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(T) /LANL2DZ

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count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 Li Lithium atom 2SKh
3 Na Sodium atom 2SKh
4 LiH Lithium Hydride 1ΣC∞v
5 Be Beryllium atom 1SKh
6 Be+ Beryllium atom cation 2SKh
7 Mg Magnesium atom 1SKh
8 Mg+ Magnesium atom cation 2SKh
9 B Boron atom 2PKh
10 B Boron atom 4PKh
11 B+ Boron atom cation 1SKh
12 Al Aluminum atom 2PKh
13 Al+ Aluminum atom cation 1SKh
14 C Carbon atom 3P0Kh
15 C Carbon atom 3P1Kh
16 C+ Carbon atom cation 2PKh
17 Si Silicon atom 3PKh
18 Si Silicon atom 1SKh
19 Si+ Silicon atom cation 2PKh
20 CH4 Methane 1A1Td
21 N Nitrogen atom 4SKh
22 N Nitrogen atom 2DKh
23 N+ Nitrogen atom cation 3PKh
24 P Phosphorus atom 4SKh
25 NH3 Ammonia 1A1C3v
26 O Oxygen atom 3SKh
27 O+ Oxygen atom cation 4SKh
28 S Sulfur atom 3PKh
29 OH Hydroxyl radical 2ΠC∞v
30 H2O Water 1A1C2v
31 F Fluorine atom 2PKh
32 F+ Fluorine atom cation 3SKh
33 Cl Chlorine atom 2PKh
34 Cl+ Chlorine atom cation 3PKh
35 I Iodine atom 2PKh
36 HF Hydrogen fluoride 1ΣC∞v
37 HCl Hydrogen chloride 1ΣC∞v
38 Ne Neon atom 1SKh
39 Ne+ Neon atom cation 2PKh
40 Ar Argon atom 1SKh
41 Na2 Sodium diatomic 1ΣgD∞h
42 C2H2 Acetylene 1ΣgD∞h
43 C2H4 Ethylene 1AgD2h
44 C2H6 Ethane 1A1gD3d
45 N2 Nitrogen diatomic 1ΣgD∞h
46 CO Carbon monoxide 1ΣC∞v
47 NO Nitric oxide 2ΠC∞v
48 O2 Oxygen diatomic 3ΣgD∞h
49 H2CO Formaldehyde 1A1C2v
50 BF Boron monofluoride 1ΣC∞v
51 F2 Fluorine diatomic 1ΣgD∞h
52 Cl2 Chlorine diatomic 1ΣgD∞h
53 IF Iodine monofluoride 1ΣC∞v
54 ICl Iodine monochloride 1ΣC∞v
55 IBr Iodine monobromide 1ΣC∞v
56 C3H5 Allyl radical 2A2C2v
57 C3H6 Cyclopropane 1A1'D3h
58 CH2CHCH3 Propene 1A'Cs
59 CO2 Carbon dioxide 1ΣgD∞h
60 SO2 Sulfur dioxide 1A1C2v
61 BF3 Borane, trifluoro- 1A'D3h
62 AlF3 Aluminum trifluoride 1A1'D3h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He Helium atom he  
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 k  
23 K- Potassium atom anion k-  
24 K+ Potassium atom cation k+  
25 Cu Copper atom cu  
26 Cu- Copper atom anion cu-  
27 Cu+ Copper atom cation cu+  
28 LiH- lithium hydride anion lih-  
29 LiH+ lithium hydride cation lih+  
30 NaH sodium hydride nah  
31 NaH- sodium hydride anion nah-  
32 NaH+ sodium hydride cation nah+  
33 KH Potassium hydride kh  
34 KH+ Potassium hydrogen cation kh+  
35 CuH Copper monohydride cuh  
36 Be- Beryllium atom anion be-  
37 Mg- Magnesium atom anion mg-  
38 Ca Calcium atom ca  
39 Ca- Calcium atom anion ca-  
40 Ca+ Calcium atom cation ca+  
41 Zn Zinc atom zn  
42 Zn- Zinc atom anion zn-  
43 Zn+ Zinc atom cation zn+  
44 BeH beryllium monohydride beh  
45 BeH- berylium monohydride anion beh-  
46 BeH+ beryllium monohydride cation beh+  
47 MgH magnesium monohydride mgh  
48 MgH- magnesium monohydride anion mgh-  
49 MgH+ magnesium monohydride cation mgh+  
50 CaH Calcium monohydride cah  
51 CaH+ Calcium monohydride cation cah+  
52 TiH Titanium monohydride tih  
53 ZnH Zinc monohydride znh  
54 ZnH+ Zinc, protonated znh+  
55 BeH2 beryllium dihydride beh2  
56 BeH2+ Beryllium dihydride cation beh2+  
57 MgH2 magnesium dihydride mgh2  
58 CaH2 Calcium Hydride cah2  
59 ZnH2 Zinc hydride znh2  
60 B- Boron atom anion 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 S- Sulfur atom anion s-  
182 S+ Sulfur atom cation s+  
183 Cr Chromium atom cr  
184 Se Selenium atom se  
185 Se- Selenium atom anion se-  
186 Se+ Selenium atom cation se+  
187 Te Tellurium atom te  
188 Te+ Tellurium atom cation te+  
189 DO Hydroxyl-d od  
190 OH- hydroxide anion oh-  
191 OH+ hydoxyl cation oh+  
192 DS Mercapto-d ds  
193 HS Mercapto radical hs  
194 HS- mercapto anion sh-  
195 HS+ sulfur monohydride cation sh+  
196 CrH Chromium hydride crh  
197 CrH+ Chromium hydride cation crh+  
198 HSe Selenium monohydride hse  
199 HSe- selenium monohydride anion hse-  
200 HSe+ selenium monohydride cation hse+  
201 TeH Telluryl radical teh  
202 D2O Deuterium oxide d2o  
203 H2O- water anion h2o-  
204 H2O+ water cation h2o+  
205 HDO Water-d1 hdo  
206 D2S Hydrogen sulfide-d2 d2s  
207 H2S Hydrogen sulfide h2s  
208 H2S- Hydrogen sulfide anion h2s-  
209 H2S+ Hydrogen sulfide cation h2s+  
210 H2Se Hydrogen selenide h2se  
211 H2Se+ Hydrogen selenide cation h2se+  
212 H2Te Hydrogen Telluride h2te  
213 H3O+ hydronium cation h3o+  
214 H3S+ Sulfonium cation h3s+  
215 H3Se+ Hydrogen Selenide, protonated h3se+  
216 F- Fluorine atom anion f-  
217 Cl- Chlorine atom anion cl-  
