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 CCSD /STO-3G

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count Species Name State Conformation
1 Li Lithium atom 2SKh
2 Na Sodium atom 2SKh
3 K Potassium atom 2SKh
4 LiH Lithium Hydride 1ΣC∞v
5 Be+ Beryllium atom cation 2SKh
6 Mg+ Magnesium atom cation 2SKh
7 B Boron atom 2PKh
8 B Boron atom 4PKh
9 Al Aluminum atom 2PKh
10 C Carbon atom 3P0Kh
11 C+ Carbon atom cation 2PKh
12 Si Silicon atom 3PKh
13 Si Silicon atom 1SKh
14 Si+ Silicon atom cation 2PKh
15 CH4 Methane 1A1Td
16 N Nitrogen atom 2DKh
17 N+ Nitrogen atom cation 3PKh
18 NH3 Ammonia 1A1C3v
19 OH Hydroxyl radical 2ΠC∞v
20 H2O Water 1A1C2v
21 F Fluorine atom 2PKh
22 HF Hydrogen fluoride 1ΣC∞v
23 HCl Hydrogen chloride 1ΣC∞v
24 Na2 Sodium diatomic 1ΣgD∞h
25 C2H2 Acetylene 1ΣgD∞h
26 C2H4 Ethylene 1AgD2h
27 C2H6 Ethane 1A1gD3d
28 N2 Nitrogen diatomic 1ΣgD∞h
29 CO Carbon monoxide 1ΣC∞v
30 CSe Carbon monoselenide 1ΣC∞v
31 NO Nitric oxide 2ΠC∞v
32 O2 Oxygen diatomic 3ΣgD∞h
33 H2CO Formaldehyde 1A1C2v
34 BF Boron monofluoride 1ΣC∞v
35 F2 Fluorine diatomic 1ΣgD∞h
36 Cl2 Chlorine diatomic 1ΣgD∞h
37 C3H5 Allyl radical 2A2C2v
38 C3H6 Cyclopropane 1A1'D3h
39 CH2CHCH3 Propene 1A'Cs
40 CO2 Carbon dioxide 1ΣgD∞h
41 SO2 Sulfur dioxide 1A1C2v
42 BF3 Borane, trifluoro- 1A'D3h
43 AlF3 Aluminum trifluoride 1A1'D3h
44 NI3 Nitrogen triiodide   

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He- Helium atom anion he-  
14 He+ Helium atom cation he+  
15 HeH Helium hydride heh  
16 HeH+ Helium hydride cation heh+  
17 He2+ helium diatomic cation he2+  
18 Li- Lithium atom anion li-  
19 Li+ Lithium atom cation li+  
20 Na- Sodium atom anion na-  
21 Na+ Sodium atom cation na+  
22 K- Potassium atom anion k-  
23 K+ Potassium atom cation k+  
24 Cu Copper atom cu  
25 Cu- Copper atom anion cu-  
26 Cu+ Copper atom cation cu+  
27 LiH- lithium hydride anion lih-  
28 LiH+ lithium hydride cation lih+  
29 NaH sodium hydride nah  
30 NaH- sodium hydride anion nah-  
31 NaH+ sodium hydride cation nah+  
32 KH Potassium hydride kh  
33 KH+ Potassium hydrogen cation kh+  
34 CuH Copper monohydride cuh  
35 Be- Beryllium atom anion be-  
36 Mg- Magnesium atom anion mg-  
37 Ca Calcium atom ca  
38 Ca- Calcium atom anion ca-  
39 Ca+ Calcium atom cation ca+  
40 Zn Zinc atom zn  
41 Zn- Zinc atom anion zn-  
42 Zn+ Zinc atom cation zn+  
43 BeH beryllium monohydride beh  
44 BeH- berylium monohydride anion beh-  
45 BeH+ beryllium monohydride cation beh+  
46 MgH magnesium monohydride mgh  
47 MgH- magnesium monohydride anion mgh-  
48 MgH+ magnesium monohydride cation mgh+  
49 CaH Calcium monohydride cah  
50 CaH+ Calcium monohydride cation cah+  
51 TiH Titanium monohydride tih  
52 ZnH Zinc monohydride znh  
53 ZnH+ Zinc, protonated znh+  
54 BeH2 beryllium dihydride beh2  
55 BeH2+ Beryllium dihydride cation beh2+  
56 MgH2 magnesium dihydride mgh2  
57 CaH2 Calcium Hydride cah2  
58 ZnH2 Zinc hydride znh2  
59 B- Boron atom anion b-  
60 B+ Boron atom cation b+  
61 Al- Aluminum atom anion al-  
62 Sc Scandium atom sc  
63 Sc+ Scandium cation sc+  
64 Ga Gallium atom ga  
65 Ga- Gallium atom anion ga-  
66 Ga+ Gallium atom cation ga+  
67 BH Boron monohydride bh  
68 BH- boron monohydride anion bh-  
69 BH+ boron monohydride cation bh+  
70 AlH aluminum monohydride alh  
71 AlH- aluminum monohydride anion alh-  
72 AlH+ aluminum monohydride cation alh+  
73 ScH Scandium monohydride sch  
74 ScH+ Scandium monohydride cation sch+  
75 GaH Gallium monohydride gah  
76 GaH+ Gallium monohydride cation gah+  
77 BH2 boron dihydride bh2  
78 BH2- boron dihydride anion bh2-  
79 BH2+ Boron dihydride cation bh2+  
80 AlH2 aluminum dihydride alh2  
81 AlH2- aluminum dihydride anion alh2-  
82 AlH2+ aluminum dihydride cation alh2+  
83 BH3 boron trihydride bh3  
84 BH3- boron trihydride anion bh3-  
85 BH3+ boron trihydride cation bh3+  
86 AlH3 aluminum trihydride alh3  
87 AlH3- aluminum trihydride anion alh3-  
88 AlH3+ aluminum trihydride cation alh3+  
89 ScH3 Scandium trihydride sch3  
90 GaH3 Gallium trihydride gah3  
91 BH4 borohydride bh4  
92 BH4- borohydride anion bh4-  
93 AlH4- Aluminum tetrahydride anion alh4-  
94 C- Carbon atom anion c-  
95 Si- Silicon atom anion si-  
96 Ti Titanium atom ti  
97 Ti- Titanium atom anion ti-  
98 Ti+ Titanium atom cation ti+  
99 Ge Germanium atom ge  
100 Ge- Germanium anion ge-  
101 Ge+ Germanium cation ge+  
102 Sn Tin atom sn  
103 Sn+ Tin cation sn+  
104 CH Methylidyne ch  
105 CH- methylidyne anion ch-  
106 CH+ Methylidyne cation ch+  
107 SiH Silylidyne sih  
108 SiH- silicon monohydride anion sih-  
109 SiH+ silicon monohydride cation sih+  
110 GeH germylidene geh  
111 GeH+ Germaniun monohyrdide cation geh+  
112 CH2 Methylene ch2  
113 CH2- methylene anion ch2-  
114 CH2+ methylene cation ch2+  
115 SiH2 silicon dihydride sih2  
116 SiH2- silicon dihydride anion sih2-  
117 SiH2+ silicon dihydride cation sih2+  
118 GeH2 germylene geh2  
119 GeH2- germylene anion geh2-  
120 CH3 Methyl radical ch3  
121 CH3- methyl anion ch3-  
122 CH3+ methyl cation ch3+  
123 SiH3 Silyl radical sih3  
124 SiH3- Silyl anion sih3-  
125 SiH3+ Silyl cation sih3+  
126 GeH3 Germyl radical geh3  
127 GeH3+ germyl cation geh3+  
128 CD4 methane-d4 cd4  
129 CH2D2 methane-d2 ch2d2  
130 CH3D methane-d ch3d  
131 CH4- Methane anion ch4-  
132 CH4+ Methane cation ch4+  
133 CHD3 methane-d3 chd3  
134 SiH2D2 silane-d2 sih2d2  
135 SiH4 Silane sih4  
136 SiH4+ Silane cation sih4+  
137 GeH4 Germane geh4  
138 SnH4 Stannane snh4  
139 SiH5+ Silane, protonated sih5+  
140 N- Nitrogen atom anion n-  
141 P- Phosphorus atom anion p-  
142 P+ Phosphorus atom cation p+  
143 V Vanadium atom v  
144 V+ Vanadium atom cation v+  
145 As Arsenic atomic as  
146 As- Arsenic anion as-  
147 As+ Arsenic cation as+  
148 Sb Antimony atom sb  
149 NH Imidogen nh  
150 NH- Imidogen anion nh-  
151 NH+ imidogen cation nh+  
152 PH phosphorus monohydride ph  
153 PH- phosphorus monohydride anion ph-  
154 PH+ phosphorus monohydride cation ph+  
155 AsH Arsenic monohydride ash  
156 AsH+ Arsenic monohydride cation ash+  
157 SbH Antimony monohydride sbh  
158 ND2 Amidogen-d2 nd2  
159 NH2 Amino radical nh2  
160 NH2- amino anion nh2-  
161 NH2+ Amino cation nh2+  
162 PH2 Phosphino radical ph2  
163 PH2- Phosphino anion ph2-  
164 PH2+ Phosphino cation ph2+  
165 AsH2 Arsenic dihydride ash2  
166 AsH2+ Arsenic dihydride cation ash2+  
167 ND3 Ammonia-d3 nd3  
168 NH3- Ammonia anion nh3-  
169 NH3+ ammonia cation nh3+  
170 PH3 Phosphine ph3  
171 PH3+ Phosphine cation ph3+  
172 AsH3 Arsine ash3  
173 AsH3+ Arsine cation ash3+  
174 SbH3 Stibine sbh3  
175 AsH4+ Arsonium ash4+  
176 NH4 Ammonium radical nh4  
177 NH4+ ammonium cation nh4+  
178 PH4 Phosphoranyl radical ph4  
179 PH4+ phosphonium cation ph4+  
180 O- Oxygen atom anion o-  
181 O+ Oxygen atom cation o+  
182 S- Sulfur atom anion s-  
183 S+ Sulfur atom cation s+  
184 Cr Chromium atom cr  
185 Se Selenium atom se  
186 Se- Selenium atom anion se-  
187 Se+ Selenium atom cation se+  
188 Te Tellurium atom te  
189 Te+ Tellurium atom cation te+  
190 DO Hydroxyl-d od  
191 OH- hydroxide anion oh-  
192 OH+ hydoxyl cation oh+  
193 DS Mercapto-d ds  
194 HS Mercapto radical hs  
195 HS- mercapto anion sh-  
196 HS+ sulfur monohydride cation sh+  
197 CrH Chromium hydride crh  
198 CrH+ Chromium hydride cation crh+  
199 HSe Selenium monohydride hse  
200 HSe- selenium monohydride anion hse-  
201 HSe+ selenium monohydride cation hse+  
202 TeH Telluryl radical teh  
203 D2O Deuterium oxide d2o  
204 H2O- water anion h2o-  
205 H2O+ water cation h2o+  
206 HDO Water-d1 hdo  
207 D2S Hydrogen sulfide-d2 d2s  
208 H2S Hydrogen sulfide h2s  
209 H2S- Hydrogen sulfide anion h2s-  
210 H2S+ Hydrogen sulfide cation h2s+  
211 H2Se Hydrogen selenide h2se  
212 H2Se+ Hydrogen selenide cation h2se+  
213 H2Te Hydrogen Telluride h2te  
214 H3O+ hydronium cation h3o+  
215 H3S+ Sulfonium cation h3s+  
216 H3Se+ Hydrogen Selenide, protonated h3se+  
217 F- Fluorine atom anion f-  
218 F+ Fluorine atom cation f+  
219 Cl- Chlorine atom anion cl-  
220 Cl+ Chlorine atom cation cl+  
221 Mn Manganese atom mn  
222 Br Bromine atom br  
223 Br- Bromine atom anion br-  
224 Br+ Bromine atom cation br+  
225 I Iodine atom iodine  
226 I- Iodine atom anion iodine-  
227 I+ Iodine atom cation iodine+  
228 DF Hydrofluoric acid-d df  
229 HF- hydrogen fluoride anion hf-  
230 HF+ hydrogen fluoride cation hf+  
231 DCl Hydrochloric acid-d dcl  
232 HCl- hydrogen chloride anion hcl-  
233 HCl+ hydrogen chloride cation hcl+  
234 HBr hydrogen bromide hbr  
235 HBr- hydrogen bromide anion hbr-  
236 HBr+ hydrogen bromide cation hbr+  
237 HI Hydrogen iodide hi  
238 HI+ Hydrogen iodide cation hi+  
239 H2F+ dihydrogen fluoride cation h2f+  
240 H2Cl+ dihydrogen monochloride cation h2cl+  
241 H2Br+ protonated hydrogen bromide h2br+  
242 H2I+ Iodonium h2i+  
243 Ne- Neon atom anion ne-  
244 Ne+ Neon atom cation ne+  
245 Ar- Argon atom anion ar-  
246 Ar+ Argon atom cation ar+  
247 Fe Iron atom fe  
248 Kr Krypton atom kr  
249 Kr+ Krypton cation kr+  
250 Xe Xenon atom xe  
251 HeLi+ Helium Lithium cation heli+  
252 NeH neon hydrogen neh  
253 NeH+ neon hydrogen cation neh+  
254 ArH+ Argon hydride cation arh+  
255 KrH+ Protonated Krypton krh+  
256 XeH+ Xenon, protonated xeh+  
257 H2Ar H2 Ar dimer h2ar  
258 Co Cobalt atom cobalt  
259 Ni Nickel atom ni  
260 Li2 Lithium diatomic li2  
261 Li2- lithium diatomic anion li2-  
262 Li2+ lithium diatomic cation li2+  
263 NaLi lithium sodium lina  
264 NaLi- lithium sodium anion lina-  
265 NaLi+ lithium sodium cation lina+  
266 LiK Lithium Potassium lik  
267 Na2- sodium diatomic anion na2-  
268 Na2+ sodium diatomic cation na2+  
269 NaK Sodium Potassium nak  
270 NaK+ Sodium Potassium diatomic cation nak+  
271 K2 Potassium diatomic k2  
272 Cu2 Copper diatomic cu2  
273 LiBe Lithium Beryllium libe  
274 LiMg Lithium magnesium limg  
275 NaBe Sodium Beryllium nabe  
276 NaMg Sodium Magnesium namg  
277 Be2 Beryllium diatomic be2  
278 Be2- Beryllium diatomic anion be2-  
279 Be2+ Beryllium diatomic cation be2+  
280 BeMg Beryllium Magnesium bemg  
281 Mg2 Magnesium diatomic mg2  
282 Mg2- magnesium diatomic anion mg2-  
283 Mg2+ magnesium diatomic cation mg2+  
284 Ca2 Calcium diatomic ca2  
