH3Li methyl lithium ch3li  
325 CuCH3 monomethyl copper cuch3  
326 ZnCH3 Zinc monomethyl znch3  
327 CH2BH methyleneborane ch2bh  
328 C2H3 vinyl c2h3  
329 C2H3- vinyl anion c2h3-  
330 C2H3+ vinyl cation c2h3+  
331 C2H4- Ethylene anion c2h4-  
332 C2H4+ Ethylene cation c2h4+  
333 CH3CH methylmethylene ch3ch  
334 CH2SiH2 silaethylene ch2sih2  
335 Si2H4 Disilene si2h4  
336 CH3BH2 methylborane ch3bh2  
337 C2H5 Ethyl radical c2h5  
338 C2H5- Ethyl anion c2h5-  
339 C2H5+ Ethyl cation c2h5+  
340 C2H6+ ethane cation c2h6+  
341 CH3SiH3 methyl silane ch3sih3  
342 Si2H6 disilane si2h6  
343 GeH3CH3 methyl germane geh3ch3  
344 C2H7+ Ethane, protonated c2h7+  
345 LiN Lithium Nitride lin  
346 LiN+ Lithium Nitride cation lin+  
347 LiP Lithium monophosphide lip  
348 BeN Beryllium mononitride ben  
349 BeN- Beryllium mononitride anion ben-  
350 BeN+ Beryllium mononitride cation ben+  
351 MgN Magnesium Nitride mgn  
352 BN- boron nitride anion bn-  
353 AlN- aluminum mononitride anion aln-  
354 AlN+ aluminum mononitride cation aln+  
355 BP Boron monophosphide bp  
356 AlP Aluminum monophosphide alp  
357 GaN Gallium mononitride gan  
358 GaP Gallium monophosphide gap  
359 GaAs Gallium arsenide gaas  
360 BN boron nitride bn  
361 BN+ boron nitride cation bn+  
362 AlN Aluminum nitride aln  
363 CN Cyano radical cn  
364 CN- cyanide anion cn-  
365 CN+ Cyano cation cn+  
366 CP Carbon monophosphide cp  
367 CP- carbon monophosphide anion cp-  
368 CP+ carbon monophosphide cation cp+  
369 SiN Silicon nitride sin  
370 SiN- silicon mononitride anion sin-  
371 SiN+ silicon mononitride cation sin+  
372 SiP Silicon monophosphide sip  
373 SiP- Silicon monophosphide anion sip-  
374 SiP+ Silicon monophosphide cation sip+  
375 TiN Titanium mononitride tin  
376 N2- nitrogen diatomic anion n2-  
377 N2+ diatomic nitrogen cation n2+  
378 PN Phosphorus mononitride pn  
379 PN- phosphorus nitride anion pn-  
380 PN+ phosphorus nitride cation pn+  
381 P2 Phosphorus diatomic p2  
382 P2- phosphorus diatomic anion p2-  
383 P2+ phosphorus diatomic cation p2+  
384 AsN Arsenic mononitride asn  
385 AsP Arsenic monophosphide asp  
386 SbN Antimony nitride sbn  
387 As2 Arsenic diatomic as2  
388 HNB hydrogen nitrogen boron hnb  
389 HNC hydrogen isocyanide hnc  
390 HCN- Hydrogen cyanide anion hcn-  
391 HCN+ hydrogen cyanide cation hcn+  
392 HNC+ hydrogen isocyanide cation hnc+  
393 HCP Phosphaethyne hcp  
394 HCP+ Phosphaethyne cation hcp+  
395 NNH Dinitrogen monohydride nnh  
396 NNH+ Dinitrogen monohydride cation nnh+  
397 HPO Hydrogen phosphorus oxide hpo  
398 HPO+ Hydrogen phosphorus oxide cation hpo+  
399 LiNH2 lithium amide linh2  
400 HBNH Boranimine hbnh  
401 CNH2 Aminomethylidyne radical cnh2  
402 CNH2+ N-protonated hydrogen isocyanide cnh2+  
403 H2CN Dihydrogen cyanide radical h2cn  
404 H2CN+ hydrocyanonium cation h2cn+  
405 HCNH methyleneazane hcnh  
406 HCNH+ N-protonated HCN hcnh+  
407 H2NN Isodiazene h2nn  
408 N2H2 (E)-diazene n2h2  
409 N2H2 (Z)-Diazene n2h2z  
410 N2H2+ trans-diazene cation n2h2+  
411 CH2NH Methanimine ch3n  
412 CH2NH+ Methanimine cation ch2nh+  
413 CHNH2 aminomethylene chnh2  
414 CHNH2+ Aminocarbene cation chnh2+  
415 CH2PH Phosphaethene ch3p  
416 BH2NH2 Boranamine bh2nh2  
417 CH2NH2+ methyleneamine cation ch2nh2+  
418 N2H4 Hydrazine n2h4  
419 N2H4+ hydrazine cation n2h4+  
420 P2H4 Diphosphine p2h4  
421 CH3NH2 methyl amine ch3nh2  
422 CH3NH2+ methyl amine cation ch3nh2+  
423 CH3PH2 Methyl phosphine ch3ph2  
424 SiH3NH2 Silane, amino sih3nh2  
425 N2H5+ protonated hydrazine n2h5+  
426 BH3PH3 borane phosphine bh3ph3  
427 BH3NH3 borane ammonia bh3nh3  
428 CH3NH3 methyl ammonium radical ch3nh3  
429 CH3NH3+ protonated methylamine ch3nh3+  
430 CH3PH3+ methyl phosphine, protonated ch3ph3+  
431 NH3NH3 Ammonia Dimer nh3nh3  
432 N2H7+ ammonia ammonium dimer n2h7+  
433 LiO lithium oxide lio  
434 LiO- lithium oxide anion lio-  
435 LiO+ lithium oxide cation lio+  
436 LiS Lithium monosulfide lis  
437 LiS+ Lithium sulfide cation lis+  
438 NaO sodium monoxide nao  
439 NaO- sodium oxide anion nao-  
440 NaO+ sodium oxide cation nao+  
441 KO Potassium monoxide ko  
442 KO+ Potassium monoxide cation ko+  
443 NaS Sodium sulfide nas  
444 CuO Copper Monoxide cuo  
445 LiSe Lithium monoselenide lise  
446 BeO beryllium oxide beo  
447 BeO- Beryllium monoxide anion beo-  
448 BeO+ Beryllium monoxide cation beo+  
449 BeS beryllium sulfide bes  
450 MgO magnesium oxide mgo  
451 MgO- magnesium oxide anion mgo-  
452 MgO+ magnesium oxide cation mgo+  
453 CaO Calcium monoxide cao  
454 MgS magnesium sulfide mgs  
455 MgS- magnesium sulfide anion mgs-  
456 MgS+ magnesium sulfide cation mgs+  
457 CaS Calcium sulfide cas  
458 ZnO zinc monoxide zno  
459 ZnS Zinc sulfide zns  
460 BeS- Beryllium monosulfide anion bes-  
461 BeS+ Beryllium monosulfide cation bes+  
462 BO boron monoxide bo  
463 BO- boron monoxide anion bo-  
464 AlO Aluminum monoxide alo  
465 AlO- Aluminum monoxide anion alo-  
466 AlO+ aluminum monoxide cation alo+  
467 BS boron sulfide bs  
468 BS- boron monosulfide anion bs-  
469 BS+ boron monosulfide cation bs+  
470 AlS Aluminum sulfide als  
471 AlS- aluminum monosulfide anion als-  
472 AlS+ aluminum monosulfide cation als+  
473 ScO Scandium monoxide sco  
474 GaO Gallium monoxide gao  
475 GaS Gallium monosulfide gas  
476 BO+ boron monoxide cation bo+  
477 CO- carbon monoxide anion co-  
478 CO+ carbon monoxide cation co+  
479 CS- carbon monosulfide anion cs-  
480 CS+ carbon monosulfide cation cs+  
481 SiO Silicon monoxide sio  
482 SiO- silicon monoxide anion sio-  
483 SiO+ silicon monoxide cation sio+  
484 SiS silicon monosulfide sis  
485 SiS- silicon monosulfide anion sis-  
486 SiS+ silicon monosulfide cation sis+  
487 TiO Titanium monoxide tio  
488 CSe Carbon monoselenide cse  
489 CSe- Carbon monoselenide anion cse-  
490 CSe+ Carbon monoselenide cation cse+  
491 GeO Germanium monoxide geo  
492 GeO+ Germanium monoxide cation geo+  
493 GeS Germanium monosulfide ges  
494 SiSe Silicon Monoselenide sise  
495 SiSe+ Silicon Monoselenide cation sise+  
496 GeSe Germanium monoselenide gese  
497 NO- nitric oxide anion no-  
498 NO+ nitric oxide cation no+  
499 NS Mononitrogen monosulfide ns  
500 NS- nitrogen sulfide anion ns-  
501 NS+ nitrogen sulfide cation ns+  
502 PO Phosphorus monoxide po  
503 PO- phosphorus monoxide anion po-  
504 PO+ phosphorus monoxide cation po+  
505 PS phosphorus sulfide ps  
506 PS- phosphorus monosulfide anion ps-  
507 PS+ phosphorus monosulfide cation ps+  
508 VO Vanadium monoxide vo  
509 AsO Arsenic monoxide aso  
510 NSe Nitrogen monoselenide nse  
511 AsS Arsenic monosulfide ass  
512 PSe Phosphorus monoselenide pse  
513 AsSe Arsenic monoselenide asse  
514 O2- oxygen diatomic anion o2-  
515 O2-- dioxygen dianion o2--  
516 O2+ diatomic oxygen cation o2+  
517 SO Sulfur monoxide so  
518 SO- sulfur monoxide anion so-  
519 SO+ sulfur monoxide cation so+  
520 S2 Sulfur diatomic s2  
521 S2- sulfur diatomic anion s2-  
522 S2+ sulfur diatomic cation s2+  
523 SeO Selenium monoxide seo  
524 SeO- selenium monoxide anion seo-  
525 SeO+ selenium monoxide cation seo+  
526 SeS Selenium monosulfide ses  
527 SeS- selenium monosulfide anion ses-  
528 SeS+ selenium monosulfide cation ses+  
529 TeO Tellurium monoxide teo  
530 Se2 Selenium diatomic se2  
531 Se2- selenium diatomic anion se2-  
532 Se2+ selenium diatomic cation se2+  
533 Te2 Tellurium diatomic te2  
534 LiOH lithium hydroxide lioh  
535 NaOH sodium hydroxide naoh  
536 KOH Potassium hydroxide koh  
537 BeOH beryllium monohydroxide beoh  
538 MgOH magnesium hydroxide mgoh  
539 CaOH Calcium monohydroxide caoh  
540 HBO Boron hydride oxide hbo  
541 HBS hydrogen boron sulfide hbs  
542 COH Hydroxymethylidyne coh  
543 COH+ Carbon Monoxide, protonated coh+  
544 HCO Formyl radical hco  
545 HCO- formyl anion hco-  
546 HCO+ Formyl cation hco+  
547 HCS Thioformyl radical hcs  
548 HCS- Thioformyl anion hcs-  
549 HCS+ Thioformyl cation hcs+  
550 HNO Nitrosyl hydride hno  
551 HNO- Nitrosyl hydride anion hno-  
552 HNO+ Nitrosyl hydride cation hno+  
553 NOH Hydroxyimidogen noh  
554 NOH+ O-protonated nitric oxide noh+  
555 HNS Sulfur imide hns  
556 HNS- Sulfur imide anion hns-  
557 HO2- Hydroperoxy anion ho2-  
558 HO2+ Hydroperoxy cation ho2+  
559 HSO+ Sulfur Monoxide, S-protonated HSO+  
560 SOH Sulfur Hydroxide soh  
561 SOH+ Sulfur Monoxide, protonated soh+  
562 HS2 Thiosulfeno radical hs2  
563 H2CO- formaldehyde anion h2co-  
564 H2CO+ formaldehyde cation h2co+  
565 HOCH hydroxycarbene hoch  
566 H2CS Thioformaldehyde h2cs  
567 H2CS- thioformaldehyde anion h2cs-  
568 H2CS+ thioformaldehyde cation h2cs+  
569 H2CSe Selenoformaldehyde h2cse  
570 H2NO nitroxide h2no  
571 H2O2 Hydrogen peroxide h2o2  