218 Mn Manganese atom mn  
219 Br Bromine atom br  
220 Br- Bromine atom anion br-  
221 Br+ Bromine atom cation br+  
222 I- Iodine atom anion iodine-  
223 I+ Iodine atom cation iodine+  
224 DF Hydrofluoric acid-d df  
225 HF- hydrogen fluoride anion hf-  
226 HF+ hydrogen fluoride cation hf+  
227 DCl Hydrochloric acid-d dcl  
228 HCl- hydrogen chloride anion hcl-  
229 HCl+ hydrogen chloride cation hcl+  
230 HBr hydrogen bromide hbr  
231 HBr- hydrogen bromide anion hbr-  
232 HBr+ hydrogen bromide cation hbr+  
233 HI Hydrogen iodide hi  
234 HI+ Hydrogen iodide cation hi+  
235 H2F+ dihydrogen fluoride cation h2f+  
236 H2Cl+ dihydrogen monochloride cation h2cl+  
237 H2Br+ protonated hydrogen bromide h2br+  
238 H2I+ Iodonium h2i+  
239 Ne- Neon atom anion ne-  
240 Ar- Argon atom anion ar-  
241 Ar+ Argon atom cation ar+  
242 Fe Iron atom fe  
243 Kr Krypton atom kr  
244 Kr+ Krypton cation kr+  
245 Xe Xenon atom xe  
246 HeLi+ Helium Lithium cation heli+  
247 NeH neon hydrogen neh  
248 NeH+ neon hydrogen cation neh+  
249 ArH+ Argon hydride cation arh+  
250 KrH+ Protonated Krypton krh+  
251 XeH+ Xenon, protonated xeh+  
252 H2Ar H2 Ar dimer h2ar  
253 Co Cobalt atom cobalt  
254 Ni Nickel atom ni  
255 Li2 Lithium diatomic li2  
256 Li2- lithium diatomic anion li2-  
257 Li2+ lithium diatomic cation li2+  
258 NaLi lithium sodium lina  
259 NaLi- lithium sodium anion lina-  
260 NaLi+ lithium sodium cation lina+  
261 LiK Lithium Potassium lik  
262 Na2- sodium diatomic anion na2-  
263 Na2+ sodium diatomic cation na2+  
264 NaK Sodium Potassium nak  
265 NaK+ Sodium Potassium diatomic cation nak+  
266 K2 Potassium diatomic k2  
267 Cu2 Copper diatomic cu2  
268 LiBe Lithium Beryllium libe  
269 LiMg Lithium magnesium limg  
270 NaBe Sodium Beryllium nabe  
271 NaMg Sodium Magnesium namg  
272 Be2 Beryllium diatomic be2  
273 Be2- Beryllium diatomic anion be2-  
274 Be2+ Beryllium diatomic cation be2+  
275 BeMg Beryllium Magnesium bemg  
276 Mg2 Magnesium diatomic mg2  
277 Mg2- magnesium diatomic anion mg2-  
278 Mg2+ magnesium diatomic cation mg2+  
279 Ca2 Calcium diatomic ca2  
280 LiB Lithium boride lib  
281 LiAl Lithium Aluminum lial  
282 NaAl Sodium aluminum naal  
283 BeB Beryllium monoboride beb  
284 B2 Boron diatomic b2  
285 B2- Boron diatomic anion b2-  
286 B2+ Boron diatomic cation b2+  
287 BAl Boron Aluminum bal  
288 Al2 Aluminum diatomic al2  
289 Al2- aluminum diatomic anion al2-  
290 Al2+ aluminum diatomic cation al2+  
291 BGa Boron Gallium bga  
292 AlGa Aluminum Gallium alga  
293 Ga2 Gallium diatomic ga2  
294 HBBH Diborane(2) hbbh  
295 LiBH4 Lithium borohydride libh4  
296 B2H4 Diborane(4) D2d b2h4  
297 HBHHBH Diborane(4) C2V hbhhbh  
298 B2H6 Diborane b2h6  
299 B2H6+ Diborane cation b2h6  
300 Al2H6 dialane al2h6  
301 Ga2H6 digallane ga2h6  
302 LiC Lithium Carbide lic  
303 BeC Beryllium Carbide bec  
304 CaC Calcium monocarbide cac  
305 BC boron monocarbide bc  
306 BC- boron monocarbide anion bc-  
307 BC+ boron monocarbide cation bc+  
308 AlC Aluminum carbide alc  
309 BSi Boron silicide bsi  
310 C2 Carbon diatomic c2  
311 C2- carbon diatomic anion c2-  
312 C2+ carbon diatomic cation c2+  
313 SiC silicon monocarbide sic  
314 SiC- silicon monocarbide anion sic-  
315 SiC+ silicon monocarbide cation sic+  
316 Si2 Silicon diatomic si2  
317 Si2- silcon diatomic anion si2-  
318 Si2+ silcon diatomic cation si2+  
319 GeC Germanium monocarbide gec  
320 SiGe Silicon Germanium sige  
321 Ge2 Germanium diatomic ge2  
322 C2H Ethynyl radical c2h  
323 C2H- Ethynyl anion c2h-  
324 C2H+ Ethynyl cation c2h+  
325 ZnCH2 Zinc methylene znch2  
326 C2H2+ acetylene cation c2h2+  
327 CCH2 vinylidene vinylidene  
328 H2CC- vinylidene anion h2cc-  
329 HCCH- acetylene anion c2h2-  
330 Si2H2 disilyne si2h2  
331 CH3Li methyl lithium ch3li  
332 CuCH3 monomethyl copper cuch3  
333 ZnCH3 Zinc monomethyl znch3  
334 CH2BH methyleneborane ch2bh  
335 C2H3 vinyl c2h3  
336 C2H3- vinyl anion c2h3-  
337 C2H3+ vinyl cation c2h3+  
338 C2H4- Ethylene anion c2h4-  
339 C2H4+ Ethylene cation c2h4+  
340 CH3CH methylmethylene ch3ch  
341 CH2SiH2 silaethylene ch2sih2  
342 Si2H4 Disilene si2h4  
343 CH3BH2 methylborane ch3bh2  
344 C2H5 Ethyl radical c2h5  
345 C2H5- Ethyl anion c2h5-  
346 C2H5+ Ethyl cation c2h5+  
347 C2H6+ ethane cation c2h6+  
348 CH3SiH3 methyl silane ch3sih3  
349 Si2H6 disilane si2h6  
350 GeH3CH3 methyl germane geh3ch3  
351 C2H7+ Ethane, protonated c2h7+  
352 LiN Lithium Nitride lin  