285 LiB Lithium boride lib  
286 LiAl Lithium Aluminum lial  
287 NaAl Sodium aluminum naal  
288 BeB Beryllium monoboride beb  
289 B2 Boron diatomic b2  
290 B2- Boron diatomic anion b2-  
291 B2+ Boron diatomic cation b2+  
292 BAl Boron Aluminum bal  
293 Al2 Aluminum diatomic al2  
294 Al2- aluminum diatomic anion al2-  
295 Al2+ aluminum diatomic cation al2+  
296 BGa Boron Gallium bga  
297 AlGa Aluminum Gallium alga  
298 Ga2 Gallium diatomic ga2  
299 HBBH Diborane(2) hbbh  
300 LiBH4 Lithium borohydride libh4  
301 B2H4 Diborane(4) D2d b2h4  
302 HBHHBH Diborane(4) C2V hbhhbh  
303 B2H6 Diborane b2h6  
304 B2H6+ Diborane cation b2h6  
305 Al2H6 dialane al2h6  
306 Ga2H6 digallane ga2h6  
307 LiC Lithium Carbide lic  
308 BeC Beryllium Carbide bec  
309 CaC Calcium monocarbide cac  
310 BC boron monocarbide bc  
311 BC- boron monocarbide anion bc-  
312 BC+ boron monocarbide cation bc+  
313 AlC Aluminum carbide alc  
314 BSi Boron silicide bsi  
315 C2 Carbon diatomic c2  
316 C2- carbon diatomic anion c2-  
317 C2+ carbon diatomic cation c2+  
318 SiC silicon monocarbide sic  
319 SiC- silicon monocarbide anion sic-  
320 SiC+ silicon monocarbide cation sic+  
321 Si2 Silicon diatomic si2  
322 Si2- silcon diatomic anion si2-  
323 Si2+ silcon diatomic cation si2+  
324 GeC Germanium monocarbide gec  
325 SiGe Silicon Germanium sige  
326 Ge2 Germanium diatomic ge2  
327 C2H Ethynyl radical c2h  
328 C2H- Ethynyl anion c2h-  
329 C2H+ Ethynyl cation c2h+  
330 ZnCH2 Zinc methylene znch2  
331 C2H2+ acetylene cation c2h2+  
332 CCH2 vinylidene vinylidene  
333 H2CC- vinylidene anion h2cc-  
334 HCCH- acetylene anion c2h2-  
335 Si2H2 disilyne si2h2  
336 CH3Li methyl lithium ch3li  
337 CuCH3 monomethyl copper cuch3  
338 ZnCH3 Zinc monomethyl znch3  
339 CH2BH methyleneborane ch2bh  
340 C2H3 vinyl c2h3  
341 C2H3- vinyl anion c2h3-  
342 C2H3+ vinyl cation c2h3+  
343 C2H4- Ethylene anion c2h4-  
344 C2H4+ Ethylene cation c2h4+  
345 CH3CH methylmethylene ch3ch  
346 CH2SiH2 silaethylene ch2sih2  
347 Si2H4 Disilene si2h4  
348 CH3BH2 methylborane ch3bh2  
349 C2H5 Ethyl radical c2h5  
350 C2H5- Ethyl anion c2h5-  
351 C2H5+ Ethyl cation c2h5+  
352 C2H6+ ethane cation c2h6+  
353 CH3SiH3 methyl silane ch3sih3  
354 Si2H6 disilane si2h6  
355 GeH3CH3 methyl germane geh3ch3  
356 C2H7+ Ethane, protonated c2h7+  
357 LiN Lithium Nitride lin  
358 LiN+ Lithium Nitride cation lin+  
359 LiP Lithium monophosphide lip  
360 BeN Beryllium mononitride ben  
361 BeN- Beryllium mononitride anion ben-  
362 BeN+ Beryllium mononitride cation ben+  
363 MgN Magnesium Nitride mgn  
364 BN- boron nitride anion bn-  
365 AlN- aluminum mononitride anion aln-  
366 AlN+ aluminum mononitride cation aln+  
367 BP Boron monophosphide bp  
368 AlP Aluminum monophosphide alp  
369 GaN Gallium mononitride gan  
370 GaP Gallium monophosphide gap  
371 GaAs Gallium arsenide gaas  
372 BN boron nitride bn  
373 BN+ boron nitride cation bn+  
374 AlN Aluminum nitride aln  
375 CN Cyano radical cn  
376 CN- cyanide anion cn-  
377 CN+ Cyano cation cn+  
378 CP Carbon monophosphide cp  
379 CP- carbon monophosphide anion cp-  
380 CP+ carbon monophosphide cation cp+  
381 SiN Silicon nitride sin  
382 SiN- silicon mononitride anion sin-  
383 SiN+ silicon mononitride cation sin+  
384 SiP Silicon monophosphide sip  
385 SiP- Silicon monophosphide anion sip-  
386 SiP+ Silicon monophosphide cation sip+  
387 TiN Titanium mononitride tin  
388 N2- nitrogen diatomic anion n2-  
389 N2+ diatomic nitrogen cation n2+  
390 PN Phosphorus mononitride pn  
391 PN- phosphorus nitride anion pn-  
392 PN+ phosphorus nitride cation pn+  
393 P2 Phosphorus diatomic p2  
394 P2- phosphorus diatomic anion p2-  
395 P2+ phosphorus diatomic cation p2+  
396 AsN Arsenic mononitride asn  
397 AsP Arsenic monophosphide asp  
398 SbN Antimony nitride sbn  
399 As2 Arsenic diatomic as2  
400 HNB hydrogen nitrogen boron hnb  
401 HNC hydrogen isocyanide hnc  
402 HCN Hydrogen cyanide hcn  
403 HCN- Hydrogen cyanide anion hcn-  
404 HCN+ hydrogen cyanide cation hcn+  
405 HNC+ hydrogen isocyanide cation hnc+  
406 HCP Phosphaethyne hcp  
407 HCP+ Phosphaethyne cation hcp+  
408 NNH Dinitrogen monohydride nnh  
409 NNH+ Dinitrogen monohydride cation nnh+  
410 HPO Hydrogen phosphorus oxide hpo  
411 HPO+ Hydrogen phosphorus oxide cation hpo+  
412 LiNH2 lithium amide linh2  
413 HBNH Boranimine hbnh  
414 CNH2 Aminomethylidyne radical cnh2  
415 CNH2+ N-protonated hydrogen isocyanide cnh2+  
416 H2CN Dihydrogen cyanide radical h2cn  
417 H2CN+ hydrocyanonium cation h2cn+  
418 HCNH methyleneazane hcnh  
419 HCNH+ N-protonated HCN hcnh+  
420 H2NN Isodiazene h2nn  
421 N2H2 (E)-diazene n2h2  
422 N2H2 (Z)-Diazene n2h2z  
423 N2H2+ trans-diazene cation n2h2+  
424 CH2NH Methanimine ch3n  
425 CH2NH+ Methanimine cation ch2nh+  
426 CHNH2 aminomethylene chnh2  
427 CHNH2+ Aminocarbene cation chnh2+  
428 CH2PH Phosphaethene ch3p  
429 BH2NH2 Boranamine bh2nh2  
430 CH2NH2+ methyleneamine cation ch2nh2+  
431 N2H4 Hydrazine n2h4  
432 N2H4+ hydrazine cation n2h4+  
433 P2H4 Diphosphine p2h4  
434 CH3NH2 methyl amine ch3nh2  
435 CH3NH2+ methyl amine cation ch3nh2+  
436 CH3PH2 Methyl phosphine ch3ph2  
437 SiH3NH2 Silane, amino sih3nh2  
438 N2H5+ protonated hydrazine n2h5+  
439 BH3PH3 borane phosphine bh3ph3  
440 BH3NH3 borane ammonia bh3nh3  
441 CH3NH3 methyl ammonium radical ch3nh3  
442 CH3NH3+ protonated methylamine ch3nh3+  
443 CH3PH3+ methyl phosphine, protonated ch3ph3+  
444 NH3NH3 Ammonia Dimer nh3nh3  
445 N2H7+ ammonia ammonium dimer n2h7+  
446 LiO lithium oxide lio  
447 LiO- lithium oxide anion lio-  
448 LiO+ lithium oxide cation lio+  
449 LiS Lithium monosulfide lis  
450 LiS+ Lithium sulfide cation lis+  
451 NaO sodium monoxide nao  
452 NaO- sodium oxide anion nao-  
453 NaO+ sodium oxide cation nao+  
454 KO Potassium monoxide ko  
455 KO+ Potassium monoxide cation ko+  
456 NaS Sodium sulfide nas  
457 CuO Copper Monoxide cuo  
458 LiSe Lithium monoselenide lise  
459 BeO beryllium oxide beo  
460 BeO- Beryllium monoxide anion beo-  
461 BeO+ Beryllium monoxide cation beo+  
462 BeS beryllium sulfide bes  
463 MgO magnesium oxide mgo  
464 MgO- magnesium oxide anion mgo-  
465 MgO+ magnesium oxide cation mgo+  
466 CaO Calcium monoxide cao  
467 MgS magnesium sulfide mgs  
468 MgS- magnesium sulfide anion mgs-  
469 MgS+ magnesium sulfide cation mgs+  
470 CaS Calcium sulfide cas  
471 ZnO zinc monoxide zno  
472 ZnS Zinc sulfide zns  
473 BeS- Beryllium monosulfide anion bes-  
474 BeS+ Beryllium monosulfide cation bes+  
475 BO boron monoxide bo  
476 BO- boron monoxide anion bo-  
477 AlO Aluminum monoxide alo  
478 AlO- Aluminum monoxide anion alo-  
479 AlO+ aluminum monoxide cation alo+  
480 BS boron sulfide bs  
481 BS- boron monosulfide anion bs-  
482 BS+ boron monosulfide cation bs+  
483 AlS Aluminum sulfide als  
484 AlS- aluminum monosulfide anion als-  
485 AlS+ aluminum monosulfide cation als+  
486 ScO Scandium monoxide sco  
487 GaO Gallium monoxide gao  
488 GaS Gallium monosulfide gas  
489 BO+ boron monoxide cation bo+  
490 CO- carbon monoxide anion co-  
491 CO+ carbon monoxide cation co+  
492 CS carbon monosulfide cs  
493 CS- carbon monosulfide anion cs-  
494 CS+ carbon monosulfide cation cs+  
495 SiO Silicon monoxide sio  
496 SiO- silicon monoxide anion sio-  
497 SiO+ silicon monoxide cation sio+  
498 SiS silicon monosulfide sis  
499 SiS- silicon monosulfide anion sis-  
500 SiS+ silicon monosulfide cation sis+  
501 TiO Titanium monoxide tio  
502 CSe- Carbon monoselenide anion cse-  
503 CSe+ Carbon monoselenide cation cse+  
504 GeO Germanium monoxide geo  
505 GeO+ Germanium monoxide cation geo+  
506 GeS Germanium monosulfide ges  
507 SiSe Silicon Monoselenide sise  
508 SiSe+ Silicon Monoselenide cation sise+  
509 GeSe Germanium monoselenide gese  
510 NO- nitric oxide anion no-  
511 NO+ nitric oxide cation no+  
512 NS Mononitrogen monosulfide ns  
513 NS- nitrogen sulfide anion ns-  
514 NS+ nitrogen sulfide cation ns+  
515 PO Phosphorus monoxide po  
516 PO- phosphorus monoxide anion po-  
517 PO+ phosphorus monoxide cation po+  
518 PS phosphorus sulfide ps  
519 PS- phosphorus monosulfide anion ps-  
520 PS+ phosphorus monosulfide cation ps+  
521 VO Vanadium monoxide vo  
522 AsO Arsenic monoxide aso  
523 NSe Nitrogen monoselenide nse  
524 AsS Arsenic monosulfide ass  
525 PSe Phosphorus monoselenide pse  
526 AsSe Arsenic monoselenide asse  
527 O2- oxygen diatomic anion o2-  
528 O2-- dioxygen dianion o2--  
529 O2+ diatomic oxygen cation o2+  
530 SO Sulfur monoxide so  
531 SO- sulfur monoxide anion so-  
532 SO+ sulfur monoxide cation so+  
533 S2 Sulfur diatomic s2  
534 S2- sulfur diatomic anion s2-  
535 S2+ sulfur diatomic cation s2+  
536 SeO Selenium monoxide seo  
537 SeO- selenium monoxide anion seo-  
538 SeO+ selenium monoxide cation seo+  
539 SeS Selenium monosulfide ses  
540 SeS- selenium monosulfide anion ses-  
541 SeS+ selenium monosulfide cation ses+  
542 TeO Tellurium monoxide teo  
543 Se2 Selenium diatomic se2  
544 Se2- selenium diatomic anion se2-  
545 Se2+ selenium diatomic cation se2+  
546 Te2 Tellurium diatomic te2  
547 LiOH lithium hydroxide lioh  
548 NaOH sodium hydroxide naoh  
549 KOH Potassium hydroxide koh  
550 BeOH beryllium monohydroxide beoh  
551 MgOH magnesium hydroxide mgoh  
552 CaOH Calcium monohydroxide caoh  
553 HBO Boron hydride oxide hbo  
554 HBS hydrogen boron sulfide hbs  
555 COH Hydroxymethylidyne coh  
556 COH+ Carbon Monoxide, protonated coh+  
557 HCO Formyl radical hco  
558 HCO- formyl anion hco-  
559 HCO+ Formyl cation hco+  
560 HCS Thioformyl radical hcs  
561 HCS- Thioformyl anion hcs-  
562 HCS+ Thioformyl cation hcs+  
563 HNO Nitrosyl hydride hno  
564 HNO- Nitrosyl hydride anion hno-  
565 HNO+ Nitrosyl hydride cation hno+  
566 NOH Hydroxyimidogen noh  
567 NOH+ O-protonated nitric oxide noh+  
568 HNS Sulfur imide hns  
569 HNS- Sulfur imide anion hns-  
570 HO2 Hydroperoxy radical ho2  
571 HO2- Hydroperoxy anion ho2-  
572 HO2+ Hydroperoxy cation ho2+  
573 HSO+ Sulfur Monoxide, S-protonated HSO+  
574 SOH Sulfur Hydroxide soh  
575 SOH+ Sulfur Monoxide, protonated soh+  
576 HS2 Thiosulfeno radical hs2  
577 H2CO- formaldehyde anion h2co-  
578 H2CO+ formaldehyde cation h2co+  