572 H2O2+ Hydrogen peroxide cation h2o2+  
573 H2OO water oxide h2oo  
574 HOSH hydrogen thioperoxide hosh  
575 H2S2 Disulfane h2s2  
576 H2S2+ hydrogen disulfide cation h2s2+  
577 H2Se2 hydrogen diselenide h2se2  
578 CH2OH Hydroxymethyl radical ch2oh  
579 CH2OH+ hydroxymethyl cation ch2oh+  
580 CH3O Methoxy radical ch3o  
581 CH3O- methoxy anion ch3o-  
582 CH3O+ Methoxy cation ch3o+  
583 CH3S thiomethoxy ch3s  
584 H2CSH+ Thioformaldehyde, protonated h2csh+  
585 NH2OH hydroxylamine nh2oh  
586 NH2OH+ Hydroxylamine cation nh2oh+  
587 NH3O Ammonia Oxide nh3o  
588 H2POH Phosphinous acid h2poh  
589 H3PO Phosphine oxide h3po  
590 NH2SH Thiohydroxylamine nh2sh  
591 NH3S sulfidoazane nh3s  
592 H3O2+ hydrogen peroxide, protonated h3o2+  
593 CH3OH Methyl alcohol ch3oh  
594 CH3OH- Methyl alcohol anion ch3oh-  
595 CH3OH+ Methyl alcohol cation ch3oh+  
596 CH3SH Methanethiol ch3sh  
597 CH3SH+ Methanethiol cation ch3sh+  
598 SiH3OH silanol sih3oh  
599 CH3SeH Methane selenol ch3seh  
600 NH2OH2+ protonated hydroxylamine nh2oh2+  
601 NH3OH+ N-protonated hydroxylamine nh3oh+  
602 H2OH2O water dimer h2oh2o  
603 CH3OH2+ Methanol, protonated ch3oh2+  
604 CH3SH2+ protonated methylsulfide ch3sh2+  
605 H2ONH3 Water Ammonia Dimer h2onh3  
606 H5O2+ Dihydroxonium ion h5o2+  
607 LiF lithium fluoride lif  
608 LiCl lithium chloride licl  
609 LiCl- lithium chloride anion licl-  
610 LiCl+ lithium chloride cation licl+  
611 NaF sodium fluoride naf  
612 NaF- sodium fluoride anion naf-  
613 NaF+ sodium fluoride cation naf+  
614 KF Potassium Fluoride kf  
615 NaCl Sodium Chloride nacl  
616 NaCl- sodium chloride anion nacl-  
617 NaCl+ sodium chloride cation nacl+  
618 KCl Potassium Chloride kcl  
619 CuF Copper monofluoride cuf  
620 LiBr Lithium Bromide libr  
621 LiBr- lithium bromide anion libr-  
622 LiBr+ lithium bromide cation libr+  
623 CuCl Copper monochloride cucl  
624 NaBr Sodium Bromide nabr  
625 NaBr- sodium bromide anion nabr-  
626 NaBr+ sodium bromide cation nabr+  
627 KBr Potassium Bromide kbr  
628 LiI Lithium Iodide lii  
629 NaI Sodium Iodide nai  
630 KI Potassium Iodide ki  
631 LiF- lithium fluoride anion lif-  
632 LiF+ lithium fluoride cation lif+  
633 BeF Beryllium monofluoride bef  
634 BeF- Beryllium monofluoride anion bef-  
635 BeF+ Beryllium monofluoride cation bef+  
636 BeCl beryllium monochloride becl  
637 MgF Magnesium monofluoride mgf  
638 MgF- magnesium fluoride anion mgf-  
639 MgF+ magnesium fluoride cation mgf+  
640 CaF Calcium monofluoride caf  
641 MgCl magnesium monochloride mgcl  
642 MgCl- magnesium monochloride anion mgcl-  
643 MgCl+ magnesium monochloride cation mgcl+  
644 CaCl calcium monochloride cacl  
645 TiCl Titanium Monochloride ticl  
646 ZnF Zinc monofluoride znf  
647 ZnF- Zinc monofluoride anion znf-  
648 ZnF+ Zinc monofluoride cation znf+  
649 ZnCl Zinc monochloride zncl  
650 CaBr Calcium monobromide cabr  
651 BeCl- beryllium monochloride anion becl-  
652 BeCl+ beryllium monochloride cation becl+  
653 BF- Boron monofluoride anion bf-  
654 BF+ Boron monofluoride cation bf+  
655 AlF Aluminum monofluoride alf  
656 AlF- Aluminum monofluoride anion alf-  
657 AlF+ Aluminum monofluoride cation alf+  
658 BCl boron monochloride bcl  
659 BCl- boron monochloride anion bcl-  
660 BCl+ boron monochloride cation bcl+  
661 AlCl Aluminum monochloride alcl  
662 AlCl- aluminum monochloride anion alcl-  
663 AlCl+ aluminum monochloride cation alcl+  
664 ScF Scandium monofluoride scf  
665 BBr Boron monobromide bbr  
666 GaF Gallium monofluoride gaf  
667 GaF+ Gallium monofluoride cation gaf+  
668 AlBr Aluminum monobromide albr  
669 GaCl Gallium monochloride gacl  
670 GaCl+ Gallium monochloride cation gacl+  
671 AlI Aluminum monoiodide ali  
672 GaBr Gallium monobromide gabr  
673 CF Fluoromethylidyne cf  
674 CF- carbon monofluoride anion cf-  
675 CF+ carbon monofluoride cation cf+  
676 CCl carbon monochloride ccl  
677 CCl- carbon monochloride anion ccl-  
678 CCl+ carbon monochloride cation ccl+  
679 SiF silicon monofluoride sif  
680 SiF- silicon monofluoride anion sif-  
681 SiF+ silicon monofluoride cation sif+  
682 SiCl Clorosilylidyne sicl  
683 SiCl- silicon monochloride anion sicl-  
684 SiCl+ silicon monochloride cation sicl+  
685 CBr Carbon monobromide cbr  
686 GeF Germanium monofluoride gef  
687 GeF+ Germanium monofluoride cation gef+  
688 GeCl Germanium monochloride gecl  
689 GeCl+ Germanium monochloride cation gecl+  
690 SiBr Silicon monobromide sibr  
691 SiBr+ Silicon monobromide cation sibr+  
692 NF nitrogen fluoride nf  
693 NF- nitrogen monofluorine anion nf-  
694 NF+ nitrogen monofluoirde cation nf+  
695 NCl nitrogen monochloride ncl  
696 NCl- nitrogen monochloride anion ncl-  
697 NCl+ nitrogen monochloride cation ncl+  
698 PF phosphorus monofluoride pf  
699 PF- phosphorus monofluoride anion pf-  
700 PF+ phosphorus monofluoride cation pf+  
701 PCl phosphorus chloride pcl  
702 PCl- phosphorus monochloride anion pcl-  
703 PCl+ phosphorus monochloride cation pcl+  
704 AsF Arsenic monofluoride asf  
705 NBr nitrogen monobromide nbr  
706 AsCl Arsenic monochloride ascl  
707 PBr Phosphorus monobromide pbr  
708 SbF Antimony monofluoride sbf  
709 SbCl Antimony monochloride sbcl  
710 FO Oxygen monofluoride fo  
711 FO- flourine oxide anion fo-  
712 FO+ fluorine monoxide cation fo+  
713 ClO Monochlorine monoxide clo  
714 ClO- chlorine monoxide anion clo-  
715 ClO+ chlorine monoxide cation clo+  
716 SF Monosulfur monofluoride sf  
717 SF- sulfur monofluoride anion sf-  
718 SF+ sulfur monofluoride cation sf+  
719 SCl sulfur monochloride scl  
720 SCl- sulfur monochloride anion scl-  
721 SCl+ sulfur monochloride cation scl+  
722 BrO Bromine monoxide bro  
723 BrO- Bromine monoxide anion bro-  
724 BrO+ Bromine monoxide cation bro+  
725 SeF Selenium monofluoride sef  
726 SBr Sulfur monobromide radical sbr  
727 SBr+ Sulfur monobromide cation sbr+  
728 SeCl Selenium monochloride secl  
729 IO Iodine monoxide io  
730 SeBr Selenium monobromide sebr  
731 BrCl Bromine monochloride brcl  
732 F2- flourine diatomic anion f2-  
733 F2+ flourine diatomic cation f2+  
734 ClF Chlorine monofluoride clf  
735 ClF- clorine monofluoride anion clf-  
736 ClF+ clorine monofluoride cation clf+  
737 Cl2- chlorine diatomic anion cl2-  
738 Cl2+ chlorine diatomic cation cl2+  
739 BrF Bromine monofluoride brf  
740 BrF- bromine fluoride anion brf-  
741 BrF+ bromine fluoride cation brf+  
742 BrCl- bromine chloride anion brcl-  
743 BrCl+ bromine chloride cation brcl+  
744 IF Iodine monofluoride if  
745 Br2 Bromine diatomic br2  
746 Br2- bromine diatomic anion br2-  
747 Br2+ bromine diatomic cation br2+  
748 ICl Iodine monochloride icl  
749 IBr Iodine monobromide ibr  
750 I2 Iodine diatomic i2  
751 I2+ Iodine diatomic cation i2+  
752 HCF Fluoromethylene hcf  
753 HCCl Chloromethylene hccl  
754 HSiF fluorosilylene hsif  
755 HSiCl Chlorosilylene hsicl  
756 HSiBr monobromosilylene hsibr  
757 CHBr bromomethylene chbr  
758 HOF Hypofluorous acid hfo  
759 DOCl Hypochlorous acid-d docl  
760 HOCl hypochlorous acid hocl  
761 HOCl+ hypochlorous acid cation hocl+  
762 HOBr Hypobromous acid hobr  
763 HOBr+ Hypobromous acid cation hobr+  
764 HOI Hypoiodous acid hoi  
765 F2H+ Fluorine, protonated f2h+  
766 FHF Hydrogen difluoride fhf  
767 FHF- Hydrogen difluoride anion fhf-  
768 ClFH+ Chlorine fluoride, F-protonated clfh+  
769 FClH+ Chlorine fluoride, Cl-protonated fclh+  
770 Cl2H+ Chlorine, protonated cl2h+  
771 CH2Br bromomethyl radical ch2br  
772 CH2F fluoromethyl radical ch2f  
773 CH2F+ fluoromethyl cation ch2f+  
774 CH2Cl+ chloromethyl cation ch2cl+  
775 CH2Cl chloromethyl radical ch2cl  
776 NH2F monofluoroamine nh2f  
777 NH2Cl chloramine nh2cl  
778 H2F2 Hydrogen fluoride dimer h2f2  
779 CH3F+ methyl fluoride cation ch3f+  
780 CD3F methylfluoride-d3 cd3f  
781 CH3F Methyl fluoride ch3f  
782 CD3Cl methyl chloride d3 cd3cl  
783 CH3Cl Methyl chloride ch3cl  
784 CH3Cl+ Methyl chloride cation ch3cl+  
785 SiH3F monofluorosilane sih3f  
786 SiH3Cl chlorosilane sih3cl  
787 CH3Br methyl bromide ch3br  
788 GeH3F monofluorogermane geh3f  
789 GeH3Cl monochlorogermane geh3cl  
790 SiH3Br bromosilane sih3br  
791 CH3I methyl iodide ch3i  
792 SiH3I Silyl Iodide sih3i  
793 NH3Cl+ protonated monochloroammonia nh3cl+  
794 CH3ClH+ methyl chloride, protonated ch3clh+  
795 NH4Cl Ammonium chloride nh4cl  
796 LiNe+ Lithium Neon cation line+  
797 Ne2 Neon diatomic ne2  
798 Ne2+ Neon diatomic cation ne2+  
799 Ar2 Argon diatomic ar2  
800 Ar2+ Argon diatomic cation ar2+  
801 Li3 Lithium trimer li3  
802 Li3+ Lithium trimer cation li3+  
803 C3 carbon trimer c3  
804 C3+ carbon trimer cation c3+  
805 SiC2 Silicon dicarbide sic2  
806 C3H3 cyclopropenyl radical cpr  