353 LiN+ Lithium Nitride cation lin+  
354 LiP Lithium monophosphide lip  
355 BeN Beryllium mononitride ben  
356 BeN- Beryllium mononitride anion ben-  
357 BeN+ Beryllium mononitride cation ben+  
358 MgN Magnesium Nitride mgn  
359 BN- boron nitride anion bn-  
360 AlN- aluminum mononitride anion aln-  
361 AlN+ aluminum mononitride cation aln+  
362 BP Boron monophosphide bp  
363 AlP Aluminum monophosphide alp  
364 GaN Gallium mononitride gan  
365 GaP Gallium monophosphide gap  
366 GaAs Gallium arsenide gaas  
367 BN boron nitride bn  
368 BN+ boron nitride cation bn+  
369 AlN Aluminum nitride aln  
370 CN Cyano radical cn  
371 CN- cyanide anion cn-  
372 CN+ Cyano cation cn+  
373 CP Carbon monophosphide cp  
374 CP- carbon monophosphide anion cp-  
375 CP+ carbon monophosphide cation cp+  
376 SiN Silicon nitride sin  
377 SiN- silicon mononitride anion sin-  
378 SiN+ silicon mononitride cation sin+  
379 SiP Silicon monophosphide sip  
380 SiP- Silicon monophosphide anion sip-  
381 SiP+ Silicon monophosphide cation sip+  
382 TiN Titanium mononitride tin  
383 N2- nitrogen diatomic anion n2-  
384 N2+ diatomic nitrogen cation n2+  
385 PN Phosphorus mononitride pn  
386 PN- phosphorus nitride anion pn-  
387 PN+ phosphorus nitride cation pn+  
388 P2 Phosphorus diatomic p2  
389 P2- phosphorus diatomic anion p2-  
390 P2+ phosphorus diatomic cation p2+  
391 AsN Arsenic mononitride asn  
392 AsP Arsenic monophosphide asp  
393 SbN Antimony nitride sbn  
394 As2 Arsenic diatomic as2  
395 HNB hydrogen nitrogen boron hnb  
396 HNC hydrogen isocyanide hnc  
397 HCN Hydrogen cyanide hcn  
398 HCN- Hydrogen cyanide anion hcn-  
399 HCN+ hydrogen cyanide cation hcn+  
400 HNC+ hydrogen isocyanide cation hnc+  
401 HCP Phosphaethyne hcp  
402 HCP+ Phosphaethyne cation hcp+  
403 NNH Dinitrogen monohydride nnh  
404 NNH+ Dinitrogen monohydride cation nnh+  
405 HPO Hydrogen phosphorus oxide hpo  
406 HPO+ Hydrogen phosphorus oxide cation hpo+  
407 LiNH2 lithium amide linh2  
408 HBNH Boranimine hbnh  
409 CNH2 Aminomethylidyne radical cnh2  
410 CNH2+ N-protonated hydrogen isocyanide cnh2+  
411 H2CN Dihydrogen cyanide radical h2cn  
412 H2CN+ hydrocyanonium cation h2cn+  
413 HCNH methyleneazane hcnh  
414 HCNH+ N-protonated HCN hcnh+  
415 H2NN Isodiazene h2nn  
416 N2H2 (E)-diazene n2h2  
417 N2H2 (Z)-Diazene n2h2z  
418 N2H2+ trans-diazene cation n2h2+  
419 CH2NH Methanimine ch3n  
420 CH2NH+ Methanimine cation ch2nh+  
421 CHNH2 aminomethylene chnh2  
422 CHNH2+ Aminocarbene cation chnh2+  
423 CH2PH Phosphaethene ch3p  
424 BH2NH2 Boranamine bh2nh2  
425 CH2NH2+ methyleneamine cation ch2nh2+  
426 N2H4 Hydrazine n2h4  
427 N2H4+ hydrazine cation n2h4+  
428 P2H4 Diphosphine p2h4  
429 CH3NH2 methyl amine ch3nh2  
430 CH3NH2+ methyl amine cation ch3nh2+  
431 CH3PH2 Methyl phosphine ch3ph2  
432 SiH3NH2 Silane, amino sih3nh2  
433 N2H5+ protonated hydrazine n2h5+  
434 BH3PH3 borane phosphine bh3ph3  
435 BH3NH3 borane ammonia bh3nh3  
436 CH3NH3 methyl ammonium radical ch3nh3  
437 CH3NH3+ protonated methylamine ch3nh3+  
438 CH3PH3+ methyl phosphine, protonated ch3ph3+  
439 NH3NH3 Ammonia Dimer nh3nh3  
440 N2H7+ ammonia ammonium dimer n2h7+  
441 LiO lithium oxide lio  
442 LiO- lithium oxide anion lio-  
443 LiO+ lithium oxide cation lio+  
444 LiS Lithium monosulfide lis  
445 LiS+ Lithium sulfide cation lis+  
446 NaO sodium monoxide nao  
447 NaO- sodium oxide anion nao-  
448 NaO+ sodium oxide cation nao+  
449 KO Potassium monoxide ko  
450 KO+ Potassium monoxide cation ko+  
451 NaS Sodium sulfide nas  
452 CuO Copper Monoxide cuo  
453 LiSe Lithium monoselenide lise  
454 BeO beryllium oxide beo  
455 BeO- Beryllium monoxide anion beo-  
456 BeO+ Beryllium monoxide cation beo+  
457 BeS beryllium sulfide bes  
458 MgO magnesium oxide mgo  
459 MgO- magnesium oxide anion mgo-  
460 MgO+ magnesium oxide cation mgo+  
461 CaO Calcium monoxide cao  
462 MgS magnesium sulfide mgs  
463 MgS- magnesium sulfide anion mgs-  
464 MgS+ magnesium sulfide cation mgs+  
465 CaS Calcium sulfide cas  
466 ZnO zinc monoxide zno  
467 ZnS Zinc sulfide zns  
468 BeS- Beryllium monosulfide anion bes-  
469 BeS+ Beryllium monosulfide cation bes+  
470 BO boron monoxide bo  
471 BO- boron monoxide anion bo-  
472 AlO Aluminum monoxide alo  
473 AlO- Aluminum monoxide anion alo-  
474 AlO+ aluminum monoxide cation alo+  
475 BS boron sulfide bs  
476 BS- boron monosulfide anion bs-  
477 BS+ boron monosulfide cation bs+  