579 HOCH hydroxycarbene hoch  
580 H2CS Thioformaldehyde h2cs  
581 H2CS- thioformaldehyde anion h2cs-  
582 H2CS+ thioformaldehyde cation h2cs+  
583 H2CSe Selenoformaldehyde h2cse  
584 H2NO nitroxide h2no  
585 H2O2 Hydrogen peroxide h2o2  
586 H2O2+ Hydrogen peroxide cation h2o2+  
587 H2OO water oxide h2oo  
588 HOSH hydrogen thioperoxide hosh  
589 H2S2 Disulfane h2s2  
590 H2S2+ hydrogen disulfide cation h2s2+  
591 H2Se2 hydrogen diselenide h2se2  
592 CH2OH Hydroxymethyl radical ch2oh  
593 CH2OH+ hydroxymethyl cation ch2oh+  
594 CH3O Methoxy radical ch3o  
595 CH3O- methoxy anion ch3o-  
596 CH3O+ Methoxy cation ch3o+  
597 CH3S thiomethoxy ch3s  
598 H2CSH+ Thioformaldehyde, protonated h2csh+  
599 NH2OH hydroxylamine nh2oh  
600 NH2OH+ Hydroxylamine cation nh2oh+  
601 NH3O Ammonia Oxide nh3o  
602 H2POH Phosphinous acid h2poh  
603 H3PO Phosphine oxide h3po  
604 NH2SH Thiohydroxylamine nh2sh  
605 NH3S sulfidoazane nh3s  
606 H3O2+ hydrogen peroxide, protonated h3o2+  
607 CH3OH Methyl alcohol ch3oh  
608 CH3OH- Methyl alcohol anion ch3oh-  
609 CH3OH+ Methyl alcohol cation ch3oh+  
610 CH3SH Methanethiol ch3sh  
611 CH3SH+ Methanethiol cation ch3sh+  
612 SiH3OH silanol sih3oh  
613 CH3SeH Methane selenol ch3seh  
614 NH2OH2+ protonated hydroxylamine nh2oh2+  
615 NH3OH+ N-protonated hydroxylamine nh3oh+  
616 H2OH2O water dimer h2oh2o  
617 CH3OH2+ Methanol, protonated ch3oh2+  
618 CH3SH2+ protonated methylsulfide ch3sh2+  
619 H2ONH3 Water Ammonia Dimer h2onh3  
620 H5O2+ Dihydroxonium ion h5o2+  
621 LiF lithium fluoride lif  
622 LiCl lithium chloride licl  
623 LiCl- lithium chloride anion licl-  
624 LiCl+ lithium chloride cation licl+  
625 NaF sodium fluoride naf  
626 NaF- sodium fluoride anion naf-  
627 NaF+ sodium fluoride cation naf+  
628 KF Potassium Fluoride kf  
629 NaCl Sodium Chloride nacl  
630 NaCl- sodium chloride anion nacl-  
631 NaCl+ sodium chloride cation nacl+  
632 KCl Potassium Chloride kcl  
633 CuF Copper monofluoride cuf  
634 LiBr Lithium Bromide libr  
635 LiBr- lithium bromide anion libr-  
636 LiBr+ lithium bromide cation libr+  
637 CuCl Copper monochloride cucl  
638 NaBr Sodium Bromide nabr  
639 NaBr- sodium bromide anion nabr-  
640 NaBr+ sodium bromide cation nabr+  
641 KBr Potassium Bromide kbr  
642 LiI Lithium Iodide lii  
643 NaI Sodium Iodide nai  
644 KI Potassium Iodide ki  
645 LiF- lithium fluoride anion lif-  
646 LiF+ lithium fluoride cation lif+  
647 BeF Beryllium monofluoride bef  
648 BeF- Beryllium monofluoride anion bef-  
649 BeF+ Beryllium monofluoride cation bef+  
650 BeCl beryllium monochloride becl  
651 MgF Magnesium monofluoride mgf  
652 MgF- magnesium fluoride anion mgf-  
653 MgF+ magnesium fluoride cation mgf+  
654 CaF Calcium monofluoride caf  
655 MgCl magnesium monochloride mgcl  
656 MgCl- magnesium monochloride anion mgcl-  
657 MgCl+ magnesium monochloride cation mgcl+  
658 CaCl calcium monochloride cacl  
659 TiCl Titanium Monochloride ticl  
660 ZnF Zinc monofluoride znf  
661 ZnF- Zinc monofluoride anion znf-  
662 ZnF+ Zinc monofluoride cation znf+  
663 ZnCl Zinc monochloride zncl  
664 CaBr Calcium monobromide cabr  
665 BeCl- beryllium monochloride anion becl-  
666 BeCl+ beryllium monochloride cation becl+  
667 BF- Boron monofluoride anion bf-  
668 BF+ Boron monofluoride cation bf+  
669 AlF Aluminum monofluoride alf  
670 AlF- Aluminum monofluoride anion alf-  
671 AlF+ Aluminum monofluoride cation alf+  
672 BCl boron monochloride bcl  
673 BCl- boron monochloride anion bcl-  
674 BCl+ boron monochloride cation bcl+  
675 AlCl Aluminum monochloride alcl  
676 AlCl- aluminum monochloride anion alcl-  
677 AlCl+ aluminum monochloride cation alcl+  
678 ScF Scandium monofluoride scf  
679 BBr Boron monobromide bbr  
680 GaF Gallium monofluoride gaf  
681 GaF+ Gallium monofluoride cation gaf+  
682 AlBr Aluminum monobromide albr  
683 GaCl Gallium monochloride gacl  
684 GaCl+ Gallium monochloride cation gacl+  
685 AlI Aluminum monoiodide ali  
686 GaBr Gallium monobromide gabr  
687 CF Fluoromethylidyne cf  
688 CF- carbon monofluoride anion cf-  
689 CF+ carbon monofluoride cation cf+  
690 CCl carbon monochloride ccl  
691 CCl- carbon monochloride anion ccl-  
692 CCl+ carbon monochloride cation ccl+  
693 SiF silicon monofluoride sif  
694 SiF- silicon monofluoride anion sif-  
695 SiF+ silicon monofluoride cation sif+  
696 SiCl Clorosilylidyne sicl  
697 SiCl- silicon monochloride anion sicl-  
698 SiCl+ silicon monochloride cation sicl+  
699 CBr Carbon monobromide cbr  
700 GeF Germanium monofluoride gef  
701 GeF+ Germanium monofluoride cation gef+  
702 GeCl Germanium monochloride gecl  
703 GeCl+ Germanium monochloride cation gecl+  
704 SiBr Silicon monobromide sibr  
705 SiBr+ Silicon monobromide cation sibr+  
706 NF nitrogen fluoride nf  
707 NF- nitrogen monofluorine anion nf-  
708 NF+ nitrogen monofluoirde cation nf+  
709 NCl nitrogen monochloride ncl  
710 NCl- nitrogen monochloride anion ncl-  
711 NCl+ nitrogen monochloride cation ncl+  
712 PF phosphorus monofluoride pf  
713 PF- phosphorus monofluoride anion pf-  
714 PF+ phosphorus monofluoride cation pf+  
715 PCl phosphorus chloride pcl  
716 PCl- phosphorus monochloride anion pcl-  
717 PCl+ phosphorus monochloride cation pcl+  
718 AsF Arsenic monofluoride asf  
719 NBr nitrogen monobromide nbr  
720 AsCl Arsenic monochloride ascl  
721 PBr Phosphorus monobromide pbr  
722 SbF Antimony monofluoride sbf  
723 SbCl Antimony monochloride sbcl  
724 FO Oxygen monofluoride fo  
725 FO- flourine oxide anion fo-  
726 FO+ fluorine monoxide cation fo+  
727 ClO Monochlorine monoxide clo  
728 ClO- chlorine monoxide anion clo-  
729 ClO+ chlorine monoxide cation clo+  
730 SF Monosulfur monofluoride sf  
731 SF- sulfur monofluoride anion sf-  
732 SF+ sulfur monofluoride cation sf+  
733 SCl sulfur monochloride scl  
734 SCl- sulfur monochloride anion scl-  
735 SCl+ sulfur monochloride cation scl+  
736 BrO Bromine monoxide bro  
737 BrO- Bromine monoxide anion bro-  
738 BrO+ Bromine monoxide cation bro+  
739 SeF Selenium monofluoride sef  
740 SBr Sulfur monobromide radical sbr  
741 SBr+ Sulfur monobromide cation sbr+  
742 SeCl Selenium monochloride secl  
743 IO Iodine monoxide io  
744 SeBr Selenium monobromide sebr  
745 BrCl Bromine monochloride brcl  
746 F2- flourine diatomic anion f2-  
747 F2+ flourine diatomic cation f2+  
748 ClF Chlorine monofluoride clf  
749 ClF- clorine monofluoride anion clf-  
750 ClF+ clorine monofluoride cation clf+  
751 Cl2- chlorine diatomic anion cl2-  
752 Cl2+ chlorine diatomic cation cl2+  
753 BrF Bromine monofluoride brf  
754 BrF- bromine fluoride anion brf-  
755 BrF+ bromine fluoride cation brf+  
756 BrCl- bromine chloride anion brcl-  
757 BrCl+ bromine chloride cation brcl+  
758 IF Iodine monofluoride if  
759 Br2 Bromine diatomic br2  
760 Br2- bromine diatomic anion br2-  
761 Br2+ bromine diatomic cation br2+  
762 ICl Iodine monochloride icl  
763 IBr Iodine monobromide ibr  
764 I2 Iodine diatomic i2  
765 I2+ Iodine diatomic cation i2+  
766 HCF Fluoromethylene hcf  
767 HCCl Chloromethylene hccl  
768 HSiF fluorosilylene hsif  
769 HSiCl Chlorosilylene hsicl  
770 HSiBr monobromosilylene hsibr  
771 CHBr bromomethylene chbr  
772 HOF Hypofluorous acid hfo  
773 DOCl Hypochlorous acid-d docl  
774 HOCl hypochlorous acid hocl  
775 HOCl+ hypochlorous acid cation hocl+  
776 HOBr Hypobromous acid hobr  
777 HOBr+ Hypobromous acid cation hobr+  
778 HOI Hypoiodous acid hoi  
779 F2H+ Fluorine, protonated f2h+  
780 FHF Hydrogen difluoride fhf  
781 FHF- Hydrogen difluoride anion fhf-  
782 ClFH+ Chlorine fluoride, F-protonated clfh+  
783 FClH+ Chlorine fluoride, Cl-protonated fclh+  
784 Cl2H+ Chlorine, protonated cl2h+  
785 CH2Br bromomethyl radical ch2br  
786 CH2F fluoromethyl radical ch2f  
787 CH2F+ fluoromethyl cation ch2f+  
788 CH2Cl+ chloromethyl cation ch2cl+  
789 CH2Cl chloromethyl radical ch2cl  
790 NH2F monofluoroamine nh2f  
791 NH2Cl chloramine nh2cl  
792 H2F2 Hydrogen fluoride dimer h2f2  
793 CH3F+ methyl fluoride cation ch3f+  
794 CD3F methylfluoride-d3 cd3f  
795 CH3F Methyl fluoride ch3f  
796 CD3Cl methyl chloride d3 cd3cl  
797 CH3Cl Methyl chloride ch3cl  
798 CH3Cl+ Methyl chloride cation ch3cl+  
799 SiH3F monofluorosilane sih3f  
800 SiH3Cl chlorosilane sih3cl  
801 CH3Br methyl bromide ch3br  
802 GeH3F monofluorogermane geh3f  
803 GeH3Cl monochlorogermane geh3cl  
804 SiH3Br bromosilane sih3br  
805 CH3I methyl iodide ch3i  
806 SiH3I Silyl Iodide sih3i  
807 NH3Cl+ protonated monochloroammonia nh3cl+  
808 CH3ClH+ methyl chloride, protonated ch3clh+  
809 NH4Cl Ammonium chloride nh4cl  
810 LiNe+ Lithium Neon cation line+  
811 Ne2 Neon diatomic ne2  
812 Ne2+ Neon diatomic cation ne2+  
813 Ar2 Argon diatomic ar2  
814 Ar2+ Argon diatomic cation ar2+  
815 Li3 Lithium trimer li3  
816 Li3+ Lithium trimer cation li3+  
817 C3 carbon trimer c3  
818 C3+ carbon trimer cation c3+  
819 SiC2 Silicon dicarbide sic2  
820 C3H3 cyclopropenyl radical cpr  
821 C3H3 Propargyl radical propargyl  
822 C3H3- Propargyl anion c3h3-  
823 C3H3+ cyclopropenyl cation cpr+  
824 C3H3+ Propargyl cation c3h3+  
825 C3H4 cyclopropene cprop  
826 CH2CCH2 allene allene  
827 CH3CCH propyne propyne  
828 C3H5+ Allyl cation allyl+  
829 CH3CHCH 1-propenyl radical ch3chch  
830 Zn(CH3)2 dimethyl zinc dmz  
831 C3H7 n-Propyl radical npropyl  
832 C3H7+ cyclopropane, protonated c3h7+  
833 CH3CHCH3 Isopropyl radical isopropyl  
834 CH3CHCH3+ Isopropyl cation prop2yl+  
835 C3H8 Propane propane  
836 SiH2(CH3)2 dimethylsilane dms  
837 Si3H8 trisilane si3h8  
838 LiCN lithium cyanide licn  
839 NaCN Sodium Cyanide nacn  
840 KCN Potassium cyanide kcn  
841 CuCN Copper cyanide cucn  
842 ZnCN Zinc monocyanide zncn  
843 ZnNC Zinc isocyanide znnc  
844 AlCN Aluminum monocyanide alcn  
845 AlNC Aluminum isocyanide alnc  
846 CN2 3H-Diazirin-3-ylidene cn2  
847 CNN Diazocarbene cnn  
848 NCN Cyanoimidogen ncn  
849 N3 azide radical n3  
850 N3- azide anion n3-  
851 N3+ azide cation n3+  
852 HCCN cyanomethylene hccn  
853 HCNN diazomethyl radical hcnn  
854 HN3 hydrogen azide hn3  
855 HN3+ Hydrazoic acid cation hn3+  
856 HNCNH diiminomethane hncnh  
857 CH2N2 diazirine ch2n2  
858 CH2NN diazomethane ch2nn  
859 NH2CN cyanamide cyanamide  