807 C3H3 Propargyl radical propargyl  
808 C3H3- Propargyl anion c3h3-  
809 C3H3+ cyclopropenyl cation cpr+  
810 C3H3+ Propargyl cation c3h3+  
811 C3H4 cyclopropene cprop  
812 CH2CCH2 allene allene  
813 CH3CCH propyne propyne  
814 C3H5+ Allyl cation allyl+  
815 CH3CHCH 1-propenyl radical ch3chch  
816 Zn(CH3)2 dimethyl zinc dmz  
817 C3H7 n-Propyl radical npropyl  
818 C3H7+ cyclopropane, protonated c3h7+  
819 CH3CHCH3 Isopropyl radical isopropyl  
820 CH3CHCH3+ Isopropyl cation prop2yl+  
821 C3H8 Propane propane  
822 SiH2(CH3)2 dimethylsilane dms  
823 Si3H8 trisilane si3h8  
824 LiCN lithium cyanide licn  
825 NaCN Sodium Cyanide nacn  
826 KCN Potassium cyanide kcn  
827 CuCN Copper cyanide cucn  
828 ZnCN Zinc monocyanide zncn  
829 ZnNC Zinc isocyanide znnc  
830 AlCN Aluminum monocyanide alcn  
831 AlNC Aluminum isocyanide alnc  
832 CN2 3H-Diazirin-3-ylidene cn2  
833 CNN Diazocarbene cnn  
834 NCN Cyanoimidogen ncn  
835 N3 azide radical n3  
836 N3- azide anion n3-  
837 N3+ azide cation n3+  
838 HCCN cyanomethylene hccn  
839 HCNN diazomethyl radical hcnn  
840 HN3 hydrogen azide hn3  
841 HN3+ Hydrazoic acid cation hn3+  
842 HNCNH diiminomethane hncnh  
843 CH2N2 diazirine ch2n2  
844 CH2NN diazomethane ch2nn  
845 NH2CN cyanamide cyanamide  
846 HNNNH+ 1,2-Triazadienium n2h3+  
847 NH2NN+ hydrazoic acid, protonated nh2nn+  
848 CH3CN Acetonitrile ch3cn  
849 CH3CN- acetonitrile anion ch3cn-  
850 CH3CN+ Acetonitrile cation ch3cn+  
851 CH3NC methyl isocyanide ch3nc  
852 CHNCH2 2H-Azirine c157164  
853 CHNHCH 1H-Azirine chnhch  
854 H2CCNH Ethenimine ch2cnh  
855 H2CNCH methyleneaminomethylene ch2nch  
856 HCCNH2 Ethynamine hccnh2  
857 HCNCH2+ 2H-Azirine cation hcnch2+  
858 HNCNH2+ diiminomethane, protonated hncnh2+  
859 NCNH3+ Cyanamide, protonated ncnh3+  
860 NH2CNH+ cyanamide, cn protonated nh2cnh+  
861 NH3CN+ cyanamide, amine protonated nh3cn+  
862 CH2CHNH vinylazine ch2chnh  
863 CH3CHN methylmethaniminyl radical ch3chn  
864 NHCHNH2 aminomethanimine cn2h4  
865 C2H5N Aziridine c2h5n  
866 CH2CHNH2 aminoethene aminoethene  
867 CH2NCH3 N-methylmethanimine nmm  
868 CH3CHNH ethanimine ethanimine  
869 NH2BHNH2 diaminoborane nh2bhnh2  
870 C2H5NH+ Protonated Aziridine c2h5nh+  
871 C2H6N+ aziridine, protonated c2h6n+  
872 NH2CH2NH2 diaminomethane nh2ch2nh2  
873 CH3CH2NH2 Ethylamine etam  
874 CH3NHCH3 Dimethylamine ch3nhch3  
875 CH3PHCH3 dimethylphosphine ch3phch3  
876 NH2CH2NH3+ diaminoethane, protonated pdam  
877 (CH3)2NH2+ dimethylammonium cation dmam  
878 CH3CH2NH3+ ethylamine, protonated pea  
879 Li2O dilithium oxide li2o  
880 Li2O+ dilithium oxide cation li2o+  
881 Li2S dilithium sulfide li2s  
882 Na2O disodium monoxide na2o  
883 Na2S Sodium sulfide na2s  
884 LiO2 Lithium dioxide lio2  
885 NaO2 Sodium superoxide nao2  
886 CCO Dicarbon monoxide cco  
887 CNO- fulminate cno-  
888 NCO isocyanato radical nco  
889 NCO- cyanate nco-  
890 SCN thiocyanato radical scn  
891 SCN- thiocyanide anion scn-  
892 BO2 Boron dioxide bo2  
893 BO2- Boron dioxide anion bo2-  
894 BO2+ Boron dioxide cation bo2+  
895 N2O Nitrous oxide n2o  
896 N2O- Nitrous oxide anion n2o-  
897 N2O+ Nitrous oxide cation n2o+  
898 NNS Nitrogen sulfide nns  
899 PPO Phosphorus oxide phosphide ppo  
900 CO2- Carbon dioxide anion co2-  
901 CO2+ Carbon dioxide cation co2+  
902 OCS Carbonyl sulfide cos  
903 OCS+ Carbonyl sulfide cation cos+  
904 SiO2 silicon dioxide sio2  
905 CS2 Carbon disulfide cs2  
906 CS2- Carbon disulfide anion cs2-  
907 CS2+ Carbon disulfide cation cs2+  
908 TiO2 Titanium dioxide tio2  
909 SiS2 Silicon disulfide sis2  
910 GeO2 Germanium dioxide geo2  
911 OCSe Carbonyl selenide ocse  
912 SCSe Carbon sulfide selenide scse  
913 GeS2 Germanium disulfide ges2  
914 CSe2 Carbon diselenide cse2  
915 SCTe Carbon sulfide Telluride scte  
916 NO2 Nitrogen dioxide no2  
917 NO2- Nitrogen dioxide anion no2-  
918 NO2+ Nitrogen dioxide cation no2+  
919 NSO sulfinyl amidogen NSO  
920 PO2 Phosphorus dioxide po2  
921 PO2- Phosphorus dioxide anion po2-  
922 PO2+ Phosphorus dioxide cation po2+  
923 SNO Nitrogen oxide sulfide sno  
924 AsO2 Aresenic dioxide aso2  
925 O3 Ozone o3  
926 O3- Ozone anion o3-  
927 O3+ Ozone cation o3+  
928 SO2- Sulfur dioxide anion so2-  
929 SO2+ Sulfur dioxide cation so2+  
930 SSO Disulfur monoxide sso  
931 S3 Sulfur trimer s3  
932 S3- Sulfur trimer anion s3-  
933 S3+ Sulfur trimer cation s3+  
934 SeO2 Selenium dioxide seo2  
935 SeO2+ Selenium dioxide cation seo2+  
936 TeO2 Tellurium Dioxide teo2  
937 HCCO ketenyl radical ketenyl  
938 CS2H+ Carbon disulfide, protonated cs2h+  
939 HCNO fulminic acid hcno  
940 HNCO Isocyanic acid hnco  
941 HOCN cyanic acid hocn  
942 HNCS Isothiocyanic acid hncs  
943 HSCN thiocyanic acid hscn  
944 HCO2- formate anion hco2-  
945 HNNO nitrosoazane hnno  
946 HNNO+ Nitrous oxide, N-protonated hnno+  
947 NNOH+ Nitrous Oxide, O-protonated nnoh+  
948 HCOO formate neutral radical hcoo  
949 HOCO Hydrocarboxyl radical hoco  
950 HOCO+ Hydrocarboxyl cation hoco+  
951 HNO2 Nitrous acid hno2  
952 HNO2+ nitrous acid cation hno2+  
953 O3H+ protonated ozone o3h+  
954 SO2H+ protonated sulfur dioxide so2h+  
955 C2H2O Oxirene oxirene  
956 CH2CO Ketene ch2co  
957 CH2CO+ Ketene cation ch2co+  
958 HCCOH ethynol hccoh  
959 CH2CS Thioketene ch2cs  
960 Be(OH)2 Beryllium hydroxide beo2h2  
961 Mg(OH)2 Magnesium dihydroxide h2mgo2  
962 NH2NO Nitrosamide nh2no  
963 CH2O2 Dioxirane diox  
964 H2COO Dioxymethyl radical h2coo  
965 H2COO+ dioxymethyl cation h2coo+  
966 HCOOH Formic acid ch2o2  
967 H2O3 Hydrogen trioxide h2o3  
968 HSSSH trisulfane hsssh  
969 NaOCH3 Sodium methoxide naoch3  
970 CH2BOH hydroxy(methylene)borane ch2boh  
971 BH3CO Borane carbonyl bh3co  
972 CH3BO Borane, methyloxo- ch3bo  
973 CH2CHO Vinyloxy radical ch2cho  
974 CH2COH+ ketene, protonated ch2coh+  
975 CH3CO- Acetyl anion ch3co-  
976 CH3CO+ acetyl cation ch3co+  
977 CH2NOH formaldoxime ch2noh  
978 CH3NO nitrosomethane ch3no  
979 CHONH2 formamide formamide  
980 CNOH3 1,2-oxaziridine cnoh3  
981 HOCHNH hydroxymethylimine hochnh  
982 CHSNH2 thioformamide chsnh2  
983 NHCHSH Methanimidothioic acid nhchsh  
984 CH2OOH CH2OOH radical ch2ooh  
985 CH3OO methylperoxy radical ch3oo  
986 CH3OO- methylperoxy anion ch3oo-  
987 CH3OO+ methylperoxy cation ch3oo+  
988 C2H4O Ethylene oxide c2h4o  
989 C2H4O+ ethylene oxide cation c2h4o+  
990 CH2CHOH ethenol ch2choh  
991 CH3CHO Acetaldehyde ch3cho  
992 CH3CHO+ acetaldehyde cation ch3cho+  
993 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
994 C2H4S Thiirane thiirane  
995 CH2CHSH Ethenethiol ch2chsh  
996 CH3CHS Thioacetaldehyde ch3chs  
997 H2CONH2+ protonated formamide h2conh2+  
998 NH2CHOH+ Formamide, O-protonated nh2choh+  
999 NH3CHO+ Formamide, N-Protonated nh3cho+  
1000 CH2(OH)2 methanediol ch2o2h2  
1001 CH3OOH Methyl peroxide ch3ooh  
1002 CH3SSH Hydrogen methyl disulfide ch3ssh  
1003 HSCH2SH Methanedithiol ch4s2  
1004 H2OH2CO water formaldehyde dimer h2oh2co  
1005 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1006 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1007 CH3CH2O Ethoxy radical ethoxy  
1008 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1009 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1010 CH3OCH2 methoxymethyl radical ch3och2  
1011 NH2CH2OH aminomethanol nh2ch2oh  
1012 CH3CH2OH Ethanol etoh  
1013 CH3OCH3 Dimethyl ether meome  
1014 CH3CH2SH ethanethiol etsh  
1015 CH3SCH3 Dimethyl sulfide mesme  
1016 CH3SCH3+ dimethyl sulfide cation mesme+  
1017 CH3SeCH3 dimethylselenide dmse  
1018 CH3OHH2O methanol water dimer ch3ohh2o  
1019 H2OCH3OH water methanol dimer h2och3oh  
1020 CuF2 Copper difluoride cuf2  
1021 ZnF2 Zinc difluoride znf2  
1022 CNF iso cyanogen fluoride cnf  
1023 FCN Cyanogen fluoride fcn  
1024 ClCN chlorocyanogen clcn  
1025 BrCN Cyanogen bromide brcn  
1026 ICN Cyanogen iodide icn  
1027 FBO Boron monofluoride monoxide fbo  
1028 BeF2 Beryllium fluoride bef2  
1029 MgF2 Magnesium fluoride mgf2  
1030 BeCl2 Beryllium chloride becl2  
1031 MgCl2 Magnesium dichloride mgcl2  
1032 CaCl2 Calcium Chloride cacl2  
1033 ZnCl2 Zinc dichloride zncl2  
1034 BeBr2 Beryllium bromide bebr2  
1035 CaBr2 Calcium dibromide cabr2  
1036 CaF2 Calcium difluoride caf2  
1037 FCO Carbonyl fluoride fco  
1038 FCO+ Carbonyl fluoride cation fco+  
1039 ClCO carbonyl monochloride clco  
1040 BF2 Boron difluoride radical bf2  
1041 FNO Nitrosyl fluoride fno  
1042 ClNO Nitrosyl chloride clno  
1043 FNS Thionitrosyl fluoride fns  
1044 FSN Thiazyl fluoride fsn  
1045 OPCl Phosphorus oxychloride opcl  
1046 BrNO Nitrosyl bromide brno  
1047 INO Nitrosyl iodide ino  
1048 CF2 Difluoromethylene cf2  
1049 CF2- Difluoromethylene anion cf2-  
1050 CF2+ Difluoromethylene cation cf2+  
1051 CFCl chlorofluoromethylene cfcl  