478 AlS Aluminum sulfide als  
479 AlS- aluminum monosulfide anion als-  
480 AlS+ aluminum monosulfide cation als+  
481 ScO Scandium monoxide sco  
482 GaO Gallium monoxide gao  
483 GaS Gallium monosulfide gas  
484 BO+ boron monoxide cation bo+  
485 CO- carbon monoxide anion co-  
486 CO+ carbon monoxide cation co+  
487 CS carbon monosulfide cs  
488 CS- carbon monosulfide anion cs-  
489 CS+ carbon monosulfide cation cs+  
490 SiO Silicon monoxide sio  
491 SiO- silicon monoxide anion sio-  
492 SiO+ silicon monoxide cation sio+  
493 SiS silicon monosulfide sis  
494 SiS- silicon monosulfide anion sis-  
495 SiS+ silicon monosulfide cation sis+  
496 TiO Titanium monoxide tio  
497 CSe Carbon monoselenide cse  
498 CSe- Carbon monoselenide anion cse-  
499 CSe+ Carbon monoselenide cation cse+  
500 GeO Germanium monoxide geo  
501 GeO+ Germanium monoxide cation geo+  
502 GeS Germanium monosulfide ges  
503 SiSe Silicon Monoselenide sise  
504 SiSe+ Silicon Monoselenide cation sise+  
505 GeSe Germanium monoselenide gese  
506 NO- nitric oxide anion no-  
507 NO+ nitric oxide cation no+  
508 NS Mononitrogen monosulfide ns  
509 NS- nitrogen sulfide anion ns-  
510 NS+ nitrogen sulfide cation ns+  
511 PO Phosphorus monoxide po  
512 PO- phosphorus monoxide anion po-  
513 PO+ phosphorus monoxide cation po+  
514 PS phosphorus sulfide ps  
515 PS- phosphorus monosulfide anion ps-  
516 PS+ phosphorus monosulfide cation ps+  
517 VO Vanadium monoxide vo  
518 AsO Arsenic monoxide aso  
519 NSe Nitrogen monoselenide nse  
520 AsS Arsenic monosulfide ass  
521 PSe Phosphorus monoselenide pse  
522 AsSe Arsenic monoselenide asse  
523 O2- oxygen diatomic anion o2-  
524 O2-- dioxygen dianion o2--  
525 O2+ diatomic oxygen cation o2+  
526 SO Sulfur monoxide so  
527 SO- sulfur monoxide anion so-  
528 SO+ sulfur monoxide cation so+  
529 S2 Sulfur diatomic s2  
530 S2- sulfur diatomic anion s2-  
531 S2+ sulfur diatomic cation s2+  
532 SeO Selenium monoxide seo  
533 SeO- selenium monoxide anion seo-  
534 SeO+ selenium monoxide cation seo+  
535 SeS Selenium monosulfide ses  
536 SeS- selenium monosulfide anion ses-  
537 SeS+ selenium monosulfide cation ses+  
538 TeO Tellurium monoxide teo  
539 Se2 Selenium diatomic se2  
540 Se2- selenium diatomic anion se2-  
541 Se2+ selenium diatomic cation se2+  
542 Te2 Tellurium diatomic te2  
543 LiOH lithium hydroxide lioh  
544 NaOH sodium hydroxide naoh  
545 KOH Potassium hydroxide koh  
546 BeOH beryllium monohydroxide beoh  
547 MgOH magnesium hydroxide mgoh  
548 CaOH Calcium monohydroxide caoh  
549 HBO Boron hydride oxide hbo  
550 HBS hydrogen boron sulfide hbs  
551 COH Hydroxymethylidyne coh  
552 COH+ Carbon Monoxide, protonated coh+  
553 HCO Formyl radical hco  
554 HCO- formyl anion hco-  
555 HCO+ Formyl cation hco+  
556 HCS Thioformyl radical hcs  
557 HCS- Thioformyl anion hcs-  
558 HCS+ Thioformyl cation hcs+  
559 HNO Nitrosyl hydride hno  
560 HNO- Nitrosyl hydride anion hno-  
561 HNO+ Nitrosyl hydride cation hno+  
562 NOH Hydroxyimidogen noh  
563 NOH+ O-protonated nitric oxide noh+  
564 HNS Sulfur imide hns  
565 HNS- Sulfur imide anion hns-  
566 HO2 Hydroperoxy radical ho2  
567 HO2- Hydroperoxy anion ho2-  
568 HO2+ Hydroperoxy cation ho2+  
569 HSO+ Sulfur Monoxide, S-protonated HSO+  
570 SOH Sulfur Hydroxide soh  
571 SOH+ Sulfur Monoxide, protonated soh+  
572 HS2 Thiosulfeno radical hs2  
573 H2CO- formaldehyde anion h2co-  
574 H2CO+ formaldehyde cation h2co+  
575 HOCH hydroxycarbene hoch  
576 H2CS Thioformaldehyde h2cs  
577 H2CS- thioformaldehyde anion h2cs-  
578 H2CS+ thioformaldehyde cation h2cs+  
579 H2CSe Selenoformaldehyde h2cse  
580 H2NO nitroxide h2no  
581 H2O2 Hydrogen peroxide h2o2  
582 H2O2+ Hydrogen peroxide cation h2o2+  
583 H2OO water oxide h2oo  
584 HOSH hydrogen thioperoxide hosh  
585 H2S2 Disulfane h2s2  
586 H2S2+ hydrogen disulfide cation h2s2+  
587 H2Se2 hydrogen diselenide h2se2  
588 CH2OH Hydroxymethyl radical ch2oh  
589 CH2OH+ hydroxymethyl cation ch2oh+  
590 CH3O Methoxy radical ch3o  
591 CH3O- methoxy anion ch3o-  
592 CH3O+ Methoxy cation ch3o+  
593 CH3S thiomethoxy ch3s  
594 H2CSH+ Thioformaldehyde, protonated h2csh+  
595 NH2OH hydroxylamine nh2oh  
596 NH2OH+ Hydroxylamine cation nh2oh+  
597 NH3O Ammonia Oxide nh3o  
598 H2POH Phosphinous acid h2poh  
599 H3PO Phosphine oxide h3po  
600 NH2SH Thiohydroxylamine nh2sh  
601 NH3S sulfidoazane nh3s  
602 H3O2+ hydrogen peroxide, protonated h3o2+  