860 HNNNH+ 1,2-Triazadienium n2h3+  
861 NH2NN+ hydrazoic acid, protonated nh2nn+  
862 CH3CN Acetonitrile ch3cn  
863 CH3CN- acetonitrile anion ch3cn-  
864 CH3CN+ Acetonitrile cation ch3cn+  
865 CH3NC methyl isocyanide ch3nc  
866 CHNCH2 2H-Azirine c157164  
867 CHNHCH 1H-Azirine chnhch  
868 H2CCNH Ethenimine ch2cnh  
869 H2CNCH methyleneaminomethylene ch2nch  
870 HCCNH2 Ethynamine hccnh2  
871 HCNCH2+ 2H-Azirine cation hcnch2+  
872 HNCNH2+ diiminomethane, protonated hncnh2+  
873 NCNH3+ Cyanamide, protonated ncnh3+  
874 NH2CNH+ cyanamide, cn protonated nh2cnh+  
875 NH3CN+ cyanamide, amine protonated nh3cn+  
876 CH2CHNH vinylazine ch2chnh  
877 CH3CHN methylmethaniminyl radical ch3chn  
878 NHCHNH2 aminomethanimine cn2h4  
879 C2H5N Aziridine c2h5n  
880 CH2CHNH2 aminoethene aminoethene  
881 CH2NCH3 N-methylmethanimine nmm  
882 CH3CHNH ethanimine ethanimine  
883 NH2BHNH2 diaminoborane nh2bhnh2  
884 C2H5NH+ Protonated Aziridine c2h5nh+  
885 C2H6N+ aziridine, protonated c2h6n+  
886 NH2CH2NH2 diaminomethane nh2ch2nh2  
887 CH3CH2NH2 Ethylamine etam  
888 CH3NHCH3 Dimethylamine ch3nhch3  
889 CH3PHCH3 dimethylphosphine ch3phch3  
890 NH2CH2NH3+ diaminoethane, protonated pdam  
891 (CH3)2NH2+ dimethylammonium cation dmam  
892 CH3CH2NH3+ ethylamine, protonated pea  
893 Li2O dilithium oxide li2o  
894 Li2O+ dilithium oxide cation li2o+  
895 Li2S dilithium sulfide li2s  
896 Na2O disodium monoxide na2o  
897 Na2S Sodium sulfide na2s  
898 LiO2 Lithium dioxide lio2  
899 NaO2 Sodium superoxide nao2  
900 CCO Dicarbon monoxide cco  
901 CNO- fulminate cno-  
902 NCO isocyanato radical nco  
903 NCO- cyanate nco-  
904 SCN thiocyanato radical scn  
905 SCN- thiocyanide anion scn-  
906 BO2 Boron dioxide bo2  
907 BO2- Boron dioxide anion bo2-  
908 BO2+ Boron dioxide cation bo2+  
909 N2O Nitrous oxide n2o  
910 N2O- Nitrous oxide anion n2o-  
911 N2O+ Nitrous oxide cation n2o+  
912 NNS Nitrogen sulfide nns  
913 PPO Phosphorus oxide phosphide ppo  
914 CO2- Carbon dioxide anion co2-  
915 CO2+ Carbon dioxide cation co2+  
916 OCS Carbonyl sulfide cos  
917 OCS+ Carbonyl sulfide cation cos+  
918 SiO2 silicon dioxide sio2  
919 CS2 Carbon disulfide cs2  
920 CS2- Carbon disulfide anion cs2-  
921 CS2+ Carbon disulfide cation cs2+  
922 TiO2 Titanium dioxide tio2  
923 SiS2 Silicon disulfide sis2  
924 GeO2 Germanium dioxide geo2  
925 OCSe Carbonyl selenide ocse  
926 SCSe Carbon sulfide selenide scse  
927 GeS2 Germanium disulfide ges2  
928 CSe2 Carbon diselenide cse2  
929 SCTe Carbon sulfide Telluride scte  
930 NO2 Nitrogen dioxide no2  
931 NO2- Nitrogen dioxide anion no2-  
932 NO2+ Nitrogen dioxide cation no2+  
933 NSO sulfinyl amidogen NSO  
934 PO2 Phosphorus dioxide po2  
935 PO2- Phosphorus dioxide anion po2-  
936 PO2+ Phosphorus dioxide cation po2+  
937 SNO Nitrogen oxide sulfide sno  
938 AsO2 Aresenic dioxide aso2  
939 O3 Ozone o3  
940 O3- Ozone anion o3-  
941 O3+ Ozone cation o3+  
942 SO2- Sulfur dioxide anion so2-  
943 SO2+ Sulfur dioxide cation so2+  
944 SSO Disulfur monoxide sso  
945 S3 Sulfur trimer s3  
946 S3- Sulfur trimer anion s3-  
947 S3+ Sulfur trimer cation s3+  
948 SeO2 Selenium dioxide seo2  
949 SeO2+ Selenium dioxide cation seo2+  
950 TeO2 Tellurium Dioxide teo2  
951 HCCO ketenyl radical ketenyl  
952 CS2H+ Carbon disulfide, protonated cs2h+  
953 HCNO fulminic acid hcno  
954 HNCO Isocyanic acid hnco  
955 HOCN cyanic acid hocn  
956 HNCS Isothiocyanic acid hncs  
957 HSCN thiocyanic acid hscn  
958 HCO2- formate anion hco2-  
959 HNNO nitrosoazane hnno  
960 HNNO+ Nitrous oxide, N-protonated hnno+  
961 NNOH+ Nitrous Oxide, O-protonated nnoh+  
962 HCOO formate neutral radical hcoo  
963 HOCO Hydrocarboxyl radical hoco  
964 HOCO+ Hydrocarboxyl cation hoco+  
965 HNO2 Nitrous acid hno2  
966 HNO2+ nitrous acid cation hno2+  
967 O3H+ protonated ozone o3h+  
968 SO2H+ protonated sulfur dioxide so2h+  
969 C2H2O Oxirene oxirene  
970 CH2CO Ketene ch2co  
971 CH2CO+ Ketene cation ch2co+  
972 HCCOH ethynol hccoh  
973 CH2CS Thioketene ch2cs  
974 Be(OH)2 Beryllium hydroxide beo2h2  
975 Mg(OH)2 Magnesium dihydroxide h2mgo2  
976 NH2NO Nitrosamide nh2no  
977 CH2O2 Dioxirane diox  
978 H2COO Dioxymethyl radical h2coo  
979 H2COO+ dioxymethyl cation h2coo+  
980 HCOOH Formic acid ch2o2  
981 H2O3 Hydrogen trioxide h2o3  
982 HSSSH trisulfane hsssh  
983 NaOCH3 Sodium methoxide naoch3  
984 CH2BOH hydroxy(methylene)borane ch2boh  
985 BH3CO Borane carbonyl bh3co  
986 CH3BO Borane, methyloxo- ch3bo  
987 CH2CHO Vinyloxy radical ch2cho  
988 CH2COH+ ketene, protonated ch2coh+  
989 CH3CO Acetyl radical ch3co  
990 CH3CO- Acetyl anion ch3co-  
991 CH3CO+ acetyl cation ch3co+  
992 CH2NOH formaldoxime ch2noh  
993 CH3NO nitrosomethane ch3no  
994 CHONH2 formamide formamide  
995 CNOH3 1,2-oxaziridine cnoh3  
996 HOCHNH hydroxymethylimine hochnh  
997 CHSNH2 thioformamide chsnh2  
998 NHCHSH Methanimidothioic acid nhchsh  
999 CH2OOH CH2OOH radical ch2ooh  
1000 CH3OO methylperoxy radical ch3oo  
1001 CH3OO- methylperoxy anion ch3oo-  
1002 CH3OO+ methylperoxy cation ch3oo+  
1003 C2H4O Ethylene oxide c2h4o  
1004 C2H4O+ ethylene oxide cation c2h4o+  
1005 CH2CHOH ethenol ch2choh  
1006 CH3CHO Acetaldehyde ch3cho  
1007 CH3CHO+ acetaldehyde cation ch3cho+  
1008 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1009 C2H4S Thiirane thiirane  
1010 CH2CHSH Ethenethiol ch2chsh  
1011 CH3CHS Thioacetaldehyde ch3chs  
1012 H2CONH2+ protonated formamide h2conh2+  
1013 NH2CHOH+ Formamide, O-protonated nh2choh+  
1014 NH3CHO+ Formamide, N-Protonated nh3cho+  
1015 CH2(OH)2 methanediol ch2o2h2  
1016 CH3OOH Methyl peroxide ch3ooh  
1017 CH3SSH Hydrogen methyl disulfide ch3ssh  
1018 HSCH2SH Methanedithiol ch4s2  
1019 H2OH2CO water formaldehyde dimer h2oh2co  
1020 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1021 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1022 CH3CH2O Ethoxy radical ethoxy  
1023 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1024 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1025 CH3OCH2 methoxymethyl radical ch3och2  
1026 NH2CH2OH aminomethanol nh2ch2oh  
1027 CH3CH2OH Ethanol etoh  
1028 CH3OCH3 Dimethyl ether meome  
1029 CH3CH2SH ethanethiol etsh  
1030 CH3SCH3 Dimethyl sulfide mesme  
1031 CH3SCH3+ dimethyl sulfide cation mesme+  
1032 CH3SeCH3 dimethylselenide dmse  
1033 CH3OHH2O methanol water dimer ch3ohh2o  
1034 H2OCH3OH water methanol dimer h2och3oh  
1035 CuF2 Copper difluoride cuf2  
1036 ZnF2 Zinc difluoride znf2  
1037 CNF iso cyanogen fluoride cnf  
1038 FCN Cyanogen fluoride fcn  
1039 ClCN chlorocyanogen clcn  
1040 BrCN Cyanogen bromide brcn  
1041 ICN Cyanogen iodide icn  
1042 FBO Boron monofluoride monoxide fbo  
1043 BeF2 Beryllium fluoride bef2  
1044 MgF2 Magnesium fluoride mgf2  
1045 BeCl2 Beryllium chloride becl2  
1046 MgCl2 Magnesium dichloride mgcl2  
1047 CaCl2 Calcium Chloride cacl2  
1048 ZnCl2 Zinc dichloride zncl2  
1049 BeBr2 Beryllium bromide bebr2  
1050 CaBr2 Calcium dibromide cabr2  
1051 CaF2 Calcium difluoride caf2  
1052 FCO Carbonyl fluoride fco  
1053 FCO+ Carbonyl fluoride cation fco+  
1054 ClCO carbonyl monochloride clco  
1055 BF2 Boron difluoride radical bf2  
1056 FNO Nitrosyl fluoride fno  
1057 ClNO Nitrosyl chloride clno  
1058 FNS Thionitrosyl fluoride fns  
1059 FSN Thiazyl fluoride fsn  
1060 OPCl Phosphorus oxychloride opcl  
1061 BrNO Nitrosyl bromide brno  
1062 INO Nitrosyl iodide ino  
1063 CF2 Difluoromethylene cf2  
1064 CF2- Difluoromethylene anion cf2-  
1065 CF2+ Difluoromethylene cation cf2+  
1066 CFCl chlorofluoromethylene cfcl  
1067 SiF2 Silicon difluoride sif2  
1068 SiF2+ Silicon difluoride cation sif2+  
1069 CCl2 dichloromethylene ccl2  
1070 CCl2- dichloromethylene anion ccl2-  
1071 CCl2+ dichloromethylene cation ccl2+  
1072 SiCl2 Dichlorosilylene sicl2  
1073 GeF2 Germanium difluoride gef2  
1074 GeCl2 Germanium dichloride gecl2  
1075 CBr2 dibromomethylene cbr2  
1076 FOO Dioxygen monofluoride radical foo  
1077 FOO+ Fluorine dioxide cation foo+  
1078 ClOO chloroperoxy radical cloo  
1079 ClOO+ chloroperoxy cation cloo+  
1080 OClO Chlorine dioxide oclo  
1081 OClO- Chlorine dioxide anion oclo-  
1082 OClO+ Chlorine dioxide cation oclo+  
1083 ClSO Sulfur chloride oxide clso  
1084 ClS2 Sulfur chloride cls2  
1085 BrOO Bromine dioxide broo  
1086 OBrO Bromine dioxide radical obro  
1087 NF2 Difluoroamino radical nf2  
1088 NF2+ Difluoroamino cation nf2+  
1089 PF2 Phosphorus difluoride pf2  
1090 PF2+ Phosphorus difluoride cation pf2+  
1091 FClO chlorosyl fluoride fclo  
1092 F2O Difluorine monoxide f2o  
1093 ClOF Chlorine hypofluorite clof  
1094 SF2 sulfur difluoride sf2  
1095 SF2- sulfur difluoride anion sf2-  
1096 SF2+ sulfur difluoride cation sf2+  
1097 Cl2O Dichlorine monoxide cl2o  
1098 SCl2 Sulfur dichloride scl2  
1099 SeF2 Selenium difluoride sef2  
1100 BrOCl Bromine hypochlorite brocl  
1101 SeCl2 Selenium Dichloride secl2  
1102 SBr2 Sulfur dibromide sbr2  
1103 SeBr2 Selenium dibromide sebr2  
1104 BrOBr Bromine oxide brobr  
1105 F3- trifluoride anion f3-  
1106 Cl3- trichloride anion cl3-  
1107 Br3- tribromide anion br3-  
1108 I3- triiodide i3-  
1109 SFCl Sulfur chloride fluoride sfcl  
1110 HCCF Fluoroacetylene hccf  
1111 HCCF+ fluoroacetylene cation hccf+  
1112 HCCCl Chloroacetylene hcccl  
1113 HCCBr bromoacetylene hccbr  
1114 HFCO formyl fluoride hfco  
1115 HFCO+ formyl fluoride cation hfco+  
1116 COHCl Formyl chloride cohcl  
1117 COHBr Formyl bromide cohbr  
1118 BHF2 Difluoroborane bhf2  
1119 BHCl2 Borane, dichloro- bhcl2  
1120 CHCl2 dichloromethyl radical chcl2  
1121 CHF2 difluoromethyl radical chf2  
1122 CHF2+ difluoromethyl cation chf2+  
1123 CHFCl Chlorofluoromethyl radical chfcl  
1124 CHFCl+ Chlorofluoromethyl cation chfcl+  
1125 CHCl2+ dichloromethyl cation chcl2+  
1126 CHBr2 dibromomethyl radical chbr2  
1127 HOClO Chlorous acid hoclo  
1128 NHF2 difluoramine nhf2  
1129 NHCl2 dichloroamine nhcl2  
1130 CH2F2 Methane, difluoro- ch2f2  
1131 CH2FCl fluorochloromethane ch2fcl  
1132 SiH2F2 difluorosilane sih2f2  
1133 CH2Cl2 Methylene chloride ch2cl2  
1134 CH2BrF Methane, bromofluoro- ch2fbr  
1135 CH2BrCl Methane, bromochloro- ch2clbr  
1136 CH2FI fluoroiodomethane ch2fi  
1137 CH2Br2 dibromomethane ch2br2  
1138 CH2ClI chloroiodomethane ch2cli  