1052 SiF2 Silicon difluoride sif2  
1053 SiF2+ Silicon difluoride cation sif2+  
1054 CCl2 dichloromethylene ccl2  
1055 CCl2- dichloromethylene anion ccl2-  
1056 CCl2+ dichloromethylene cation ccl2+  
1057 SiCl2 Dichlorosilylene sicl2  
1058 GeF2 Germanium difluoride gef2  
1059 GeCl2 Germanium dichloride gecl2  
1060 CBr2 dibromomethylene cbr2  
1061 FOO Dioxygen monofluoride radical foo  
1062 FOO+ Fluorine dioxide cation foo+  
1063 ClOO chloroperoxy radical cloo  
1064 ClOO+ chloroperoxy cation cloo+  
1065 OClO Chlorine dioxide oclo  
1066 OClO- Chlorine dioxide anion oclo-  
1067 OClO+ Chlorine dioxide cation oclo+  
1068 ClSO Sulfur chloride oxide clso  
1069 ClS2 Sulfur chloride cls2  
1070 BrOO Bromine dioxide broo  
1071 OBrO Bromine dioxide radical obro  
1072 NF2 Difluoroamino radical nf2  
1073 NF2+ Difluoroamino cation nf2+  
1074 PF2 Phosphorus difluoride pf2  
1075 PF2+ Phosphorus difluoride cation pf2+  
1076 FClO chlorosyl fluoride fclo  
1077 F2O Difluorine monoxide f2o  
1078 ClOF Chlorine hypofluorite clof  
1079 SF2 sulfur difluoride sf2  
1080 SF2- sulfur difluoride anion sf2-  
1081 SF2+ sulfur difluoride cation sf2+  
1082 Cl2O Dichlorine monoxide cl2o  
1083 SCl2 Sulfur dichloride scl2  
1084 SeF2 Selenium difluoride sef2  
1085 BrOCl Bromine hypochlorite brocl  
1086 SeCl2 Selenium Dichloride secl2  
1087 SBr2 Sulfur dibromide sbr2  
1088 SeBr2 Selenium dibromide sebr2  
1089 BrOBr Bromine oxide brobr  
1090 F3- trifluoride anion f3-  
1091 Cl3- trichloride anion cl3-  
1092 Br3- tribromide anion br3-  
1093 I3- triiodide i3-  
1094 SFCl Sulfur chloride fluoride sfcl  
1095 HCCF Fluoroacetylene hccf  
1096 HCCF+ fluoroacetylene cation hccf+  
1097 HCCCl Chloroacetylene hcccl  
1098 HCCBr bromoacetylene hccbr  
1099 HFCO formyl fluoride hfco  
1100 HFCO+ formyl fluoride cation hfco+  
1101 COHCl Formyl chloride cohcl  
1102 COHBr Formyl bromide cohbr  
1103 BHF2 Difluoroborane bhf2  
1104 BHCl2 Borane, dichloro- bhcl2  
1105 CHCl2 dichloromethyl radical chcl2  
1106 CHF2 difluoromethyl radical chf2  
1107 CHF2+ difluoromethyl cation chf2+  
1108 CHFCl Chlorofluoromethyl radical chfcl  
1109 CHFCl+ Chlorofluoromethyl cation chfcl+  
1110 CHCl2+ dichloromethyl cation chcl2+  
1111 CHBr2 dibromomethyl radical chbr2  
1112 HOClO Chlorous acid hoclo  
1113 NHF2 difluoramine nhf2  
1114 NHCl2 dichloroamine nhcl2  
1115 CH2F2 Methane, difluoro- ch2f2  
1116 CH2FCl fluorochloromethane ch2fcl  
1117 SiH2F2 difluorosilane sih2f2  
1118 CH2Cl2 Methylene chloride ch2cl2  
1119 CH2BrF Methane, bromofluoro- ch2fbr  
1120 CH2BrCl Methane, bromochloro- ch2clbr  
1121 CH2FI fluoroiodomethane ch2fi  
1122 CH2Br2 dibromomethane ch2br2  
1123 CH2ClI chloroiodomethane ch2cli  
1124 CH2BrI bromoiodomethane ch2bri  
1125 CH2I2 Diiodomethane ch2i2  
1126 SiH2Cl2 dichlorosilane sih2cl2  
1127 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1128 CH2CHF Ethene, fluoro- ch2chf  
1129 CH2CHF+ fluoroethene cation ch2chf+  
1130 C2H3Cl Ethene, chloro- ch2chcl  
1131 C2H3Br vinyl bromide c2h3br  
1132 C2H3I Vinyl iodide c2h3i  
1133 CH2FOH fluoromethanol ch2foh  
1134 CH3OCl methyl hypochlorite ch3ocl  
1135 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1136 CHClCH3 1-chloroethyl radical chclch3  
1137 C2H5F fluoroethane c2h5f  
1138 CH3CH2Cl Ethyl chloride c2h5cl  
1139 CH3SiFH2 fluoromethylsilane ch3sifh2  
1140 C2H5Br Ethyl bromide etbr  
1141 C2H5I Ethyl iodide c2h5i  
1142 KrF2 Krypton difluoride krf2  
1143 XeF2 Xenon difluoride xef2  
1144 B4H10 Tetraborane(10) b4h10  
1145 C4 Carbon tetramer c4  
1146 C4+ Carbon tetramer cation c4+  
1147 C4H2 Diacetylene c4h2  
1148 C4H2+ diacetlyene cation c4h2+  
1149 C2H3CCH 1-Buten-3-yne c2h3cch  
1150 C4H4 cyclobutadiene cbd  
1151 C4H4 Tetrahedrane c4h4  
1152 H2CCCCH2 Butatriene h2cccch2  
1153 C4H6 1-Methylcyclopropene c3100047  
1154 C4H6 Cyclobutene c822355  
1155 C4H6 Methylenecyclopropane c6142730  
1156 CH2CCHCH3 1,2-Butadiene butad12  
1157 CH2CHCHCH2 1,3-Butadiene c106990  
1158 CH3CCCH3 2-Butyne c503173  
1159 CHCCH2CH3 1-Butyne c107006  
1160 CH3CHCHCH2 methylallyl radical c4h7  
1161 C4H8 methylcyclopropane mcp  
1162 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1163 CH2CHCH2CH3 1-Butene bute1  
1164 CH3CHCHCH3 2-Butene, (E)- bute2e  
1165 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1166 B(CH3)3 trimethylborane bme3  
1167 Al(CH3)3 trimethyl aluminum tma  
1168 C(CH3)3 Tert-butyl radical tbutyl  
1169 CH2CH(CH3)2 Isobutyl radical isobutyl  
1170 CH3CHCH2CH3 2-Butyl radical butyl2  
1171 CH3CH(CH3)CH3 Isobutane isobutane  
1172 CH3CH2CH2CH3 Butane butane  
1173 SiH(CH3)3 trimethylsilane trimsi  
1174 Li3N trilithium nitride li3n  
1175 C2N2 Cyanogen c2n2  
1176 C2N2+ Cyanogen cation c2n2+  
1177 P4 Phosphorus tetramer p4  
1178 As4 Arsenic tetramer as4  
1179 HCCCN Cyanoacetylene hcccn  
1180 HCCCN+ Cyanoacetylene cation hcccn+  
1181 H2CNCN cyanamide, methylene ch2ncn  
1182 HNCCNH Ethenediimine hnccnh  
1183 C3H3N acrylonitrile ch2chcn  
1184 C3H3N+ acrylonitrile cation ch2chcn+  
1185 CH3N3 methyl azide ch3n3  
1186 NH2CCNH2 Diaminoacetylene daa  
1187 NH2CH2CN Aminoacetonitrile aan  
1188 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1189 C2H5CN ethyl cyanide c2h5cn  
1190 CH5N3 Guanidine guanidine  
1191 C4H6 Bicyclo[1.1.0]butane c157335  
1192 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1193 H2NCHCHNH2 diaminoethylene dae  
1194 CH6N3+ guanidinium ch6n3+  
1195 C3H7N Cyclopropylamine cpram  
1196 CH7N3 triaminomethane tam  
1197 C3H7N Azetidine azet  
1198 C4H8 cyclobutane cbutane  
1199 C2H8N2 Ethylenediamine ethdiam  
1200 CH3NHNHCH3 dimethyl hydrazine dmh  
1201 CH3CH(NH2)CH3 2-Propanamine pram2  
1202 N(CH3)3 Trimethylamine trimeam  
1203 NH2CH2CH2CH3 1-Propanamine pram1  
1204 P(CH3)3 trimethylphosphine tmp  
1205 N(SiH3)3 trisilylamine tsa  
1206 As(CH3)3 trimethyl arsine tmas  
1207 (CH3)3NH+ protonated trimethyl amine ptma  
1208 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1209 Li2O2 dilithium dioxide li2o2  
1210 Na2O2 disodium dioxide na2o2  
1211 K2O2 dipotassium dioxide k2o2  
1212 C3O Tricarbon monoxide c3o  
1213 B2O2 Diboron dioxide b2o2  
1214 ONNO NO dimer onno  
1215 S2N2 Disulfur dinitride s2n2  
1216 CO3 Carbon trioxide co3  
1217 CO3-- carbonate co3--  
1218 CS3-- Carbonotrithioate cs3--  
1219 NO3 Nitrogen trioxide no3  
1220 NO3- nitrate anion no3-  
1221 NO3+ nitrogen trioxide cation no3+  
1222 SO3 Sulfur trioxide so3  
1223 SO3- Sulfur trioxide anion so3-  
1224 SO3-- Sulfate dianion so3--  
1225 SO3+ Sulfur trioxide cation so3+  
1226 SeO3 selenium trioxide seo3  
1227 S4 Sulfur tetramer s4  
1228 TeO3 Tellurium trioxide teo3  
1229 HCO3- bicarbonate anion hco3-  
1230 HNO3 Nitric acid hno3  
1231 HSO3 Hydroxysulfonyl radical hso3  
1232 NH2NO2 nitramide nh2no2  
1233 C2H2CO cyclopropenone c2h2co  
1234 C3H2O Propadienal c3h2o  
1235 HCCCHO 2-propynal hcccho  
1236 C2H2O2 Ethanedial c2h2o2  
1237 C2H2O2+ Ethanedial cation c2h2o2+  
1238 H2CO3 Carbonic acid h2co3  
1239 H2CS3 thiocarbonic acid h2cs3  
1240 H2NO3+ Nitric Acid, Protonated h2no3+  
1241 H2SO3 Sulfurous acid h2so3  
1242 C2H3NO Nitrosoethylene c2h3no  
1243 CH3NCO methylisocyante ch3nco  
1244 HOCH2CN cyanomethanol hoch2cn  
1245 CH3COO- acetate anion ch3coo-  
1246 CH3NO2 Methane, nitro- ch3no2  
1247 CH3ONO Methyl nitrite ch3ono  
1248 NH2COOH Carbamic acid nh2cooh  
1249 H3BO3 Boric acid h3bo3  
1250 H3AlO3 Aluminum hydroxide h3alo3  
1251 H3CO3+ carbonic acid, protonated h3co3+  
1252 C3H4O 2-Propyn-1-ol c107197  
1253 C3H4O allenol c9000071  
1254 C3H4O Cyclopropanone cpone  
1255 C3H4O Methylketene c6004440  
1256 CH2CHCHO Acrolein c3h4o  
1257 NH2CONH2 Urea urea  
1258 NH2CONH2+ Urea cation urea+  
1259 NH2CSNH2 Thiourea thiourea  
1260 C2H4O2 1,3-dioxetane c2h4o2  
1261 CH3COOH Acetic acid ch3cooh  
1262 CH3OCHO methyl formate ch3ocho  
1263 CHOCH2OH hydroxy acetaldehyde haa  
1264 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1265 NH3COOH+ protonated Carbamic acid nh3cooh+  
1266 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1267 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1268 HCOOHH2O Formic acid water dimer hcoohh2o  
1269 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1270 CH3COCH2 Acetonyl radical ch3coch2  
1271 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1272 CH3C(OH)=NH Ethaninidic acid eia  
1273 CH3CHNOH Acetaldoxime acetaldoxime  
1274 CH3CONH2 Acetamide acetamide  
1275 HCONHCH3 N-methylformamide nmfa  
1276 CH3CSNH2 Ethanethioamide ch3csnh2  
1277 CH5N2O+ urea, N-protonated ch4n2o+  
1278 H2NCOHNH2+ urea, protonated ureah+  
1279 C2H5OO ethylperoxy radical c2h5oo  
1280 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1281 C3H5OH Cyclopropanol cproh  
1282 C3H6O 2-Propen-1-ol c107186  
1283 C3H6O Acetone enol enol  