603 CH3OH Methyl alcohol ch3oh  
604 CH3OH- Methyl alcohol anion ch3oh-  
605 CH3OH+ Methyl alcohol cation ch3oh+  
606 CH3SH Methanethiol ch3sh  
607 CH3SH+ Methanethiol cation ch3sh+  
608 SiH3OH silanol sih3oh  
609 CH3SeH Methane selenol ch3seh  
610 NH2OH2+ protonated hydroxylamine nh2oh2+  
611 NH3OH+ N-protonated hydroxylamine nh3oh+  
612 H2OH2O water dimer h2oh2o  
613 CH3OH2+ Methanol, protonated ch3oh2+  
614 CH3SH2+ protonated methylsulfide ch3sh2+  
615 H2ONH3 Water Ammonia Dimer h2onh3  
616 H5O2+ Dihydroxonium ion h5o2+  
617 LiF lithium fluoride lif  
618 LiCl lithium chloride licl  
619 LiCl- lithium chloride anion licl-  
620 LiCl+ lithium chloride cation licl+  
621 NaF sodium fluoride naf  
622 NaF- sodium fluoride anion naf-  
623 NaF+ sodium fluoride cation naf+  
624 KF Potassium Fluoride kf  
625 NaCl Sodium Chloride nacl  
626 NaCl- sodium chloride anion nacl-  
627 NaCl+ sodium chloride cation nacl+  
628 KCl Potassium Chloride kcl  
629 CuF Copper monofluoride cuf  
630 LiBr Lithium Bromide libr  
631 LiBr- lithium bromide anion libr-  
632 LiBr+ lithium bromide cation libr+  
633 CuCl Copper monochloride cucl  
634 NaBr Sodium Bromide nabr  
635 NaBr- sodium bromide anion nabr-  
636 NaBr+ sodium bromide cation nabr+  
637 KBr Potassium Bromide kbr  
638 LiI Lithium Iodide lii  
639 NaI Sodium Iodide nai  
640 KI Potassium Iodide ki  
641 LiF- lithium fluoride anion lif-  
642 LiF+ lithium fluoride cation lif+  
643 BeF Beryllium monofluoride bef  
644 BeF- Beryllium monofluoride anion bef-  
645 BeF+ Beryllium monofluoride cation bef+  
646 BeCl beryllium monochloride becl  
647 MgF Magnesium monofluoride mgf  
648 MgF- magnesium fluoride anion mgf-  
649 MgF+ magnesium fluoride cation mgf+  
650 CaF Calcium monofluoride caf  
651 MgCl magnesium monochloride mgcl  
652 MgCl- magnesium monochloride anion mgcl-  
653 MgCl+ magnesium monochloride cation mgcl+  
654 CaCl calcium monochloride cacl  
655 TiCl Titanium Monochloride ticl  
656 ZnF Zinc monofluoride znf  
657 ZnF- Zinc monofluoride anion znf-  
658 ZnF+ Zinc monofluoride cation znf+  
659 ZnCl Zinc monochloride zncl  
660 CaBr Calcium monobromide cabr  
661 BeCl- beryllium monochloride anion becl-  
662 BeCl+ beryllium monochloride cation becl+  
663 BF- Boron monofluoride anion bf-  
664 BF+ Boron monofluoride cation bf+  
665 AlF Aluminum monofluoride alf  
666 AlF- Aluminum monofluoride anion alf-  
667 AlF+ Aluminum monofluoride cation alf+  
668 BCl boron monochloride bcl  
669 BCl- boron monochloride anion bcl-  
670 BCl+ boron monochloride cation bcl+  
671 AlCl Aluminum monochloride alcl  
672 AlCl- aluminum monochloride anion alcl-  
673 AlCl+ aluminum monochloride cation alcl+  
674 ScF Scandium monofluoride scf  
675 BBr Boron monobromide bbr  
676 GaF Gallium monofluoride gaf  
677 GaF+ Gallium monofluoride cation gaf+  
678 AlBr Aluminum monobromide albr  
679 GaCl Gallium monochloride gacl  
680 GaCl+ Gallium monochloride cation gacl+  
681 AlI Aluminum monoiodide ali  
682 GaBr Gallium monobromide gabr  
683 CF Fluoromethylidyne cf  
684 CF- carbon monofluoride anion cf-  
685 CF+ carbon monofluoride cation cf+  
686 CCl carbon monochloride ccl  
687 CCl- carbon monochloride anion ccl-  
688 CCl+ carbon monochloride cation ccl+  
689 SiF silicon monofluoride sif  
690 SiF- silicon monofluoride anion sif-  
691 SiF+ silicon monofluoride cation sif+  
692 SiCl Clorosilylidyne sicl  
693 SiCl- silicon monochloride anion sicl-  
694 SiCl+ silicon monochloride cation sicl+  
695 CBr Carbon monobromide cbr  
696 GeF Germanium monofluoride gef  
697 GeF+ Germanium monofluoride cation gef+  
698 GeCl Germanium monochloride gecl  
699 GeCl+ Germanium monochloride cation gecl+  
700 SiBr Silicon monobromide sibr  
701 SiBr+ Silicon monobromide cation sibr+  
702 NF nitrogen fluoride nf  
703 NF- nitrogen monofluorine anion nf-  
704 NF+ nitrogen monofluoirde cation nf+  
705 NCl nitrogen monochloride ncl  
706 NCl- nitrogen monochloride anion ncl-  
707 NCl+ nitrogen monochloride cation ncl+  
708 PF phosphorus monofluoride pf  
709 PF- phosphorus monofluoride anion pf-  
710 PF+ phosphorus monofluoride cation pf+  
711 PCl phosphorus chloride pcl  
712 PCl- phosphorus monochloride anion pcl-  
713 PCl+ phosphorus monochloride cation pcl+  
714 AsF Arsenic monofluoride asf  
715 NBr nitrogen monobromide nbr  
716 AsCl Arsenic monochloride ascl  
717 PBr Phosphorus monobromide pbr  
718 SbF Antimony monofluoride sbf  
719 SbCl Antimony monochloride sbcl  