1139 CH2BrI bromoiodomethane ch2bri  
1140 CH2I2 Diiodomethane ch2i2  
1141 SiH2Cl2 dichlorosilane sih2cl2  
1142 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1143 CH2CHF Ethene, fluoro- ch2chf  
1144 CH2CHF+ fluoroethene cation ch2chf+  
1145 C2H3Cl Ethene, chloro- ch2chcl  
1146 C2H3Br vinyl bromide c2h3br  
1147 C2H3I Vinyl iodide c2h3i  
1148 CH2FOH fluoromethanol ch2foh  
1149 CH3OCl methyl hypochlorite ch3ocl  
1150 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1151 CHClCH3 1-chloroethyl radical chclch3  
1152 C2H5F fluoroethane c2h5f  
1153 CH3CH2Cl Ethyl chloride c2h5cl  
1154 CH3SiFH2 fluoromethylsilane ch3sifh2  
1155 C2H5Br Ethyl bromide etbr  
1156 C2H5I Ethyl iodide c2h5i  
1157 KrF2 Krypton difluoride krf2  
1158 XeF2 Xenon difluoride xef2  
1159 B4H10 Tetraborane(10) b4h10  
1160 C4 Carbon tetramer c4  
1161 C4+ Carbon tetramer cation c4+  
1162 C4H2 Diacetylene c4h2  
1163 C4H2+ diacetlyene cation c4h2+  
1164 C2H3CCH 1-Buten-3-yne c2h3cch  
1165 C4H4 cyclobutadiene cbd  
1166 C4H4 Tetrahedrane c4h4  
1167 H2CCCCH2 Butatriene h2cccch2  
1168 C4H6 1-Methylcyclopropene c3100047  
1169 C4H6 Cyclobutene c822355  
1170 C4H6 Methylenecyclopropane c6142730  
1171 CH2CCHCH3 1,2-Butadiene butad12  
1172 CH2CHCHCH2 1,3-Butadiene c106990  
1173 CH3CCCH3 2-Butyne c503173  
1174 CHCCH2CH3 1-Butyne c107006  
1175 CH3CHCHCH2 methylallyl radical c4h7  
1176 C4H8 methylcyclopropane mcp  
1177 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1178 CH2CHCH2CH3 1-Butene bute1  
1179 CH3CHCHCH3 2-Butene, (E)- bute2e  
1180 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1181 B(CH3)3 trimethylborane bme3  
1182 Al(CH3)3 trimethyl aluminum tma  
1183 C(CH3)3 Tert-butyl radical tbutyl  
1184 CH2CH(CH3)2 Isobutyl radical isobutyl  
1185 CH3CHCH2CH3 2-Butyl radical butyl2  
1186 CH3CH(CH3)CH3 Isobutane isobutane  
1187 CH3CH2CH2CH3 Butane butane  
1188 SiH(CH3)3 trimethylsilane trimsi  
1189 Li3N trilithium nitride li3n  
1190 C2N2 Cyanogen c2n2  
1191 C2N2+ Cyanogen cation c2n2+  
1192 P4 Phosphorus tetramer p4  
1193 As4 Arsenic tetramer as4  
1194 HCCCN Cyanoacetylene hcccn  
1195 HCCCN+ Cyanoacetylene cation hcccn+  
1196 H2CNCN cyanamide, methylene ch2ncn  
1197 HNCCNH Ethenediimine hnccnh  
1198 C3H3N acrylonitrile ch2chcn  
1199 C3H3N+ acrylonitrile cation ch2chcn+  
1200 CH3N3 methyl azide ch3n3  
1201 NH2CCNH2 Diaminoacetylene daa  
1202 NH2CH2CN Aminoacetonitrile aan  
1203 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1204 C2H5CN ethyl cyanide c2h5cn  
1205 CH5N3 Guanidine guanidine  
1206 C4H6 Bicyclo[1.1.0]butane c157335  
1207 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1208 H2NCHCHNH2 diaminoethylene dae  
1209 CH6N3+ guanidinium ch6n3+  
1210 C3H7N Cyclopropylamine cpram  
1211 CH7N3 triaminomethane tam  
1212 C3H7N Azetidine azet  
1213 C4H8 cyclobutane cbutane  
1214 C2H8N2 Ethylenediamine ethdiam  
1215 CH3NHNHCH3 dimethyl hydrazine dmh  
1216 CH3CH(NH2)CH3 2-Propanamine pram2  
1217 N(CH3)3 Trimethylamine trimeam  
1218 NH2CH2CH2CH3 1-Propanamine pram1  
1219 P(CH3)3 trimethylphosphine tmp  
1220 N(SiH3)3 trisilylamine tsa  
1221 As(CH3)3 trimethyl arsine tmas  
1222 (CH3)3NH+ protonated trimethyl amine ptma  
1223 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1224 Li2O2 dilithium dioxide li2o2  
1225 Na2O2 disodium dioxide na2o2  
1226 K2O2 dipotassium dioxide k2o2  
1227 C3O Tricarbon monoxide c3o  
1228 B2O2 Diboron dioxide b2o2  
1229 ONNO NO dimer onno  
1230 S2N2 Disulfur dinitride s2n2  
1231 CO3 Carbon trioxide co3  
1232 CO3-- carbonate co3--  
1233 CS3-- Carbonotrithioate cs3--  
1234 NO3 Nitrogen trioxide no3  
1235 NO3- nitrate anion no3-  
1236 NO3+ nitrogen trioxide cation no3+  
1237 SO3 Sulfur trioxide so3  
1238 SO3- Sulfur trioxide anion so3-  
1239 SO3-- Sulfate dianion so3--  
1240 SO3+ Sulfur trioxide cation so3+  
1241 SeO3 selenium trioxide seo3  
1242 S4 Sulfur tetramer s4  
1243 TeO3 Tellurium trioxide teo3  
1244 HCO3- bicarbonate anion hco3-  
1245 HNO3 Nitric acid hno3  
1246 HSO3 Hydroxysulfonyl radical hso3  
1247 NH2NO2 nitramide nh2no2  
1248 C2H2CO cyclopropenone c2h2co  
1249 C3H2O Propadienal c3h2o  
1250 HCCCHO 2-propynal hcccho  
1251 C2H2O2 Ethanedial c2h2o2  
1252 C2H2O2+ Ethanedial cation c2h2o2+  
1253 H2CO3 Carbonic acid h2co3  
1254 H2CS3 thiocarbonic acid h2cs3  
1255 H2NO3+ Nitric Acid, Protonated h2no3+  
1256 H2SO3 Sulfurous acid h2so3  
1257 C2H3NO Nitrosoethylene c2h3no  
1258 CH3NCO methylisocyante ch3nco  
1259 HOCH2CN cyanomethanol hoch2cn  
1260 CH3COO- acetate anion ch3coo-  
1261 CH3NO2 Methane, nitro- ch3no2  
1262 CH3ONO Methyl nitrite ch3ono  
1263 NH2COOH Carbamic acid nh2cooh  
1264 H3BO3 Boric acid h3bo3  
1265 H3AlO3 Aluminum hydroxide h3alo3  
1266 H3CO3+ carbonic acid, protonated h3co3+  
1267 C3H4O 2-Propyn-1-ol c107197  
1268 C3H4O allenol c9000071  
1269 C3H4O Cyclopropanone cpone  
1270 C3H4O Methylketene c6004440  
1271 CH2CHCHO Acrolein c3h4o  
1272 NH2CONH2 Urea urea  
1273 NH2CONH2+ Urea cation urea+  
1274 NH2CSNH2 Thiourea thiourea  
1275 C2H4O2 1,3-dioxetane c2h4o2  
1276 CH3COOH Acetic acid ch3cooh  
1277 CH3OCHO methyl formate ch3ocho  
1278 CHOCH2OH hydroxy acetaldehyde haa  
1279 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1280 NH3COOH+ protonated Carbamic acid nh3cooh+  
1281 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1282 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1283 HCOOHH2O Formic acid water dimer hcoohh2o  
1284 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1285 CH3COCH2 Acetonyl radical ch3coch2  
1286 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1287 CH3C(OH)=NH Ethaninidic acid eia  
1288 CH3CHNOH Acetaldoxime acetaldoxime  
1289 CH3CONH2 Acetamide acetamide  
1290 HCONHCH3 N-methylformamide nmfa  
1291 CH3CSNH2 Ethanethioamide ch3csnh2  
1292 CH5N2O+ urea, N-protonated ch4n2o+  
1293 H2NCOHNH2+ urea, protonated ureah+  
1294 C2H5OO ethylperoxy radical c2h5oo  
1295 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1296 C3H5OH Cyclopropanol cproh  
1297 C3H6O 2-Propen-1-ol c107186  
1298 C3H6O Acetone enol enol  
1299 C3H6O Oxetane oxetane  
1300 C3H6O Propylene oxide prox  
1301 CH3CH2CHO Propanal propanal  
1302 CH3COCH3 Acetone acetone  
1303 CH3COCH3- acetone anion ch3coch3-  
1304 C3H6S Thietane thietane  
1305 C3H6S Thiirane, methyl- methiirane  
1306 CH3CSCH3 Thioacetone ch3csch3  
1307 C2H6O2 1,2-Ethanediol ethdiol  
1308 CH3OOCH3 dimethylperoxide dmp  
1309 CH3SOCH3 Dimethyl sulfoxide dmso  
1310 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1311 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1312 CH3COHCH3+ acetone, protonated acetoneh+  
1313 HOCH2CH2NH2 monoethanolamine mea  
1314 C3H7OH 1-Propanol proh  
1315 CH3CHOHCH3 Isopropyl alcohol isoproh  
1316 CH3OC2H5 Ethane, methoxy- etome  
1317 C3H7SH 1-Propanethiol prsh  
1318 CH3CHSHCH3 2-Propanethiol isoprsh  
1319 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1320 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1321 Li2F2 Lithium fluoride dimer li2f2  
1322 Na2F2 Sodium Fluoride Dimer na2f2  
1323 Na2Cl2 Disodium dichloride na2cl2  
1324 C2F2 difluoroacetylene c2f2  
1325 C2Cl2 dichloroacetylene c2cl2  
1326 C2Cl2+ dichloroacetylene cation c2cl2+  
1327 FNO2 Nitryl fluoride fno2  
1328 FONO Nitrosyl hypofluorite fono  
1329 ClNO2 Nitryl chloride clno2  
1330 ClONO chlorine nitrite clono  
1331 BrONO Bromine nitrite brono  
1332 N2F2 (Z)-Difluorodiazene n2f2_z  
1333 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1334 CF2O Carbonic difluoride f2co  
1335 CF2O+ Carbonic difluoride cation f2co+  
1336 COFCl Carbonic chloride fluoride cofcl  
1337 CCl2O Phosgene cl2co  
1338 Cl2CS Thiophosgene cl2cs  
1339 COBr2 Carbonic dibromide cobr2  
1340 BF3- Borane, trifluoro- anion bf3-  
1341 BF3+ boron trifluoride cation bf3+  
1342 BClF2 Chlorodifluoroborane bclf2  
1343 AlF2Cl Aluminum chloride difluoride alclf2  
1344 ScF3 Scandium trifluoride ScF3  
1345 AlFCl2 Aluminum dichloride fluoride alcl2f  
1346 BCl3 Borane, trichloro- bcl3  
1347 BCl3+ Boron Trichloride cation bcl3+  
1348 GaF3 Gallium trifluoride gaf3  
1349 AlCl3 Aluminum trichloride alcl3  
1350 GaCl3 Gallium trichloride gacl3  
1351 BBr3 Boron tribromide bbr3  
1352 AlBr3 Aluminum Bromide albr3  
1353 ClO3 Chlorine trioxide clo3  
1354 ClO3- chlorate anion clo3-  
1355 BrO3- Bromate anion bro3-  
1356 CF3 Trifluoromethyl radical cf3  
1357 CF3- Trifluoromethyl anion cf3-  
1358 CF3+ Trifluoromethyl cation cf3+  
1359 CF2Cl difluorochloromethyl radical cf2cl  
1360 SiF3 Silicon trifluoride radical sif3  
1361 SiF3+ Silicon trifluoride cation sif3+  
1362 CFCl2 dichlorofluoromethyl radical cfcl2  
1363 CCl3 Trichloromethyl radical ccl3  
1364 CCl3- Trichloromethyl anion ccl3-  
1365 CCl3+ Trichloromethyl cation ccl3+  
1366 SiCl3 trichlorosilyl radical sicl3  
1367 SiCl3+ trichlorosilyl cation sicl3+  
1368 CBr3 tribromomethyl radical cbr3  
1369 FOOF Perfluoroperoxide foof  
1370 ClO2F Chloryl fluoride clo2f  
1371 F2SO Thionyl Fluoride f2so  
1372 ClOOCl Dichlorine dioxide cloocl  
1373 FSSF Difluorodisulfane fssf  
1374 S2F2 Thio-thionyl fluoride s2f2  
1375 SOCl2 thionyl chloride socl2  
1376 SSCl2 Thiothionyl chloride sscl2  
1377 SeOCl2 selenium oxychloride seocl2  
1378 NF3 Nitrogen trifluoride nf3  
1379 NF3- Nitrogen trifluoride anion nf3-  
1380 NF3+ Nitrogen trifluoride cation nf3+  
1381 PF3 Phosphorus trifluoride pf3  
1382 NCl3 nitrogen trichloride ncl3  
1383 AsF3 Arsenic trifluoride asf3  
1384 PCl3 Phosphorus trichloride pcl3  
1385 SbF3 Antimony Trifluoride sbf3  
1386 AsCl3 Arsenous trichloride ascl3  
1387 SbCl3 Antimony Trichloride sbcl3  
1388 NBr3 Nitrogen Tribromide nbr3  
1389 PBr3 Phosphorus tribromide pbr3  
1390 AsBr3 Arsenic tribromide asbr3  
1391 PI3 Phosphorus triiodide pi3  
1392 ClSSCl Disulfur dichloride s2cl2  
1393 SF3 Sulfur trifluoride sf3  
1394 ClF3 Chlorine trifluoride clf3  
1395 BrF3 Bromine trifluoride brf3  
1396 IF3 iodone trifluoride if3  
1397 HClO3 Chloric Acid hclo3  
1398 CHF3 Methane, trifluoro- chf3  
1399 CHF2Cl difluorochloromethane chf2cl  
1400 SiHF3 trifluorosilane sihf3  
1401 CHFCl2 fluorodichloromethane chfcl2  
1402 CDCl3 trichloromethane-d cdcl3  
1403 CHCl3 Chloroform chcl3  
1404 CHBrF2 Methane, bromodifluoro- chbrf2  
1405 SiHCl3 Trichlorosilane sihcl3  
1406 CHFClBr fluorochlorobromomethane chfclbr  