1284 C3H6O Oxetane oxetane  
1285 C3H6O Propylene oxide prox  
1286 CH3CH2CHO Propanal propanal  
1287 CH3COCH3 Acetone acetone  
1288 CH3COCH3- acetone anion ch3coch3-  
1289 C3H6S Thietane thietane  
1290 C3H6S Thiirane, methyl- methiirane  
1291 CH3CSCH3 Thioacetone ch3csch3  
1292 C2H6O2 1,2-Ethanediol ethdiol  
1293 CH3OOCH3 dimethylperoxide dmp  
1294 CH3SOCH3 Dimethyl sulfoxide dmso  
1295 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1296 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1297 CH3COHCH3+ acetone, protonated acetoneh+  
1298 HOCH2CH2NH2 monoethanolamine mea  
1299 C3H7OH 1-Propanol proh  
1300 CH3CHOHCH3 Isopropyl alcohol isoproh  
1301 CH3OC2H5 Ethane, methoxy- etome  
1302 C3H7SH 1-Propanethiol prsh  
1303 CH3CHSHCH3 2-Propanethiol isoprsh  
1304 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1305 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1306 Li2F2 Lithium fluoride dimer li2f2  
1307 Na2F2 Sodium Fluoride Dimer na2f2  
1308 Na2Cl2 Disodium dichloride na2cl2  
1309 C2F2 difluoroacetylene c2f2  
1310 C2Cl2 dichloroacetylene c2cl2  
1311 C2Cl2+ dichloroacetylene cation c2cl2+  
1312 FNO2 Nitryl fluoride fno2  
1313 FONO Nitrosyl hypofluorite fono  
1314 ClNO2 Nitryl chloride clno2  
1315 ClONO chlorine nitrite clono  
1316 BrONO Bromine nitrite brono  
1317 N2F2 (Z)-Difluorodiazene n2f2_z  
1318 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1319 CF2O Carbonic difluoride f2co  
1320 CF2O+ Carbonic difluoride cation f2co+  
1321 COFCl Carbonic chloride fluoride cofcl  
1322 CCl2O Phosgene cl2co  
1323 Cl2CS Thiophosgene cl2cs  
1324 COBr2 Carbonic dibromide cobr2  
1325 BF3- Borane, trifluoro- anion bf3-  
1326 BF3+ boron trifluoride cation bf3+  
1327 BClF2 Chlorodifluoroborane bclf2  
1328 AlF2Cl Aluminum chloride difluoride alclf2  
1329 ScF3 Scandium trifluoride ScF3  
1330 AlFCl2 Aluminum dichloride fluoride alcl2f  
1331 BCl3 Borane, trichloro- bcl3  
1332 BCl3+ Boron Trichloride cation bcl3+  
1333 GaF3 Gallium trifluoride gaf3  
1334 AlCl3 Aluminum trichloride alcl3  
1335 GaCl3 Gallium trichloride gacl3  
1336 BBr3 Boron tribromide bbr3  
1337 AlBr3 Aluminum Bromide albr3  
1338 ClO3 Chlorine trioxide clo3  
1339 ClO3- chlorate anion clo3-  
1340 BrO3- Bromate anion bro3-  
1341 CF3 Trifluoromethyl radical cf3  
1342 CF3- Trifluoromethyl anion cf3-  
1343 CF3+ Trifluoromethyl cation cf3+  
1344 CF2Cl difluorochloromethyl radical cf2cl  
1345 SiF3 Silicon trifluoride radical sif3  
1346 SiF3+ Silicon trifluoride cation sif3+  
1347 CFCl2 dichlorofluoromethyl radical cfcl2  
1348 CCl3 Trichloromethyl radical ccl3  
1349 CCl3- Trichloromethyl anion ccl3-  
1350 CCl3+ Trichloromethyl cation ccl3+  
1351 SiCl3 trichlorosilyl radical sicl3  
1352 SiCl3+ trichlorosilyl cation sicl3+  
1353 CBr3 tribromomethyl radical cbr3  
1354 FOOF Perfluoroperoxide foof  
1355 ClO2F Chloryl fluoride clo2f  
1356 F2SO Thionyl Fluoride f2so  
1357 ClOOCl Dichlorine dioxide cloocl  
1358 FSSF Difluorodisulfane fssf  
1359 S2F2 Thio-thionyl fluoride s2f2  
1360 SOCl2 thionyl chloride socl2  
1361 SSCl2 Thiothionyl chloride sscl2  
1362 SeOCl2 selenium oxychloride seocl2  
1363 NF3 Nitrogen trifluoride nf3  
1364 NF3- Nitrogen trifluoride anion nf3-  
1365 NF3+ Nitrogen trifluoride cation nf3+  
1366 PF3 Phosphorus trifluoride pf3  
1367 NCl3 nitrogen trichloride ncl3  
1368 AsF3 Arsenic trifluoride asf3  
1369 PCl3 Phosphorus trichloride pcl3  
1370 SbF3 Antimony Trifluoride sbf3  
1371 AsCl3 Arsenous trichloride ascl3  
1372 SbCl3 Antimony Trichloride sbcl3  
1373 NBr3 Nitrogen Tribromide nbr3  
1374 PBr3 Phosphorus tribromide pbr3  
1375 AsBr3 Arsenic tribromide asbr3  
1376 NI3 Nitrogen triiodide ni3  
1377 PI3 Phosphorus triiodide pi3  
1378 ClSSCl Disulfur dichloride s2cl2  
1379 SF3 Sulfur trifluoride sf3  
1380 ClF3 Chlorine trifluoride clf3  
1381 BrF3 Bromine trifluoride brf3  
1382 IF3 iodone trifluoride if3  
1383 HClO3 Chloric Acid hclo3  
1384 CHF3 Methane, trifluoro- chf3  
1385 CHF2Cl difluorochloromethane chf2cl  
1386 SiHF3 trifluorosilane sihf3  
1387 CHFCl2 fluorodichloromethane chfcl2  
1388 CDCl3 trichloromethane-d cdcl3  
1389 CHCl3 Chloroform chcl3  
1390 CHBrF2 Methane, bromodifluoro- chbrf2  
1391 SiHCl3 Trichlorosilane sihcl3  
1392 CHFClBr fluorochlorobromomethane chfclbr  
1393 CHBrCl2 Methane, bromodichloro- chbrcl2  
1394 CHF2I difluoroiodomethane chf2i  
1395 CHBr2F dibromofluoromethane chbr2f  
1396 CHFClI fluorochloroiodomethane chfcli  
1397 CHCl2I dichloroiodomethane chcl2i  
1398 CHClBr2 Methane, dibromochloro- chclbr2  
1399 CHBr3 bromoform chbr3  
1400 CHI3 Iodoform chi3  
1401 NF3H+ protonated nitrogen trifluoride nf3h+  
1402 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1403 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1404 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1405 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1406 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1407 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1408 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1409 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1410 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1411 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1412 C2H2Br2 1,1-dibromoethene c2h2br2  
1413 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1414 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1415 CH2FCHO Fluoroacetaldehyde ch2fcho  
1416 CH3COF Acetyl fluoride ch3cof  
1417 CH2ClCHO chloroacetaldehyde ch2clcho  
1418 CH3COCl Acetyl Chloride ch3cocl  
1419 C2H4F2 1,2-difluoroethane c2h4f2  
1420 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1421 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1422 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1423 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1424 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1425 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1426 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1427 CH2CFCH3 2-fluoropropene 2fpro  
1428 CH2CHCH2F Allyl Fluoride allylf  
1429 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1430 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1431 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1432 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1433 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1434 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1435 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1436 CH2FCH2CH3 1-Fluoropropane prf1  
1437 CH3CHFCH3 2-Fluoropropane prf2  
1438 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1439 CH3CHClCH3 Propane, 2-chloro- prcl2  
1440 CH3CH2CH2Br n-propyl bromide prbr  
1441 CH3CHBrCH3 i-propyl bromide iprbr  
1442 C3H9O+ trimethyl oxonium cation c3h9o+  
1443 B5H9 pentaborane9 b5h9  
1444 C5H4 pentatetraene ptrene  
1445 C5H5 cyclopentadienyl radical c5h5  
1446 C5H5- cylopentadienyl anion c5h5-  
1447 C5H6 1,3-Cyclopentadiene c542927  
1448 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1449 C5H6 3-Penten-1-yne, (E)- c2004695  
1450 C5H6 3-Penten-1-yne, (Z)- c1574409  
1451 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1452 C5H6 Cyclopropylacetylene c6746947  
1453 C5H6 Propellane propellane  
1454 C5H7 1,3-pentadienyl radical pdyl  
1455 C5H7 cyclopentenyl radical cpyl  
1456 C5H8 1,2-Butadiene, 3-methyl- c598254  
1457 C5H8 1,2-Pentadiene c591957  
1458 C5H8 1,3-Butadiene, 2-methyl- c78795  
1459 C5H8 1,3-Pentadiene, (E)- c2004708  
1460 C5H8 1,3-Pentadiene, (Z)- c1574410  
1461 C5H8 1,4-Pentadiene c591935  
1462 C5H8 1-pentyne a1pentyne  
1463 C5H8 2,3-Pentadiene c591968  
1464 C5H8 Bicyclo[1.1.1]pentane bcp  
1465 C5H8 Cyclobutane, methylene- c1120565  
1466 C5H8 Cyclopentene c142290  
1467 C5H8 Ethenylcyclopropane c693867  
1468 CH3CCCH2CH3 2-Pentyne 2pentyne  
1469 C5H10 1-Butene, 2-methyl- c563462  
1470 C5H10 2-Butene, 2-methyl- c513359  
1471 C5H10 2-Pentene, (E)- c646048  
1472 C5H10 2-Pentene, (Z)- c627203  
1473 C5H10 Cyclopentane c287923  
1474 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1475 CH2CHCH2CH2CH3 1-pentene pentene  
1476 C5H11 2-Methylbut-2-yl radical c4348350  
1477 C5H12 Butane, 2-methyl- buta2  
1478 C5H12 Pentane pentane  
1479 C5H12 Propane, 2,2-dimethyl- neopentane  
1480 Si(CH3)4 tetramethylsilane tms  
1481 N2O3 Dinitrogen trioxide n2o3  
1482 C3H2N2 Malononitrile c3h2n2  
1483 CH2N4 1H-Tetrazole 1htz  
1484 C3H3N2 imidazolyl radical im  
1485 C3H3N2- imidizolyl anion im-  
1486 C2H3N3 1H-1,2,4-Triazole c288880  
1487 C4H4N pyrrolide radical c4h4n  
1488 C4H4N- pyrrolide anion c4h4n-  
1489 C3H4N2 1H-Imidazole 1himidaz  
1490 C3H4N2 1H-Pyrazole 1hpyraz  
1491 C3H4N2 2H-Imidazole imid2h  
1492 C3H4N2 4H-Imidazole imid4h  
1493 C4H5N (E)-2-Butenenitrile c627269  
1494 C4H5N (Z)-2-Butenenitrile c1190767  