720 FO Oxygen monofluoride fo  
721 FO- flourine oxide anion fo-  
722 FO+ fluorine monoxide cation fo+  
723 ClO Monochlorine monoxide clo  
724 ClO- chlorine monoxide anion clo-  
725 ClO+ chlorine monoxide cation clo+  
726 SF Monosulfur monofluoride sf  
727 SF- sulfur monofluoride anion sf-  
728 SF+ sulfur monofluoride cation sf+  
729 SCl sulfur monochloride scl  
730 SCl- sulfur monochloride anion scl-  
731 SCl+ sulfur monochloride cation scl+  
732 BrO Bromine monoxide bro  
733 BrO- Bromine monoxide anion bro-  
734 BrO+ Bromine monoxide cation bro+  
735 SeF Selenium monofluoride sef  
736 SBr Sulfur monobromide radical sbr  
737 SBr+ Sulfur monobromide cation sbr+  
738 SeCl Selenium monochloride secl  
739 IO Iodine monoxide io  
740 SeBr Selenium monobromide sebr  
741 BrCl Bromine monochloride brcl  
742 F2- flourine diatomic anion f2-  
743 F2+ flourine diatomic cation f2+  
744 ClF Chlorine monofluoride clf  
745 ClF- clorine monofluoride anion clf-  
746 ClF+ clorine monofluoride cation clf+  
747 Cl2- chlorine diatomic anion cl2-  
748 Cl2+ chlorine diatomic cation cl2+  
749 BrF Bromine monofluoride brf  
750 BrF- bromine fluoride anion brf-  
751 BrF+ bromine fluoride cation brf+  
752 BrCl- bromine chloride anion brcl-  
753 BrCl+ bromine chloride cation brcl+  
754 Br2 Bromine diatomic br2  
755 Br2- bromine diatomic anion br2-  
756 Br2+ bromine diatomic cation br2+  
757 I2 Iodine diatomic i2  
758 I2+ Iodine diatomic cation i2+  
759 HCF Fluoromethylene hcf  
760 HCCl Chloromethylene hccl  
761 HSiF fluorosilylene hsif  
762 HSiCl Chlorosilylene hsicl  
763 HSiBr monobromosilylene hsibr  
764 CHBr bromomethylene chbr  
765 HOF Hypofluorous acid hfo  
766 DOCl Hypochlorous acid-d docl  
767 HOCl hypochlorous acid hocl  
768 HOCl+ hypochlorous acid cation hocl+  
769 HOBr Hypobromous acid hobr  
770 HOBr+ Hypobromous acid cation hobr+  
771 HOI Hypoiodous acid hoi  
772 F2H+ Fluorine, protonated f2h+  
773 FHF Hydrogen difluoride fhf  
774 FHF- Hydrogen difluoride anion fhf-  
775 ClFH+ Chlorine fluoride, F-protonated clfh+  
776 FClH+ Chlorine fluoride, Cl-protonated fclh+  
777 Cl2H+ Chlorine, protonated cl2h+  
778 CH2Br bromomethyl radical ch2br  
779 CH2F fluoromethyl radical ch2f  
780 CH2F+ fluoromethyl cation ch2f+  
781 CH2Cl+ chloromethyl cation ch2cl+  
782 CH2Cl chloromethyl radical ch2cl  
783 NH2F monofluoroamine nh2f  
784 NH2Cl chloramine nh2cl  
785 H2F2 Hydrogen fluoride dimer h2f2  
786 CH3F+ methyl fluoride cation ch3f+  
787 CD3F methylfluoride-d3 cd3f  
788 CH3F Methyl fluoride ch3f  
789 CD3Cl methyl chloride d3 cd3cl  
790 CH3Cl Methyl chloride ch3cl  
791 CH3Cl+ Methyl chloride cation ch3cl+  
792 SiH3F monofluorosilane sih3f  
793 SiH3Cl chlorosilane sih3cl  
794 CH3Br methyl bromide ch3br  
795 GeH3F monofluorogermane geh3f  
796 GeH3Cl monochlorogermane geh3cl  
797 SiH3Br bromosilane sih3br  
798 CH3I methyl iodide ch3i  
799 SiH3I Silyl Iodide sih3i  
800 NH3Cl+ protonated monochloroammonia nh3cl+  
801 CH3ClH+ methyl chloride, protonated ch3clh+  
802 NH4Cl Ammonium chloride nh4cl  
803 LiNe+ Lithium Neon cation line+  
804 Ne2 Neon diatomic ne2  
805 Ne2+ Neon diatomic cation ne2+  
806 Ar2 Argon diatomic ar2  
807 Ar2+ Argon diatomic cation ar2+  
808 Li3 Lithium trimer li3  
809 Li3+ Lithium trimer cation li3+  
810 C3 carbon trimer c3  
811 C3+ carbon trimer cation c3+  
812 SiC2 Silicon dicarbide sic2  
813 C3H3 cyclopropenyl radical cpr  
814 C3H3 Propargyl radical propargyl  
815 C3H3- Propargyl anion c3h3-  
816 C3H3+ cyclopropenyl cation cpr+  
817 C3H3+ Propargyl cation c3h3+  
818 C3H4 cyclopropene cprop  
819 CH2CCH2 allene allene  
820 CH3CCH propyne propyne  
821 C3H5+ Allyl cation allyl+  
822 CH3CHCH 1-propenyl radical ch3chch  
823 Zn(CH3)2 dimethyl zinc dmz  
824 C3H7 n-Propyl radical npropyl  
825 C3H7+ cyclopropane, protonated c3h7+  
826 CH3CHCH3 Isopropyl radical isopropyl  
827 CH3CHCH3+ Isopropyl cation prop2yl+  
828 C3H8 Propane propane  
829 SiH2(CH3)2 dimethylsilane dms  
830 Si3H8 trisilane si3h8  
831 LiCN lithium cyanide licn  
832 NaCN Sodium Cyanide nacn  
833 KCN Potassium cyanide kcn  
834 CuCN Copper cyanide cucn  
835 ZnCN Zinc monocyanide zncn  
836 ZnNC Zinc isocyanide znnc  
837 AlCN Aluminum monocyanide alcn  
838 AlNC Aluminum isocyanide alnc  
839 CN2 3H-Diazirin-3-ylidene cn2  
840 CNN Diazocarbene cnn  
841 NCN Cyanoimidogen ncn  
842 N3 azide radical n3  
843 N3- azide anion n3-  
844 N3+ azide cation n3+  
845 HCCN cyanomethylene hccn  