1407 CHBrCl2 Methane, bromodichloro- chbrcl2  
1408 CHF2I difluoroiodomethane chf2i  
1409 CHBr2F dibromofluoromethane chbr2f  
1410 CHFClI fluorochloroiodomethane chfcli  
1411 CHCl2I dichloroiodomethane chcl2i  
1412 CHClBr2 Methane, dibromochloro- chclbr2  
1413 CHBr3 bromoform chbr3  
1414 CHI3 Iodoform chi3  
1415 NF3H+ protonated nitrogen trifluoride nf3h+  
1416 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1417 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1418 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1419 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1420 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1421 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1422 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1423 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1424 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1425 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1426 C2H2Br2 1,1-dibromoethene c2h2br2  
1427 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1428 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1429 CH2FCHO Fluoroacetaldehyde ch2fcho  
1430 CH3COF Acetyl fluoride ch3cof  
1431 CH2ClCHO chloroacetaldehyde ch2clcho  
1432 CH3COCl Acetyl Chloride ch3cocl  
1433 C2H4F2 1,2-difluoroethane c2h4f2  
1434 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1435 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1436 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1437 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1438 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1439 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1440 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1441 CH2CFCH3 2-fluoropropene 2fpro  
1442 CH2CHCH2F Allyl Fluoride allylf  
1443 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1444 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1445 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1446 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1447 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1448 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1449 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1450 CH2FCH2CH3 1-Fluoropropane prf1  
1451 CH3CHFCH3 2-Fluoropropane prf2  
1452 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1453 CH3CHClCH3 Propane, 2-chloro- prcl2  
1454 CH3CH2CH2Br n-propyl bromide prbr  
1455 CH3CHBrCH3 i-propyl bromide iprbr  
1456 C3H9O+ trimethyl oxonium cation c3h9o+  
1457 B5H9 pentaborane9 b5h9  
1458 C5H4 pentatetraene ptrene  
1459 C5H5 cyclopentadienyl radical c5h5  
1460 C5H5- cylopentadienyl anion c5h5-  
1461 C5H6 1,3-Cyclopentadiene c542927  
1462 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1463 C5H6 3-Penten-1-yne, (E)- c2004695  
1464 C5H6 3-Penten-1-yne, (Z)- c1574409  
1465 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1466 C5H6 Cyclopropylacetylene c6746947  
1467 C5H6 Propellane propellane  
1468 C5H7 1,3-pentadienyl radical pdyl  
1469 C5H7 cyclopentenyl radical cpyl  
1470 C5H8 1,2-Butadiene, 3-methyl- c598254  
1471 C5H8 1,2-Pentadiene c591957  
1472 C5H8 1,3-Butadiene, 2-methyl- c78795  
1473 C5H8 1,3-Pentadiene, (E)- c2004708  
1474 C5H8 1,3-Pentadiene, (Z)- c1574410  
1475 C5H8 1,4-Pentadiene c591935  
1476 C5H8 1-pentyne a1pentyne  
1477 C5H8 2,3-Pentadiene c591968  
1478 C5H8 Bicyclo[1.1.1]pentane bcp  
1479 C5H8 Cyclobutane, methylene- c1120565  
1480 C5H8 Cyclopentene c142290  
1481 C5H8 Ethenylcyclopropane c693867  
1482 CH3CCCH2CH3 2-Pentyne 2pentyne  
1483 C5H10 1-Butene, 2-methyl- c563462  
1484 C5H10 2-Butene, 2-methyl- c513359  
1485 C5H10 2-Pentene, (E)- c646048  
1486 C5H10 2-Pentene, (Z)- c627203  
1487 C5H10 Cyclopentane c287923  
1488 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1489 CH2CHCH2CH2CH3 1-pentene pentene  
1490 C5H11 2-Methylbut-2-yl radical c4348350  
1491 C5H12 Butane, 2-methyl- buta2  
1492 C5H12 Pentane pentane  
1493 C5H12 Propane, 2,2-dimethyl- neopentane  
1494 Si(CH3)4 tetramethylsilane tms  
1495 N2O3 Dinitrogen trioxide n2o3  
1496 C3H2N2 Malononitrile c3h2n2  
1497 CH2N4 1H-Tetrazole 1htz  
1498 C3H3N2 imidazolyl radical im  
1499 C3H3N2- imidizolyl anion im-  
1500 C2H3N3 1H-1,2,4-Triazole c288880  
1501 C4H4N pyrrolide radical c4h4n  
1502 C4H4N- pyrrolide anion c4h4n-  
1503 C3H4N2 1H-Imidazole 1himidaz  
1504 C3H4N2 1H-Pyrazole 1hpyraz  
1505 C3H4N2 2H-Imidazole imid2h  
1506 C3H4N2 4H-Imidazole imid4h  
1507 C4H5N (E)-2-Butenenitrile c627269  
1508 C4H5N (Z)-2-Butenenitrile c1190767  
1509 C4H5N 2H-pyrrole pyrrole2  
1510 C4H5N 3H-pyrrole pyrrole3  
1511 C4H5N Cyclopropanecarbonitrile c5500210  
1512 C4H5N Pyrrole pyrrole  
1513 CH2CHCH2CN Allylcyanide ch2chch2cn  
1514 C4H6N+ pyrrole, alpha-protonated appyr  
1515 C4H6N+ pyrrole, beta-protonated bppyr  
1516 C4H6N+ pyrrole, protonated ppyr  
1517 C3H6N2 3-Aminopropionitrile c151188  
1518 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1519 CH3CH2CH2CN Butanenitrile c109740  
1520 C5H8 Bicyclo[2.1.0]pentane c185944  
1521 C5H8 Spiropentane c157404  
1522 C4H9N Cyclobutylamine cbam  
1523 C4H9N Pyrrolidine pyrrolidine  
1524 C3H10N2 1,2-Diaminopropane diampr12  
1525 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1526 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1527 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1528 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1529 NH(C2H5)2 diethylamine dea  
1530 NC4H12+ tetramethyl ammonium cation nc4h12+  
1531 C3O2 Carbon suboxide c3o2  
1532 C3O2+ Carbon suboxide cation c3o2+  
1533 B2O3 diboron trioxide b2o3  
1534 MgCO3 Magnesium Carbonate mgco3  
1535 BeCO3 Beryllium Carbonate beco3  
1536 CaCO3 Calcium Carbonate caco3  
1537 ONONO Nitrosyl nitrite onono  
1538 PO4--- phosphate po4---  
1539 SO4-- sulfate so4--  
1540 HOONO2 peroxy nitric acid hoono2  
1541 HSO4- bisulfate anion hso4-  
1542 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1543 C3H2O2 Propiolic acid c3h2o2  
1544 CHOCOOH oxo acetic acid oaa  
1545 CHOOCHO diformyl ether choocho  
1546 H2SO4 Sulfuric acid h2so4  
1547 H2SeO4 Selenic acid h2seo4  
1548 C3H3NO Isoxazole isox  
1549 C3H3NO Oxazole oxazole  
1550 C3H3NS Thiazole thiazole  
1551 CH3C(O)OO acetyl peroxy radical ch3coo2  
1552 CH3NO3 Methyl nitrate ch3no3  
1553 H3PO4 Phosphoric Acid h3po4  
1554 C4H4O Furan furan  
1555 C4H4O+ Furan cation furan+  
1556 CH3COCCH 3-butyn-2-one c1423605  
1557 C4H4S Thiophene furans  
1558 C4H4Se selenophene c4h4se  
1559 C3H4O2 β–Propiolactone beta  
1560 C3H4O2 2-Propenoic acid propenoic2  
1561 C3H4O2 Methyl glyoxal megly  
1562 C3H4O2 propanedial propanedial  
1563 C3H4O2 propenalol propenalol  
1564 HOCHCCHOH allenediol aldiol  
1565 C2H4O3 1,2,3-trioxolane c2h4o3  
1566 C2H4O3 trioxolane124 triox  
1567 HOCH2COOH Hydroxyacetic acid hac  
1568 CH2CHCONH2 Acrylamide c79061  
1569 CH3OCH2CN Methoxyacetonitrile c1738369  
1570 CH5N3S Hydrazinecarbothioamide c79196  
1571 H2NCH2COOH Glycine glycine  
1572 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1573 C4H6O cis-2-butenal butenal2c  
1574 C4H6O Cyclobutanone cbutone  
1575 C4H6O Furan, 2,3-dihydro- furan23h  
1576 C4H6O Furan, 2,5-dihydro- furan25h  
1577 CH2CHOCHCH2 Vinyl ether vinylether  
1578 CHOCHCHCH3 2-Butenal butenal2  
1579 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1580 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1581 CH2CHSCHCH2 Divinyl sulfide divis  
1582 C2H6N2O Urea, methyl- c598505  
1583 C3H6O2 1,3-Dioxolane dioxolane  
1584 CH3CH2COOH Propanoic Acid propanoic  
1585 CH3COOCH3 methyl acetate aame  
1586 HCOOC2H5 Ethyl formate faee  
1587 C2H6O2S Dimethyl sulfone c67710  
1588 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1589 C3H7NO dimethylformamide dmf  
1590 C3H7NO Propanamide propanam  
1591 C2H3OC2H5 Ethene, ethoxy- c109922  
1592 C4H8O Cyclobutanol c2919235  
1593 C4H8O Furan, tetrahydro- thf  
1594 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1595 CH3COCH2CH3 2-Butanone buta2one  
1596 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1597 CHOCH2CH2CH3 Butanal butanal  
1598 C4H8S Thiophene, tetrahydro- tht  
1599 C3H8O2 1,3-Propanediol c504632  
1600 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1601 C3H8O2 Methane, dimethoxy- c109875  
1602 C3H8O2 Propylene glycol c57556  
1603 C3H8S2 1,3-Propanedithiol c109808  
1604 C4H10O 1-Butanol butanol1  
1605 C4H10O 1-Propanol, 2-methyl- c78831  
1606 C4H10O 2-Butanol, (.+/-.)- butanol2  
1607 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1608 C4H10O Ethoxy ethane etoet  
1609 C4H10O Methyl propyl ether meopr  
1610 C4H10O Propane, 2-methoxy- c598538  
1611 C4H10O+ 1-Butanol cation butanol1+  
1612 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1613 C2H5SC2H5 Diethyl sulfide etset  
1614 C4H9SH 1-Butanethiol bush  
1615 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1616 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1617 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1618 FNO3 Fluorine nitrate fno3  
1619 ClONO2 Chlorine nitrate clono2  
1620 BrONO2 Bromine nitrate brono2  
1621 TiCl4 Titanium tetrachloride ticl4  
1622 ClO4- perchlorate anion clo4-  
1623 BF4- tetrafluoroboron anion bf4-  
1624 ClFO3 Perchloryl fluoride clfo3  
1625 SO2F2 Sulfuryl fluoride so2f2  
1626 SO2Cl2 Sulfuryl chloride so2cl2  
1627 F3NO Nitrogen trifluoride oxide f3no  
1628 F3PO Phosphoryl fluoride pf3o  
1629 Cl3PO Phosphoryl chloride pcl3o  
1630 CF4 Carbon tetrafluoride cf4  
1631 CF3Cl Methane, chlorotrifluoro- cf3cl  
1632 SiF4 Silicon tetrafluoride sif4  
1633 CF2Cl2 difluorodichloromethane cf2cl2  
1634 TiF4 Titanium tetrafluoride tif4  
1635 CFCl3 Trichloromonofluoromethane cfcl3  
1636 CF3Br Bromotrifluoromethane cf3br  
1637 GeF4 Germanium tetrafluoride gef4  
1638 CCl4 Carbon tetrachloride ccl4  
1639 CCl4+ Carbon tetrachloride cation ccl4+  
1640 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1641 SiCl4 Silane, tetrachloro- sicl4  
1642 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1643 CF3I trifluoroiodomethane cf3i  
1644 CBrCl3 Methane, bromotrichloro- cbrcl3  
1645 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1646 GeCl4 Germanium Tetrachloride gecl4  
1647 CBr2ClF dibromochlorofluoromethane cbr2clf  
1648 CBr2Cl2 dibromodichloromethane cbr2cl2  
1649 CCl3I trichloroiodomethane ccl3i  