1495 C4H5N 2H-pyrrole pyrrole2  
1496 C4H5N 3H-pyrrole pyrrole3  
1497 C4H5N Cyclopropanecarbonitrile c5500210  
1498 C4H5N Pyrrole pyrrole  
1499 CH2CHCH2CN Allylcyanide ch2chch2cn  
1500 C4H6N+ pyrrole, alpha-protonated appyr  
1501 C4H6N+ pyrrole, beta-protonated bppyr  
1502 C4H6N+ pyrrole, protonated ppyr  
1503 C3H6N2 3-Aminopropionitrile c151188  
1504 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1505 CH3CH2CH2CN Butanenitrile c109740  
1506 C5H8 Bicyclo[2.1.0]pentane c185944  
1507 C5H8 Spiropentane c157404  
1508 C4H9N Cyclobutylamine cbam  
1509 C4H9N Pyrrolidine pyrrolidine  
1510 C3H10N2 1,2-Diaminopropane diampr12  
1511 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1512 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1513 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1514 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1515 NH(C2H5)2 diethylamine dea  
1516 NC4H12+ tetramethyl ammonium cation nc4h12+  
1517 C3O2 Carbon suboxide c3o2  
1518 C3O2+ Carbon suboxide cation c3o2+  
1519 B2O3 diboron trioxide b2o3  
1520 MgCO3 Magnesium Carbonate mgco3  
1521 BeCO3 Beryllium Carbonate beco3  
1522 CaCO3 Calcium Carbonate caco3  
1523 ONONO Nitrosyl nitrite onono  
1524 PO4--- phosphate po4---  
1525 SO4-- sulfate so4--  
1526 HOONO2 peroxy nitric acid hoono2  
1527 HSO4- bisulfate anion hso4-  
1528 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1529 C3H2O2 Propiolic acid c3h2o2  
1530 CHOCOOH oxo acetic acid oaa  
1531 CHOOCHO diformyl ether choocho  
1532 H2SO4 Sulfuric acid h2so4  
1533 H2SeO4 Selenic acid h2seo4  
1534 C3H3NO Isoxazole isox  
1535 C3H3NO Oxazole oxazole  
1536 C3H3NS Thiazole thiazole  
1537 CH3C(O)OO acetyl peroxy radical ch3coo2  
1538 CH3NO3 Methyl nitrate ch3no3  
1539 H3PO4 Phosphoric Acid h3po4  
1540 C4H4O Furan furan  
1541 C4H4O+ Furan cation furan+  
1542 CH3COCCH 3-butyn-2-one c1423605  
1543 C4H4S Thiophene furans  
1544 C4H4Se selenophene c4h4se  
1545 C3H4O2 β–Propiolactone beta  
1546 C3H4O2 2-Propenoic acid propenoic2  
1547 C3H4O2 Methyl glyoxal megly  
1548 C3H4O2 propanedial propanedial  
1549 C3H4O2 propenalol propenalol  
1550 HOCHCCHOH allenediol aldiol  
1551 C2H4O3 1,2,3-trioxolane c2h4o3  
1552 C2H4O3 trioxolane124 triox  
1553 HOCH2COOH Hydroxyacetic acid hac  
1554 CH2CHCONH2 Acrylamide c79061  
1555 CH3OCH2CN Methoxyacetonitrile c1738369  
1556 CH5N3S Hydrazinecarbothioamide c79196  
1557 H2NCH2COOH Glycine glycine  
1558 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1559 C4H6O cis-2-butenal butenal2c  
1560 C4H6O Cyclobutanone cbutone  
1561 C4H6O Furan, 2,3-dihydro- furan23h  
1562 C4H6O Furan, 2,5-dihydro- furan25h  
1563 CH2CHOCHCH2 Vinyl ether vinylether  
1564 CHOCHCHCH3 2-Butenal butenal2  
1565 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1566 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1567 CH2CHSCHCH2 Divinyl sulfide divis  
1568 C2H6N2O Urea, methyl- c598505  
1569 C3H6O2 1,3-Dioxolane dioxolane  
1570 CH3CH2COOH Propanoic Acid propanoic  
1571 CH3COOCH3 methyl acetate aame  
1572 HCOOC2H5 Ethyl formate faee  
1573 C2H6O2S Dimethyl sulfone c67710  
1574 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1575 C3H7NO dimethylformamide dmf  
1576 C3H7NO Propanamide propanam  
1577 C2H3OC2H5 Ethene, ethoxy- c109922  
1578 C4H8O Cyclobutanol c2919235  
1579 C4H8O Furan, tetrahydro- thf  
1580 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1581 CH3COCH2CH3 2-Butanone buta2one  
1582 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1583 CHOCH2CH2CH3 Butanal butanal  
1584 C4H8S Thiophene, tetrahydro- tht  
1585 C3H8O2 1,3-Propanediol c504632  
1586 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1587 C3H8O2 Methane, dimethoxy- c109875  
1588 C3H8O2 Propylene glycol c57556  
1589 C3H8S2 1,3-Propanedithiol c109808  
1590 C4H10O 1-Butanol butanol1  
1591 C4H10O 1-Propanol, 2-methyl- c78831  
1592 C4H10O 2-Butanol, (.+/-.)- butanol2  
1593 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1594 C4H10O Ethoxy ethane etoet  
1595 C4H10O Methyl propyl ether meopr  
1596 C4H10O Propane, 2-methoxy- c598538  
1597 C4H10O+ 1-Butanol cation butanol1+  
1598 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1599 C2H5SC2H5 Diethyl sulfide etset  
1600 C4H9SH 1-Butanethiol bush  
1601 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1602 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1603 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1604 FNO3 Fluorine nitrate fno3  
1605 ClONO2 Chlorine nitrate clono2  
1606 BrONO2 Bromine nitrate brono2  
1607 TiCl4 Titanium tetrachloride ticl4  
1608 ClO4- perchlorate anion clo4-  
1609 BF4- tetrafluoroboron anion bf4-  
1610 ClFO3 Perchloryl fluoride clfo3  
1611 SO2F2 Sulfuryl fluoride so2f2  
1612 SO2Cl2 Sulfuryl chloride so2cl2  
1613 F3NO Nitrogen trifluoride oxide f3no  
1614 F3PO Phosphoryl fluoride pf3o  
1615 Cl3PO Phosphoryl chloride pcl3o  
1616 CF4 Carbon tetrafluoride cf4  
1617 CF3Cl Methane, chlorotrifluoro- cf3cl  
1618 SiF4 Silicon tetrafluoride sif4  
1619 CF2Cl2 difluorodichloromethane cf2cl2  
1620 TiF4 Titanium tetrafluoride tif4  
1621 CFCl3 Trichloromonofluoromethane cfcl3  
1622 CF3Br Bromotrifluoromethane cf3br  
1623 GeF4 Germanium tetrafluoride gef4  
1624 CCl4 Carbon tetrachloride ccl4  
1625 CCl4+ Carbon tetrachloride cation ccl4+  
1626 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1627 SiCl4 Silane, tetrachloro- sicl4  
1628 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1629 CF3I trifluoroiodomethane cf3i  
1630 CBrCl3 Methane, bromotrichloro- cbrcl3  
1631 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1632 GeCl4 Germanium Tetrachloride gecl4  
1633 CBr2ClF dibromochlorofluoromethane cbr2clf  
1634 CBr2Cl2 dibromodichloromethane cbr2cl2  
1635 CCl3I trichloroiodomethane ccl3i  
1636 CFBr3 fluorotribromomethane cfbr3  
1637 CFClBrI fluorochlorobromoiodomethane cfclbri  
1638 CBr3Cl tribromochloromethane cbr3cl  
1639 CF2I2 difluorodiiodomethane cf2i2  
1640 CBr4 Carbon tetrabromide cbr4  
1641 CCl2I2 dichlorodiiodomethane ccl2i2  
1642 SiBr4 Silicon tetrabromide sibr4  
1643 CBr3I tribromoiododmethane cbr3i  
1644 GeBr4 Germanium tetrabromide gebr4  
1645 CI4 tetraiodomethane ci4  
1646 SiI4 silicon tetraiodide sii4  
1647 ClOF3 Chlorine trifluoride oxide clof3  
1648 SF4 Sulfur tetrafluoride sf4  
1649 SeF4 Selenium tetrafluoride sef4  
1650 SCl4 Sulfur tetrachloride scl4  
1651 C2HF3 Trifluoroethylene c2hf3  
1652 C2HF3+ Trifluoroethylene cation c2hf3+  
1653 CHClCCl2 Trichloroethylene chclccl2  
1654 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1655 HClO4 perchloric acid hclo4  
1656 HSO3F Fluorosulfonic acid hso3f  
1657 CF3OH trifluoromethanol cf3oh  
1658 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1659 CHClCCHCl 1,3-dichloroallene chclcchcl  
1660 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1661 CHCl2CHO dichloroacetaldehyde chcl2cho  
1662 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1663 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1664 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1665 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1666 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1667 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1668 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1669 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1670 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1671 NH3BCl3 Amminetrichloroboron nh3bcl3  
1672 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1673 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1674 C3H5ClO Oxirane, (chloromethyl)- c106898  
1675 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1676 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1677 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1678 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1679 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1680 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1681 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1682 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1683 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1684 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1685 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1686 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1687 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1688 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1689 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1690 C4H9F 1-fluorobutane butaf1  
1691 CH3CHFCH2CH3 2-fluorobutane butaf2  
1692 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1693 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1694 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1695 XeF4 Xenon tetrafluoride xef4  
1696 C2H2N2O Furazan furazan  