846 HCNN diazomethyl radical hcnn  
847 HN3 hydrogen azide hn3  
848 HN3+ Hydrazoic acid cation hn3+  
849 HNCNH diiminomethane hncnh  
850 CH2N2 diazirine ch2n2  
851 CH2NN diazomethane ch2nn  
852 NH2CN cyanamide cyanamide  
853 HNNNH+ 1,2-Triazadienium n2h3+  
854 NH2NN+ hydrazoic acid, protonated nh2nn+  
855 CH3CN Acetonitrile ch3cn  
856 CH3CN- acetonitrile anion ch3cn-  
857 CH3CN+ Acetonitrile cation ch3cn+  
858 CH3NC methyl isocyanide ch3nc  
859 CHNCH2 2H-Azirine c157164  
860 CHNHCH 1H-Azirine chnhch  
861 H2CCNH Ethenimine ch2cnh  
862 H2CNCH methyleneaminomethylene ch2nch  
863 HCCNH2 Ethynamine hccnh2  
864 HCNCH2+ 2H-Azirine cation hcnch2+  
865 HNCNH2+ diiminomethane, protonated hncnh2+  
866 NCNH3+ Cyanamide, protonated ncnh3+  
867 NH2CNH+ cyanamide, cn protonated nh2cnh+  
868 NH3CN+ cyanamide, amine protonated nh3cn+  
869 CH2CHNH vinylazine ch2chnh  
870 CH3CHN methylmethaniminyl radical ch3chn  
871 NHCHNH2 aminomethanimine cn2h4  
872 C2H5N Aziridine c2h5n  
873 CH2CHNH2 aminoethene aminoethene  
874 CH2NCH3 N-methylmethanimine nmm  
875 CH3CHNH ethanimine ethanimine  
876 NH2BHNH2 diaminoborane nh2bhnh2  
877 C2H5NH+ Protonated Aziridine c2h5nh+  
878 C2H6N+ aziridine, protonated c2h6n+  
879 NH2CH2NH2 diaminomethane nh2ch2nh2  
880 CH3CH2NH2 Ethylamine etam  
881 CH3NHCH3 Dimethylamine ch3nhch3  
882 CH3PHCH3 dimethylphosphine ch3phch3  
883 NH2CH2NH3+ diaminoethane, protonated pdam  
884 (CH3)2NH2+ dimethylammonium cation dmam  
885 CH3CH2NH3+ ethylamine, protonated pea  
886 Li2O dilithium oxide li2o  
887 Li2O+ dilithium oxide cation li2o+  
888 Li2S dilithium sulfide li2s  
889 Na2O disodium monoxide na2o  
890 Na2S Sodium sulfide na2s  
891 LiO2 Lithium dioxide lio2  
892 NaO2 Sodium superoxide nao2  
893 CCO Dicarbon monoxide cco  
894 CNO- fulminate cno-  
895 NCO isocyanato radical nco  
896 NCO- cyanate nco-  
897 SCN thiocyanato radical scn  
898 SCN- thiocyanide anion scn-  
899 BO2 Boron dioxide bo2  
900 BO2- Boron dioxide anion bo2-  
901 BO2+ Boron dioxide cation bo2+  
902 N2O Nitrous oxide n2o  
903 N2O- Nitrous oxide anion n2o-  
904 N2O+ Nitrous oxide cation n2o+  
905 NNS Nitrogen sulfide nns  
906 PPO Phosphorus oxide phosphide ppo  
907 CO2- Carbon dioxide anion co2-  
908 CO2+ Carbon dioxide cation co2+  
909 OCS Carbonyl sulfide cos  
910 OCS+ Carbonyl sulfide cation cos+  
911 SiO2 silicon dioxide sio2  
912 CS2 Carbon disulfide cs2  
913 CS2- Carbon disulfide anion cs2-  
914 CS2+ Carbon disulfide cation cs2+  
915 TiO2 Titanium dioxide tio2  
916 SiS2 Silicon disulfide sis2  
917 GeO2 Germanium dioxide geo2  
918 OCSe Carbonyl selenide ocse  
919 SCSe Carbon sulfide selenide scse  
920 GeS2 Germanium disulfide ges2  
921 CSe2 Carbon diselenide cse2  
922 SCTe Carbon sulfide Telluride scte  
923 NO2 Nitrogen dioxide no2  
924 NO2- Nitrogen dioxide anion no2-  
925 NO2+ Nitrogen dioxide cation no2+  
926 NSO sulfinyl amidogen NSO  
927 PO2 Phosphorus dioxide po2  
928 PO2- Phosphorus dioxide anion po2-  
929 PO2+ Phosphorus dioxide cation po2+  
930 SNO Nitrogen oxide sulfide sno  
931 AsO2 Aresenic dioxide aso2  
932 O3 Ozone o3  
933 O3- Ozone anion o3-  
934 O3+ Ozone cation o3+  
935 SO2- Sulfur dioxide anion so2-  
936 SO2+ Sulfur dioxide cation so2+  
937 SSO Disulfur monoxide sso  
938 S3 Sulfur trimer s3  
939 S3- Sulfur trimer anion s3-  
940 S3+ Sulfur trimer cation s3+  
941 SeO2 Selenium dioxide seo2  
942 SeO2+ Selenium dioxide cation seo2+  
943 TeO2 Tellurium Dioxide teo2  
944 HCCO ketenyl radical ketenyl  
945 CS2H+ Carbon disulfide, protonated cs2h+  
946 HCNO fulminic acid hcno  
947 HNCO Isocyanic acid hnco  
948 HOCN cyanic acid hocn  
949 HNCS Isothiocyanic acid hncs  
950 HSCN thiocyanic acid hscn  
951 HCO2- formate anion hco2-  
952 HNNO nitrosoazane hnno  
953 HNNO+ Nitrous oxide, N-protonated hnno+  
954 NNOH+ Nitrous Oxide, O-protonated nnoh+  
955 HCOO formate neutral radical hcoo  
956 HOCO Hydrocarboxyl radical hoco  
957 HOCO+ Hydrocarboxyl cation hoco+  
958 HNO2 Nitrous acid hno2  
959 HNO2+ nitrous acid cation hno2+  
960 O3H+ protonated ozone o3h+  
961 SO2H+ protonated sulfur dioxide so2h+  
962 C2H2O Oxirene oxirene  
963 CH2CO Ketene ch2co  
964 CH2CO+ Ketene cation ch2co+  
965 HCCOH ethynol hccoh  
966 CH2CS Thioketene ch2cs  
967 Be(OH)2 Beryllium hydroxide beo2h2  
968 Mg(OH)2 Magnesium dihydroxide h2mgo2  
969 NH2NO Nitrosamide nh2no  
970 CH2O2 Dioxirane diox  
971 H2COO Dioxymethyl radical h2coo  
972 H2COO+ dioxymethyl cation h2coo+  