1650 CFBr3 fluorotribromomethane cfbr3  
1651 CFClBrI fluorochlorobromoiodomethane cfclbri  
1652 CBr3Cl tribromochloromethane cbr3cl  
1653 CF2I2 difluorodiiodomethane cf2i2  
1654 CBr4 Carbon tetrabromide cbr4  
1655 CCl2I2 dichlorodiiodomethane ccl2i2  
1656 SiBr4 Silicon tetrabromide sibr4  
1657 CBr3I tribromoiododmethane cbr3i  
1658 GeBr4 Germanium tetrabromide gebr4  
1659 CI4 tetraiodomethane ci4  
1660 SiI4 silicon tetraiodide sii4  
1661 ClOF3 Chlorine trifluoride oxide clof3  
1662 SF4 Sulfur tetrafluoride sf4  
1663 SeF4 Selenium tetrafluoride sef4  
1664 SCl4 Sulfur tetrachloride scl4  
1665 C2HF3 Trifluoroethylene c2hf3  
1666 C2HF3+ Trifluoroethylene cation c2hf3+  
1667 CHClCCl2 Trichloroethylene chclccl2  
1668 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1669 HClO4 perchloric acid hclo4  
1670 HSO3F Fluorosulfonic acid hso3f  
1671 CF3OH trifluoromethanol cf3oh  
1672 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1673 CHClCCHCl 1,3-dichloroallene chclcchcl  
1674 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1675 CHCl2CHO dichloroacetaldehyde chcl2cho  
1676 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1677 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1678 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1679 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1680 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1681 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1682 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1683 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1684 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1685 NH3BCl3 Amminetrichloroboron nh3bcl3  
1686 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1687 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1688 C3H5ClO Oxirane, (chloromethyl)- c106898  
1689 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1690 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1691 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1692 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1693 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1694 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1695 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1696 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1697 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1698 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1699 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1700 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1701 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1702 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1703 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1704 C4H9F 1-fluorobutane butaf1  
1705 CH3CHFCH2CH3 2-fluorobutane butaf2  
1706 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1707 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1708 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1709 XeF4 Xenon tetrafluoride xef4  
1710 C2H2N2O Furazan furazan  
1711 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1712 NH3BF3 Amminetrifluoroboron nh3bf3  
1713 C6H2 hexatriyne c6h2  
1714 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1715 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1716 C6H4 Benzyne benzyne  
1717 C6H5 phenyl phenyl  
1718 C6H5- phenyl anion phenyl-  
1719 C6H6 Prismane prismane  
1720 C6H6 1,2,4,5-Hexatetraene ht1245  
1721 C6H6 2,4-Hexadiyne hexadiyne  
1722 C6H6 3,4-Dimethylenecyclobutene cb34m  
1723 C6H6 Benzene benzene  
1724 C6H6 Benzvalene bv  
1725 C6H6 Dewar Benzene dewar  
1726 C6H6 Hexa-1,5-diene-3-yne hdy153  
1727 C6H6 Trimethylenecycopropane tmcp  
1728 C6H6+ Benzene cation c6h6+  
1729 C6H7+ benzene, protonated c6h7+  
1730 C6H8 (E)-hexa-1,3,5-triene c821078  
1731 C6H8 (E)-hexa-2,3,4-triene c59660650  
1732 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1733 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1734 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1735 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1736 C6H8 3-Methylenecyclopentene c930267  
1737 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1738 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1739 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1740 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1741 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1742 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1743 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1744 C6H10 1,5-Hexadiene c592427  
1745 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1746 C6H10 1-Hexyne hexyne1  
1747 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1748 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1749 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1750 C6H10 2-Hexyne c764352  
1751 C6H10 3-Hexyne hexyne3  
1752 C6H10 cyclohexene cyclohexene  
1753 C6H10 Cyclopentene, 1-methyl- c693890  
1754 C6H10 Cyclopentene, 3-methyl- c1120623  
1755 C6H10 Cyclopentene, 4-methyl- c1759815  
1756 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1757 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1758 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1759 C6H12 (E)-2-Hexene e2hexene  
1760 C6H12 (E)-3-methylpent-2-ene c616126  
1761 C6H12 (E)-hex-3-ene e3hexene  
1762 C6H12 (Z)-3-methylpent-2-ene c922623  
1763 C6H12 (Z)-hex-2-ene z2hexene  
1764 C6H12 (Z)-hex-3-ene z3hexene  
1765 C6H12 2,3-dimethylbut-1-ene c563780  
1766 C6H12 2,3-dimethyl-but-2-ene tmeet  
1767 C6H12 3-methylenepentane c760214  
1768 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1769 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1770 C6H12 Cyclohexane cyclohexane  
1771 C6H12 Cyclopentane, methyl- c96377  
1772 C6H12 Ethylcyclobutane c4806615  
1773 C6H12 hex-1-ene hexene1  
1774 C6H14 Butane, 2,2-dimethyl- buta22  
1775 C6H14 Butane, 2,3-dimethyl- buta23  
1776 C6H14 Hexane hexane  
1777 C6H14 Pentane, 2-methyl- penta2  
1778 C6H14 Pentane, 3-methyl- penta3  
1779 C4N2 2-Butynedinitrile c4n2  
1780 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1781 C4H2N2 Fumaronitrile c4h2n2  
1782 C2H2N4 sym-tetrazine ttz  
1783 C3H3N3 1,3,5-Triazine triazine135  
1784 CH3N5 5-Aminotetrazole c4418615  
1785 C4H4N2 1,3-Diazine diazine13  
1786 C4H4N2 Pyrazine pyrazine  
1787 C4H4N2 Pyridazine pyridazine  
1788 C4H4N2 Succinonitrile c110612  
1789 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1790 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1791 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1792 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1793 C5H5N E-2,4-pentadienenitrile bdcn  
1794 C5H5N Pyridine pyridine  
1795 B3N3H6 borazine borazine  
1796 C6H6 Fulvene fulvene  
1797 C5H6N+ Pyridinium c5h6n  
1798 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1799 C5H7N (E)-2-Pentenenitrile c26294984  
1800 C5H7N (E)-3-Pentenenitrile c16529661  
1801 C5H7N (Z)-2-Pentenenitrile c25899507  
1802 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1803 C5H7N Cyclobutanecarbonitrile c4426113  
1804 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1805 C5H9N Butanenitrile, 2-methyl- c18936179  
1806 C5H9N Pentanenitrile c110598  
1807 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1808 C6H10 Bicyclo[3.1.0]hexane c285585  
1809 C5H11N Cyclopentanamine cypentam  
1810 C5H11N Piperidine piper  
1811 C4H12N2 1,2-Butanediamine c4426486  
1812 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1813 Li2CO3 Lithium Carbonate li2co3  
1814 Na2CO3 Sodium Carbonate na2co3  
1815 C2O4-- oxalate anion c2o4  
1816 MgSO4 Magnesium Sulfate mgso4  
1817 N2O4 Dinitrogen tetroxide n2o4  
1818 C3H2O3 vinylene carbonate vica  
1819 C2H2O4 Oxalic Acid oxalic  
1820 C2H3NO3 Oxamic acid oxamic  
1821 C4H4O2 2(5H)-Furanone furanone  
1822 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1823 C2H4N2O2 Oxalamide oxalamide  
1824 C2H4N2S2 Ethanedithioamide c79403  
1825 C2H4CO3 Ethylene carbonate etco3  
1826 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1827 C3H4S3 1,3-Dithiolane-2-thione c822388  
1828 C2H4O4 Formic acid dimer fadimer  
1829 C4H5NO 3-Methylisoxazole isox3m  
1830 C4H5NO Isoxazole, 5-methyl- c5765446  
1831 C4H5NS 4-Methylthiazole c693958  
1832 C2H5NO3 Nitric acid, ethyl ester c625581  
1833 C5H6O 2H-Pyran pyran2  
1834 C5H6O 2-methylfuran furan2m  
1835 C5H6O 3-Methylfuran furan3m  
1836 C5H6O Pentadienal pdal  
1837 C5H6S Thiophene, 2-methyl- c554143  
1838 C5H6S Thiophene, 3-methyl- c616444  
1839 C4H6O2 γ–Butyrolactone c96480  
1840 C4H6O2 2,3-Butanedione c431038  
1841 C4H6O2 2-Propenoic acid, methyl ester c96333  
1842 C4H6O2 Crotonic Acid crot  
1843 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1844 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1845 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1846 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1847 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1848 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1849 C4H6OS Vinyl sulfoxide c1115157  
1850 CH6N4S Carbonothioic dihydrazide thiacarb  
1851 C2H6N2O2 (E)-Azodioxymethane c37765154  
1852 C2H6N2O2 Dimethylnitroamine c4164287  
1853 C3H6O3 1,3,5-Trioxane trioxane  
1854 C3H6S3 1,3,5-Trithiane c3h6s3  
1855 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1856 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1857 C4H7NO 2-Pyrrolidinone c616455  
1858 C4H7NO Ethoxyacetonitrile etoaccn  
1859 C4H7NO Methacrylamide c79390  
1860 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1861 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1862 C3H7ONO Propyl nitrite prono  
1863 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1864 CH3CH(NH2)COOH Alanine alanine  
1865 CH3NHCH2COOH Sarcosine sarcosine  
1866 NH2CH2CH2COOH β–alanine betaalanine  
1867 NH2COOC2H5 Urethane urethane  
1868 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1869 C5H8O Cyclopentanone c120923  
1870 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1871 C5H8O Methyl cyclopropyl ketone c765435  
1872 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1873 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1874 NH2CONHC2H5 Urea, ethyl- c625525  
1875 C4H8O2 1,3-Dioxane dioxan13  
1876 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1877 C4H8O2 1,4-Dioxane dioxan14  
