return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at MP4 /6-31G

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 H2 Hydrogen diatomic 1ΣgD∞h
5 He Helium atom 1SKh
6 Li Lithium atom 2SKh
7 Na Sodium atom 2SKh
8 K Potassium atom 2SKh
9 Cu Copper atom 2SKh
10 LiH Lithium Hydride 1ΣC∞v
11 Be Beryllium atom 1SKh
12 Be+ Beryllium atom cation 2SKh
13 Mg Magnesium atom 1SKh
14 Mg+ Magnesium atom cation 2SKh
15 Zn Zinc atom 1SKh
16 B Boron atom 2PKh
17 B Boron atom 4PKh
18 B+ Boron atom cation 1SKh
19 Al Aluminum atom 2PKh
20 Al+ Aluminum atom cation 1SKh
21 C Carbon atom 3P0Kh
22 C Carbon atom 3P1Kh
23 C+ Carbon atom cation 2PKh
24 Si Silicon atom 3PKh
25 Si Silicon atom 1SKh
26 Si+ Silicon atom cation 2PKh
27 CH4 Methane 1A1Td
28 N Nitrogen atom 4SKh
29 N+ Nitrogen atom cation 3PKh
30 P Phosphorus atom 4SKh
31 NH3 Ammonia 1A1C3v
32 O Oxygen atom 3SKh
33 O+ Oxygen atom cation 4SKh
34 S Sulfur atom 3PKh
35 OH Hydroxyl radical 2ΠC∞v
36 H2O Water 1A1C2v
37 F Fluorine atom 2PKh
38 F+ Fluorine atom cation 3SKh
39 Cl Chlorine atom 2PKh
40 Cl+ Chlorine atom cation 3PKh
41 Br Bromine atom 2PKh
42 HF Hydrogen fluoride 1ΣC∞v
43 HCl Hydrogen chloride 1ΣC∞v
44 Ne Neon atom 1SKh
45 Ne+ Neon atom cation 2PKh
46 Ar Argon atom 1SKh
47 Na2 Sodium diatomic 1ΣgD∞h
48 Si2 Silicon diatomic 3ΣgD∞h
49 C2H2 Acetylene 1ΣgD∞h
50 C2H4 Ethylene 1AgD2h
51 C2H6 Ethane 1A1gD3d
52 N2 Nitrogen diatomic 1ΣgD∞h
53 CH3NH2 methyl amine 1A'Cs
54 CO Carbon monoxide 1ΣC∞v
55 CS carbon monosulfide 1ΣC∞v
56 NO Nitric oxide 2ΠC∞v
57 O2 Oxygen diatomic 3ΣgD∞h
58 HO2 Hydroperoxy radical 2A"Cs
59 H2CO Formaldehyde 1A1C2v
60 H2O2 Hydrogen peroxide 1AC2
61 H2O2 Hydrogen peroxide 1AgC2h
62 BF Boron monofluoride 1ΣC∞v
63 F2 Fluorine diatomic 1ΣgD∞h
64 Cl2 Chlorine diatomic 1ΣgD∞h
65 C3H5 Allyl radical 2A2C2v
66 C3H6 Cyclopropane 1A1'D3h
67 CH2CHCH3 Propene 1A'Cs
68 CO2 Carbon dioxide 1ΣgD∞h
69 SO2 Sulfur dioxide 1A1C2v
70 HNO2 Nitrous acid 1A'Cs
71 CH3CO Acetyl radical 2A'Cs
72 BF3 Borane, trifluoro- 1A'D3h
73 AlF3 Aluminum trifluoride 1A1'D3h

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