1697 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1698 NH3BF3 Amminetrifluoroboron nh3bf3  
1699 C6H2 hexatriyne c6h2  
1700 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1701 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1702 C6H4 Benzyne benzyne  
1703 C6H5 phenyl phenyl  
1704 C6H5- phenyl anion phenyl-  
1705 C6H6 Prismane prismane  
1706 C6H6 1,2,4,5-Hexatetraene ht1245  
1707 C6H6 2,4-Hexadiyne hexadiyne  
1708 C6H6 3,4-Dimethylenecyclobutene cb34m  
1709 C6H6 Benzene benzene  
1710 C6H6 Benzvalene bv  
1711 C6H6 Dewar Benzene dewar  
1712 C6H6 Hexa-1,5-diene-3-yne hdy153  
1713 C6H6 Trimethylenecycopropane tmcp  
1714 C6H6+ Benzene cation c6h6+  
1715 C6H7+ benzene, protonated c6h7+  
1716 C6H8 (E)-hexa-1,3,5-triene c821078  
1717 C6H8 (E)-hexa-2,3,4-triene c59660650  
1718 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1719 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1720 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1721 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1722 C6H8 3-Methylenecyclopentene c930267  
1723 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1724 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1725 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1726 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1727 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1728 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1729 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1730 C6H10 1,5-Hexadiene c592427  
1731 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1732 C6H10 1-Hexyne hexyne1  
1733 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1734 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1735 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1736 C6H10 2-Hexyne c764352  
1737 C6H10 3-Hexyne hexyne3  
1738 C6H10 cyclohexene cyclohexene  
1739 C6H10 Cyclopentene, 1-methyl- c693890  
1740 C6H10 Cyclopentene, 3-methyl- c1120623  
1741 C6H10 Cyclopentene, 4-methyl- c1759815  
1742 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1743 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1744 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1745 C6H12 (E)-2-Hexene e2hexene  
1746 C6H12 (E)-3-methylpent-2-ene c616126  
1747 C6H12 (E)-hex-3-ene e3hexene  
1748 C6H12 (Z)-3-methylpent-2-ene c922623  
1749 C6H12 (Z)-hex-2-ene z2hexene  
1750 C6H12 (Z)-hex-3-ene z3hexene  
1751 C6H12 2,3-dimethylbut-1-ene c563780  
1752 C6H12 2,3-dimethyl-but-2-ene tmeet  
1753 C6H12 3-methylenepentane c760214  
1754 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1755 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1756 C6H12 Cyclohexane cyclohexane  
1757 C6H12 Cyclopentane, methyl- c96377  
1758 C6H12 Ethylcyclobutane c4806615  
1759 C6H12 hex-1-ene hexene1  
1760 C6H14 Butane, 2,2-dimethyl- buta22  
1761 C6H14 Butane, 2,3-dimethyl- buta23  
1762 C6H14 Hexane hexane  
1763 C6H14 Pentane, 2-methyl- penta2  
1764 C6H14 Pentane, 3-methyl- penta3  
1765 C4N2 2-Butynedinitrile c4n2  
1766 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1767 C4H2N2 Fumaronitrile c4h2n2  
1768 C2H2N4 sym-tetrazine ttz  
1769 C3H3N3 1,3,5-Triazine triazine135  
1770 CH3N5 5-Aminotetrazole c4418615  
1771 C4H4N2 1,3-Diazine diazine13  
1772 C4H4N2 Pyrazine pyrazine  
1773 C4H4N2 Pyridazine pyridazine  
1774 C4H4N2 Succinonitrile c110612  
1775 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1776 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1777 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1778 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1779 C5H5N E-2,4-pentadienenitrile bdcn  
1780 C5H5N Pyridine pyridine  
1781 B3N3H6 borazine borazine  
1782 C6H6 Fulvene fulvene  
1783 C5H6N+ Pyridinium c5h6n  
1784 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1785 C5H7N (E)-2-Pentenenitrile c26294984  
1786 C5H7N (E)-3-Pentenenitrile c16529661  
1787 C5H7N (Z)-2-Pentenenitrile c25899507  
1788 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1789 C5H7N Cyclobutanecarbonitrile c4426113  
1790 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1791 C5H9N Butanenitrile, 2-methyl- c18936179  
1792 C5H9N Pentanenitrile c110598  
1793 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1794 C6H10 Bicyclo[3.1.0]hexane c285585  
1795 C5H11N Cyclopentanamine cypentam  
1796 C5H11N Piperidine piper  
1797 C4H12N2 1,2-Butanediamine c4426486  
1798 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1799 Li2CO3 Lithium Carbonate li2co3  
1800 Na2CO3 Sodium Carbonate na2co3  
1801 C2O4-- oxalate anion c2o4  
1802 MgSO4 Magnesium Sulfate mgso4  
1803 N2O4 Dinitrogen tetroxide n2o4  
1804 C3H2O3 vinylene carbonate vica  
1805 C2H2O4 Oxalic Acid oxalic  
1806 C2H3NO3 Oxamic acid oxamic  
1807 C4H4O2 2(5H)-Furanone furanone  
1808 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1809 C2H4N2O2 Oxalamide oxalamide  
1810 C2H4N2S2 Ethanedithioamide c79403  
1811 C2H4CO3 Ethylene carbonate etco3  
1812 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1813 C3H4S3 1,3-Dithiolane-2-thione c822388  
1814 C2H4O4 Formic acid dimer fadimer  
1815 C4H5NO 3-Methylisoxazole isox3m  
1816 C4H5NO Isoxazole, 5-methyl- c5765446  
1817 C4H5NS 4-Methylthiazole c693958  
1818 C2H5NO3 Nitric acid, ethyl ester c625581  
1819 C5H6O 2H-Pyran pyran2  
1820 C5H6O 2-methylfuran furan2m  
1821 C5H6O 3-Methylfuran furan3m  
1822 C5H6O Pentadienal pdal  
1823 C5H6S Thiophene, 2-methyl- c554143  
1824 C5H6S Thiophene, 3-methyl- c616444  
1825 C4H6O2 γ–Butyrolactone c96480  
1826 C4H6O2 2,3-Butanedione c431038  
1827 C4H6O2 2-Propenoic acid, methyl ester c96333  
1828 C4H6O2 Crotonic Acid crot  
1829 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1830 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1831 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1832 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1833 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1834 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1835 C4H6OS Vinyl sulfoxide c1115157  
1836 CH6N4S Carbonothioic dihydrazide thiacarb  
1837 C2H6N2O2 (E)-Azodioxymethane c37765154  
1838 C2H6N2O2 Dimethylnitroamine c4164287  
1839 C3H6O3 1,3,5-Trioxane trioxane  
1840 C3H6S3 1,3,5-Trithiane c3h6s3  
1841 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1842 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1843 C4H7NO 2-Pyrrolidinone c616455  
1844 C4H7NO Ethoxyacetonitrile etoaccn  
1845 C4H7NO Methacrylamide c79390  
1846 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1847 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1848 C3H7ONO Propyl nitrite prono  
1849 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1850 CH3CH(NH2)COOH Alanine alanine  
1851 CH3NHCH2COOH Sarcosine sarcosine  
1852 NH2CH2CH2COOH β–alanine betaalanine  
1853 NH2COOC2H5 Urethane urethane  
1854 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1855 C5H8O Cyclopentanone c120923  
1856 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1857 C5H8O Methyl cyclopropyl ketone c765435  
1858 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1859 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1860 NH2CONHC2H5 Urea, ethyl- c625525  
1861 C4H8O2 1,3-Dioxane dioxan13  
1862 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1863 C4H8O2 1,4-Dioxane dioxan14  
1864 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1865 C4H8O2 Ethyl acetate c141786  
1866 C4H8OS s-Ethyl thioacetate c625605  
1867 C3H8O3 1,2,3-Propanetriol glycerin  
1868 C3H8O2S (Methylsulfonyl)ethane c594434  
1869 C4H9NO Butanamide c541355  
1870 C4H9NO Propanamide, 2-methyl- c563837  
1871 C5H10O 2-Butanone, 3-methyl- c563804  
1872 C5H10O 2H-Pyran, tetrahydro- c142687  
1873 C5H10O 2-methylbutyraldehyde 2meba  
1874 C5H10O 2-Pentanone mpk  
1875 C5H10O 3-Pentanone dek  
1876 C5H10O Cyclopentanol c96413  
1877 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1878 C5H10O Pentanal pal  
1879 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1880 C5H10S 3-Ethylthio-1-propene c5296628  
1881 C5H10S Cyclopentanethiol c1679078  
1882 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1883 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1884 C4H10O2 1,1-Dimethoxyethane c534156  
1885 C4H10O2 1,3-Butanediol budiol13  
1886 C4H10O2 1,4-Butanediol budiol14  
1887 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1888 C4H10OS Diethyl sulfoxide c70291  
1889 C4H10S2 1,4-Butanedithiol budisl14  
1890 C4H11NO Diethylhydroxylamine c3710847  
1891 C5H12O 1-Butanol, 2-methyl- c137326  
1892 C5H12O 1-Butanol, 3-methyl- c123513  
1893 C5H12O 1-Pentanol pentanol1  
1894 C5H12O 2-Butanol, 3-methyl- c598754  
1895 C5H12O 2-Pentanol peol2  
1896 C5H12O 3-Pentanol pentan3ol  
1897 C5H12O Butane, 1-methoxy- meobu  
1898 C5H12O Propane, 1-ethoxy- proet  