1878 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1879 C4H8O2 Ethyl acetate c141786  
1880 C4H8OS s-Ethyl thioacetate c625605  
1881 C3H8O3 1,2,3-Propanetriol glycerin  
1882 C3H8O2S (Methylsulfonyl)ethane c594434  
1883 C4H9NO Butanamide c541355  
1884 C4H9NO Propanamide, 2-methyl- c563837  
1885 C5H10O 2-Butanone, 3-methyl- c563804  
1886 C5H10O 2H-Pyran, tetrahydro- c142687  
1887 C5H10O 2-methylbutyraldehyde 2meba  
1888 C5H10O 2-Pentanone mpk  
1889 C5H10O 3-Pentanone dek  
1890 C5H10O Cyclopentanol c96413  
1891 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1892 C5H10O Pentanal pal  
1893 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1894 C5H10S 3-Ethylthio-1-propene c5296628  
1895 C5H10S Cyclopentanethiol c1679078  
1896 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1897 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1898 C4H10O2 1,1-Dimethoxyethane c534156  
1899 C4H10O2 1,3-Butanediol budiol13  
1900 C4H10O2 1,4-Butanediol budiol14  
1901 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1902 C4H10OS Diethyl sulfoxide c70291  
1903 C4H10S2 1,4-Butanedithiol budisl14  
1904 C4H11NO Diethylhydroxylamine c3710847  
1905 C5H12O 1-Butanol, 2-methyl- c137326  
1906 C5H12O 1-Butanol, 3-methyl- c123513  
1907 C5H12O 1-Pentanol pentanol1  
1908 C5H12O 2-Butanol, 3-methyl- c598754  
1909 C5H12O 2-Pentanol peol2  
1910 C5H12O 3-Pentanol pentan3ol  
1911 C5H12O Butane, 1-methoxy- meobu  
1912 C5H12O Propane, 1-ethoxy- proet  
1913 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1914 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1915 C5H12S 1-Butanethiol, 3-methyl- c541311  
1916 C5H12S 1-Pentanethiol c110667  
1917 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1918 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1919 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1920 C5H12S Butane, 1-(methylthio)- c628295  
1921 C5H12S Ethyl propyl sulfide c4110503  
1922 C5H12S Propane, 2-(ethylthio)- c5145993  
1923 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1924 C4F2 difluorobutadiyne c4f2  
1925 ClCOClCO Oxalyl chloride oxcl  
1926 CF3CN Acetonitrile, trifluoro- cf3cn  
1927 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1928 B2F4 Diboron tetrafluoride b2f4  
1929 B2Cl4 Diboron tetrachloride b2cl4  
1930 C2F4 Tetrafluoroethylene c2f4  
1931 C2F4+ Tetrafluoroethylene cation c2f4+  
1932 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1933 CF2CCl2 difluorodichloroethylene cf2ccl2  
1934 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1935 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1936 C2FCl3 fluorotrichloroethene c2fcl3  
1937 C2Cl4 Tetrachloroethylene c2cl4  
1938 C2Br4 tetrabromoethene c2br4  
1939 CF3OF Trifluoromethylhypofluorite cf3of  
1940 SiF5- silicon pentafluoride anion sif5-  
1941 SOF4 Sulfur tetrafluoride oxide sof4  
1942 PF5 Phosphorus pentafluoride pf5  
1943 AsF5 Arsenic pentafluoride asf5  
1944 PCl5 Phosphorus pentachloride pcl5  
1945 SF5 Sulfur pentafluoride sf5  
1946 SF5+ pentafluoro sulfur cation sf5+  
1947 SbCl5 Antimony pentachloride sbcl5  
1948 BrF5 bromine pentafluoride brf5  
1949 ClF5 chlorinepentafluoride clf5  
1950 IF5 pentafluoroiodine if5  
1951 CF3CHO trifluoroacetaldehyde cf3cho  
1952 CCl3CHO trichloroacetaldehyde ccl3cho  
1953 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1954 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1955 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1956 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1957 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1958 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1959 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1960 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1961 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1962 CF3COOH trifluoroacetic acid cf3cooh  
1963 C4H3ClO Furan, 2-chloro fur2cl  
1964 C4H3ClO Furan,3-chloro fur3cl  
1965 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1966 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1967 C4H8Cl2 1,4-Dichlorobutane c110565  
1968 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1969 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1970 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1971 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1972 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1973 C5H11Cl Pentane, 1-chloro- pencl1  
1974 C4H8O2 Butanoic acid bua  
1975 C6H5CH2 benzyl radical benzyl  
1976 C7H7 cycloheptatrienyl radical c7h7  
1977 C7H7+ cycloheptatrienyl cation c7h7+  
1978 C6H5CH3 toluene toluene  
1979 C7H8 cycloheptatriene cht  
1980 C7H8 Norbornadiene norbor  
1981 C7H8 Quadricyclane qucy  
1982 C7H12 Norbornane nor  
1983 C7H14 cycloheptane c7h14  
1984 C7H16 2-methylhexane 2mhex  
1985 C7H16 3-methylhexane hex3m  
1986 C7H16 heptane heptane  
1987 CH(CN)3 tricyanomethane mecn3  
1988 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1989 C6H7N 2-Methylpyridine mp  
1990 C6H5NH2 aniline aniline  
1991 C6H13N 2-Methylpiperidine pip2m  
1992 C6H13N cyclohexanamine cham  
1993 C6H15N triethylamine tea  
1994 N2O5 Dinitrogen pentoxide n2o5  
1995 C4H2O3 Maleic Anhydride malan  
1996 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1997 C5H4O2 furfural furfural  
1998 C6H5O phenoxy radical phenoxy  
1999 C5H5NO 2(1H)-Pyridinone c72762006  
2000 C5H5NO 2(3H)-Pyridinone c9000048  
2001 C5H5NO 2(5H)-Pyridinone c9000037  
2002 C5H5NO 2-Pyridinol c109104  
2003 C5H5NO 3(2H)-Pyridinone c9000004  
2004 C5H5NO 3(4H)-Pyridinone c9000026  
2005 C5H5NO 3(6H)-Pyridinone c9000015  
2006 C5H5NO 3-Pyridinol c109002  
2007 C5H5NO 4(1H)-Pryidinone c9000060  
2008 C5H5NO 4(3H)-Pryidinone c9000059  
2009 C5H5NO 4-Pyridinol c626642  
2010 C6H5OH phenol phenol  
2011 C6H6O 2,4-Cyclohexadienone c24599573  
2012 C6H6O 2,5-Cyclohexadienone c5664335  
2013 C6H5SH Benzenethiol phsh  
2014 HO2CCHNH2CH2OH Serine serine  
2015 C5H8O2 Acetylacetone acac  
2016 C4H8O2S Sulfolane sulfolane  
2017 C7H10 Norbornene norbornene  
2018 CH(C2H3)3 trivinyl methane tvm  
2019 C6H10O cyclohexanone chexo  
2020 C6H12O hexanal c6h12o  
2021 C6H12O Oxepane oxepane  
2022 C3H7OC3H7 di-n-propyl ether propr  
2023 F2CCCF2 tetrafluoroallene pfa  
2024 CF3COO- trifluoro acetate anion cf3coo-  
2025 CF3COF trifluoroacetyl fluoride cf3cof  
2026 CF3COCl trifluoroacetyl chloride cf3cocl  
2027 PF6 Hexafluorophosphate neutral pf6  
2028 PF6- Hexafluorophosphate ion pf6-  
2029 SF6 Sulfur Hexafluoride sf6  
2030 SeF6 Selenium hexafluoride sef6  
2031 SF5Cl sulfur chloropentafluoride sf5cl  
2032 CF3CHF2 pentafluoroethane cf3chf2  
2033 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2034 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2035 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2036 CCl3CHCl2 pentachloroethane ccl3chcl2  
2037 C6H5F Fluorobenzene bzf  
2038 C6H5Cl chlorobenzene bzcl  
2039 C6H5Br bromobenzene bzbr  
2040 C8H6 Calicene calicene  
2041 C6H5CCH phenylacetylene phac  
2042 C8H6 benzocyclobutadiene bcbd  
2043 C8H6 Pentalene pentalene  
2044 C6H5CHCH2 Styrene styrene  
2045 C8H8 cubane cubane  
2046 C8H8 cyclooctatetraene cot  
2047 C6H5CH2CH3 Ethylbenzene etbz  
2048 CH3C6H4CH3 meta-xylene mxylene  
2049 CH3C6H4CH3 paraxylene pxylene  
2050 C8H14 Bicyclo[2.2.2]octane bico222  
2051 C8H16 cyclooctane cyclooct  
2052 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2053 C8H18 Octane c8h18  
2054 C6H5CN phenyl cyanide phcn  
2055 C6H12N2 Triethylenediamine ted  
2056 C4O4-- squarate dianion c4o4--  
2057 S4N4 Tetrasulfur tetranitride s4n4  
2058 S8 Octasulfur s8  
2059 C6H4O2 parabenzoquinone pbq  
2060 C4H4N2O2 Uracil uracil  
2061 C6H5CHO benzaldehyde benzal  
2062 C6H5OCH3 Anisole anisole  
2063 C5H9NO2 Proline proline  
2064 C6H12O2 Methyl pivalate c598981  
2065 C6H12O2 Hexanoic acid hexa  
2066 C4F4 tetrafluorcyclobutadiene c4f4  
2067 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2068 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2069 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2070 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2071 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2072 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2073 C2F6 hexafluoroethane c2f6  
2074 C2Cl6 hexachloroethane c2cl6  
2075 IF7 Iodine heptafluoride if7  
2076 C6H4F2 metadifluorobenzene mdfb  
2077 C6H4F2 orthodifluorobenzene odfb  
2078 C6H4F2 1,4-difluorobenzene pdfb  
2079 C6H4Cl2 1,2-dichlorobenzene dcb12  
2080 C6H4Cl2 1,3-dichlorobenzene dcb13  
2081 C6H4Cl2 1,4-dichlorobenzene dcb14  
2082 C6H5NO nitrosobenzene bzno  
2083 C9H8 Indene indene  
2084 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2085 C9H12 n-propyl benzene prbz  
2086 C9H20 Nonane nonane  
2087 C(CN)4 tetracyanomethane c5n4  
2088 C5H4N4 purine purine  
2089 C8H7N Indole indole  
2090 C3H3N3O3 cyanuric acid cyanuric  
2091 C6H5NO2 Nitrobenzene c6h5no2  
2092 C6H5COOH benzoic acid benzo  
2093 CH3COC6H5 acetophenone acph  
2094 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2095 C3F6 hexafluoropropene c3f6  
2096 C6H3F3 Benzene trifluoride 123 bzf3a  
2097 C8H18O 1-Octanol octanol  
2098 C10H8 Azulene azu  
2099 C10H8 naphthalene naph  
2100 C10H10 bullvalene bullv  
2101 C10H16 adamantane adamantane  
2102 C6N4 Tetracyanoethylene tcne  
2103 C6N4- tetracyanoethylene anion tcne-  
2104 C10H22 Decane decane  
2105 C4F6 perfluorobutadiene c4f6  
2106 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2107 C3F8 perfluoropropane c3f8  
2108 Fe(CO)5 Iron pentacarbonyl ipc  
2109 Fe(C5H5)2 ferrocene fecp2  
2110 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2111 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2112 C12H8 Acenaphthylene acenaph  
2113 C12H8 biphenylene biph  
2114 C12H10 biphenyl biphenyl  
2115 C12H10 Heptalene heptalene  
2116 C6H12O6 Inositol inositol  
2117 C6F6 hexafluorobenzene c6f6  
2118 S2F10 disulphur decafluoride s2f10  
2119 C13H10 Fluorene fluorene  
2120 C14H10 Anthracene anth  
2121 C14H10 Phenanthrene phenanthrene  
2122 C14H14 Bibenzyl bibenzyl  
2123 C12H10N2 azobenzene azobenzene  
2124 C6H5COC6H5 benzophenone benzophenone  
2125 C16H10 Pyrene pyrene  
2126 C18H12 Tetracene tetracene  
2127 C19H16 Triphenylmethane tpm  
2128 C24H12 Coronene coronene  
2129 C60 Buckminsterfullerene c60