1899 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1900 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1901 C5H12S 1-Butanethiol, 3-methyl- c541311  
1902 C5H12S 1-Pentanethiol c110667  
1903 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1904 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1905 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1906 C5H12S Butane, 1-(methylthio)- c628295  
1907 C5H12S Ethyl propyl sulfide c4110503  
1908 C5H12S Propane, 2-(ethylthio)- c5145993  
1909 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1910 C4F2 difluorobutadiyne c4f2  
1911 ClCOClCO Oxalyl chloride oxcl  
1912 CF3CN Acetonitrile, trifluoro- cf3cn  
1913 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1914 B2F4 Diboron tetrafluoride b2f4  
1915 B2Cl4 Diboron tetrachloride b2cl4  
1916 C2F4 Tetrafluoroethylene c2f4  
1917 C2F4+ Tetrafluoroethylene cation c2f4+  
1918 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1919 CF2CCl2 difluorodichloroethylene cf2ccl2  
1920 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1921 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1922 C2FCl3 fluorotrichloroethene c2fcl3  
1923 C2Cl4 Tetrachloroethylene c2cl4  
1924 C2Br4 tetrabromoethene c2br4  
1925 CF3OF Trifluoromethylhypofluorite cf3of  
1926 SiF5- silicon pentafluoride anion sif5-  
1927 SOF4 Sulfur tetrafluoride oxide sof4  
1928 PF5 Phosphorus pentafluoride pf5  
1929 AsF5 Arsenic pentafluoride asf5  
1930 PCl5 Phosphorus pentachloride pcl5  
1931 SF5 Sulfur pentafluoride sf5  
1932 SF5+ pentafluoro sulfur cation sf5+  
1933 SbCl5 Antimony pentachloride sbcl5  
1934 BrF5 bromine pentafluoride brf5  
1935 ClF5 chlorinepentafluoride clf5  
1936 IF5 pentafluoroiodine if5  
1937 CF3CHO trifluoroacetaldehyde cf3cho  
1938 CCl3CHO trichloroacetaldehyde ccl3cho  
1939 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1940 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1941 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1942 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1943 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1944 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1945 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1946 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1947 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1948 CF3COOH trifluoroacetic acid cf3cooh  
1949 C4H3ClO Furan, 2-chloro fur2cl  
1950 C4H3ClO Furan,3-chloro fur3cl  
1951 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1952 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1953 C4H8Cl2 1,4-Dichlorobutane c110565  
1954 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1955 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1956 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1957 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1958 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1959 C5H11Cl Pentane, 1-chloro- pencl1  
1960 C4H8O2 Butanoic acid bua  
1961 C6H5CH2 benzyl radical benzyl  
1962 C7H7 cycloheptatrienyl radical c7h7  
1963 C7H7+ cycloheptatrienyl cation c7h7+  
1964 C6H5CH3 toluene toluene  
1965 C7H8 cycloheptatriene cht  
1966 C7H8 Norbornadiene norbor  
1967 C7H8 Quadricyclane qucy  
1968 C7H12 Norbornane nor  
1969 C7H14 cycloheptane c7h14  
1970 C7H16 2-methylhexane 2mhex  
1971 C7H16 3-methylhexane hex3m  
1972 C7H16 heptane heptane  
1973 CH(CN)3 tricyanomethane mecn3  
1974 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1975 C6H7N 2-Methylpyridine mp  
1976 C6H5NH2 aniline aniline  
1977 C6H13N 2-Methylpiperidine pip2m  
1978 C6H13N cyclohexanamine cham  
1979 C6H15N triethylamine tea  
1980 N2O5 Dinitrogen pentoxide n2o5  
1981 C4H2O3 Maleic Anhydride malan  
1982 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1983 C5H4O2 furfural furfural  
1984 C6H5O phenoxy radical phenoxy  
1985 C5H5NO 2(1H)-Pyridinone c72762006  
1986 C5H5NO 2(3H)-Pyridinone c9000048  
1987 C5H5NO 2(5H)-Pyridinone c9000037  
1988 C5H5NO 2-Pyridinol c109104  
1989 C5H5NO 3(2H)-Pyridinone c9000004  
1990 C5H5NO 3(4H)-Pyridinone c9000026  
1991 C5H5NO 3(6H)-Pyridinone c9000015  
1992 C5H5NO 3-Pyridinol c109002  
1993 C5H5NO 4(1H)-Pryidinone c9000060  
1994 C5H5NO 4(3H)-Pryidinone c9000059  
1995 C5H5NO 4-Pyridinol c626642  
1996 C6H5OH phenol phenol  
1997 C6H6O 2,4-Cyclohexadienone c24599573  
1998 C6H6O 2,5-Cyclohexadienone c5664335  
1999 C6H5SH Benzenethiol phsh  
2000 HO2CCHNH2CH2OH Serine serine  
2001 C5H8O2 Acetylacetone acac  
2002 C4H8O2S Sulfolane sulfolane  
2003 C7H10 Norbornene norbornene  
2004 CH(C2H3)3 trivinyl methane tvm  
2005 C6H10O cyclohexanone chexo  
2006 C6H12O hexanal c6h12o  
2007 C6H12O Oxepane oxepane  
2008 C3H7OC3H7 di-n-propyl ether propr  
2009 F2CCCF2 tetrafluoroallene pfa  
2010 CF3COO- trifluoro acetate anion cf3coo-  
2011 CF3COF trifluoroacetyl fluoride cf3cof  
2012 CF3COCl trifluoroacetyl chloride cf3cocl  
2013 PF6 Hexafluorophosphate neutral pf6  
2014 PF6- Hexafluorophosphate ion pf6-  
2015 SF6 Sulfur Hexafluoride sf6  
2016 SeF6 Selenium hexafluoride sef6  
2017 SF5Cl sulfur chloropentafluoride sf5cl  
2018 CF3CHF2 pentafluoroethane cf3chf2  
2019 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2020 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2021 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2022 CCl3CHCl2 pentachloroethane ccl3chcl2  
2023 C6H5F Fluorobenzene bzf  
2024 C6H5Cl chlorobenzene bzcl  
2025 C6H5Br bromobenzene bzbr  
2026 C8H6 Calicene calicene  
2027 C6H5CCH phenylacetylene phac  
2028 C8H6 benzocyclobutadiene bcbd  
2029 C8H6 Pentalene pentalene  
2030 C6H5CHCH2 Styrene styrene  
2031 C8H8 cubane cubane  
2032 C8H8 cyclooctatetraene cot  
2033 C6H5CH2CH3 Ethylbenzene etbz  
2034 CH3C6H4CH3 meta-xylene mxylene  
2035 CH3C6H4CH3 paraxylene pxylene  
2036 C8H14 Bicyclo[2.2.2]octane bico222  
2037 C8H16 cyclooctane cyclooct  
2038 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2039 C8H18 Octane c8h18  
2040 C6H5CN phenyl cyanide phcn  
2041 C6H12N2 Triethylenediamine ted  
2042 C4O4-- squarate dianion c4o4--  
2043 S4N4 Tetrasulfur tetranitride s4n4  
2044 S8 Octasulfur s8  
2045 C6H4O2 parabenzoquinone pbq  
2046 C4H4N2O2 Uracil uracil  
2047 C6H5CHO benzaldehyde benzal  
2048 C6H5OCH3 Anisole anisole  
2049 C5H9NO2 Proline proline  
2050 C6H12O2 Methyl pivalate c598981  
2051 C6H12O2 Hexanoic acid hexa  
2052 C4F4 tetrafluorcyclobutadiene c4f4  
2053 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2054 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2055 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2056 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2057 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2058 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2059 C2F6 hexafluoroethane c2f6  
2060 C2Cl6 hexachloroethane c2cl6  
2061 IF7 Iodine heptafluoride if7  
2062 C6H4F2 metadifluorobenzene mdfb  
2063 C6H4F2 orthodifluorobenzene odfb  
2064 C6H4F2 1,4-difluorobenzene pdfb  
2065 C6H4Cl2 1,2-dichlorobenzene dcb12  
2066 C6H4Cl2 1,3-dichlorobenzene dcb13  
2067 C6H4Cl2 1,4-dichlorobenzene dcb14  
2068 C6H5NO nitrosobenzene bzno  
2069 C9H8 Indene indene  
2070 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2071 C9H12 n-propyl benzene prbz  
2072 C9H20 Nonane nonane  
2073 C(CN)4 tetracyanomethane c5n4  
2074 C5H4N4 purine purine  
2075 C8H7N Indole indole  
2076 C3H3N3O3 cyanuric acid cyanuric  
2077 C6H5NO2 Nitrobenzene c6h5no2  
2078 C6H5COOH benzoic acid benzo  
2079 CH3COC6H5 acetophenone acph  
2080 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2081 C3F6 hexafluoropropene c3f6  
2082 C6H3F3 Benzene trifluoride 123 bzf3a  
2083 C8H18O 1-Octanol octanol  
2084 C10H8 Azulene azu  
2085 C10H8 naphthalene naph  
2086 C10H10 bullvalene bullv  
2087 C10H16 adamantane adamantane  
2088 C6N4 Tetracyanoethylene tcne  
2089 C6N4- tetracyanoethylene anion tcne-  
2090 C10H22 Decane decane  
2091 C4F6 perfluorobutadiene c4f6  
2092 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2093 C3F8 perfluoropropane c3f8  
2094 Fe(CO)5 Iron pentacarbonyl ipc  
2095 Fe(C5H5)2 ferrocene fecp2  
2096 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2097 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2098 C12H8 Acenaphthylene acenaph  
2099 C12H8 biphenylene biph  
2100 C12H10 biphenyl biphenyl  
2101 C12H10 Heptalene heptalene  
2102 C6H12O6 Inositol inositol  
2103 C6F6 hexafluorobenzene c6f6  
2104 S2F10 disulphur decafluoride s2f10  
2105 C13H10 Fluorene fluorene  
2106 C14H10 Anthracene anth  
2107 C14H10 Phenanthrene phenanthrene  
2108 C14H14 Bibenzyl bibenzyl  
2109 C12H10N2 azobenzene azobenzene  
2110 C6H5COC6H5 benzophenone benzophenone  
2111 C16H10 Pyrene pyrene  
2112 C18H12 Tetracene tetracene  
2113 C19H16 Triphenylmethane tpm  
2114 C24H12 Coronene coronene  
2115 C60 Buckminsterfullerene c60