973 HCOOH Formic acid ch2o2  
974 H2O3 Hydrogen trioxide h2o3  
975 HSSSH trisulfane hsssh  
976 NaOCH3 Sodium methoxide naoch3  
977 CH2BOH hydroxy(methylene)borane ch2boh  
978 BH3CO Borane carbonyl bh3co  
979 CH3BO Borane, methyloxo- ch3bo  
980 CH2CHO Vinyloxy radical ch2cho  
981 CH2COH+ ketene, protonated ch2coh+  
982 CH3CO Acetyl radical ch3co  
983 CH3CO- Acetyl anion ch3co-  
984 CH3CO+ acetyl cation ch3co+  
985 CH2NOH formaldoxime ch2noh  
986 CH3NO nitrosomethane ch3no  
987 CHONH2 formamide formamide  
988 CNOH3 1,2-oxaziridine cnoh3  
989 HOCHNH hydroxymethylimine hochnh  
990 CHSNH2 thioformamide chsnh2  
991 NHCHSH Methanimidothioic acid nhchsh  
992 CH2OOH CH2OOH radical ch2ooh  
993 CH3OO methylperoxy radical ch3oo  
994 CH3OO- methylperoxy anion ch3oo-  
995 CH3OO+ methylperoxy cation ch3oo+  
996 C2H4O Ethylene oxide c2h4o  
997 C2H4O+ ethylene oxide cation c2h4o+  
998 CH2CHOH ethenol ch2choh  
999 CH3CHO Acetaldehyde ch3cho  
1000 CH3CHO+ acetaldehyde cation ch3cho+  
1001 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1002 C2H4S Thiirane thiirane  
1003 CH2CHSH Ethenethiol ch2chsh  
1004 CH3CHS Thioacetaldehyde ch3chs  
1005 H2CONH2+ protonated formamide h2conh2+  
1006 NH2CHOH+ Formamide, O-protonated nh2choh+  
1007 NH3CHO+ Formamide, N-Protonated nh3cho+  
1008 CH2(OH)2 methanediol ch2o2h2  
1009 CH3OOH Methyl peroxide ch3ooh  
1010 CH3SSH Hydrogen methyl disulfide ch3ssh  
1011 HSCH2SH Methanedithiol ch4s2  
1012 H2OH2CO water formaldehyde dimer h2oh2co  
1013 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1014 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1015 CH3CH2O Ethoxy radical ethoxy  
1016 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1017 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1018 CH3OCH2 methoxymethyl radical ch3och2  
1019 NH2CH2OH aminomethanol nh2ch2oh  
1020 CH3CH2OH Ethanol etoh  
1021 CH3OCH3 Dimethyl ether meome  
1022 CH3CH2SH ethanethiol etsh  
1023 CH3SCH3 Dimethyl sulfide mesme  
1024 CH3SCH3+ dimethyl sulfide cation mesme+  
1025 CH3SeCH3 dimethylselenide dmse  
1026 CH3OHH2O methanol water dimer ch3ohh2o  
1027 H2OCH3OH water methanol dimer h2och3oh  
1028 CuF2 Copper difluoride cuf2  
1029 ZnF2 Zinc difluoride znf2  
1030 CNF iso cyanogen fluoride cnf  
1031 FCN Cyanogen fluoride fcn  
1032 ClCN chlorocyanogen clcn  
1033 BrCN Cyanogen bromide brcn  
1034 ICN Cyanogen iodide icn  
1035 FBO Boron monofluoride monoxide fbo  
1036 BeF2 Beryllium fluoride bef2  
1037 MgF2 Magnesium fluoride mgf2  
1038 BeCl2 Beryllium chloride becl2  
1039 MgCl2 Magnesium dichloride mgcl2  
1040 CaCl2 Calcium Chloride cacl2  
1041 ZnCl2 Zinc dichloride zncl2  
1042 BeBr2 Beryllium bromide bebr2  
1043 CaBr2 Calcium dibromide cabr2  
1044 CaF2 Calcium difluoride caf2  
1045 FCO Carbonyl fluoride fco  
1046 FCO+ Carbonyl fluoride cation fco+  
1047 ClCO carbonyl monochloride clco  
1048 BF2 Boron difluoride radical bf2  
1049 FNO Nitrosyl fluoride fno  
1050 ClNO Nitrosyl chloride clno  
1051 FNS Thionitrosyl fluoride fns  
1052 FSN Thiazyl fluoride fsn  
1053 OPCl Phosphorus oxychloride opcl  
1054 BrNO Nitrosyl bromide brno  
1055 INO Nitrosyl iodide ino  
1056 CF2 Difluoromethylene cf2  
1057 CF2- Difluoromethylene anion cf2-  
1058 CF2+ Difluoromethylene cation cf2+  
1059 CFCl chlorofluoromethylene cfcl  
1060 SiF2 Silicon difluoride sif2  
1061 SiF2+ Silicon difluoride cation sif2+  
1062 CCl2 dichloromethylene ccl2  
1063 CCl2- dichloromethylene anion ccl2-  
1064 CCl2+ dichloromethylene cation ccl2+  
1065 SiCl2 Dichlorosilylene sicl2  
1066 GeF2 Germanium difluoride gef2  
1067 GeCl2 Germanium dichloride gecl2  
1068 CBr2 dibromomethylene cbr2  
1069 FOO Dioxygen monofluoride radical foo  
1070 FOO+ Fluorine dioxide cation foo+  
1071 ClOO chloroperoxy radical cloo  
1072 ClOO+ chloroperoxy cation cloo+  
1073 OClO Chlorine dioxide oclo  
1074 OClO- Chlorine dioxide anion oclo-  
1075 OClO+ Chlorine dioxide cation oclo+  
1076 ClSO Sulfur chloride oxide clso  
1077 ClS2 Sulfur chloride cls2  
1078 BrOO Bromine dioxide broo  
1079 OBrO Bromine dioxide radical obro  
1080 NF2 Difluoroamino radical nf2  
1081 NF2+ Difluoroamino cation nf2+  
1082 PF2 Phosphorus difluoride pf2  
1083 PF2+ Phosphorus difluoride cation pf2+  
1084 FClO chlorosyl fluoride fclo  
1085 F2O Difluorine monoxide f2o  
1086 ClOF Chlorine hypofluorite clof  
1087 SF2 sulfur difluoride sf2  
1088 SF2- sulfur difluoride anion sf2-  
1089 SF2+ sulfur difluoride cation sf2+  
1090 Cl2O Dichlorine monoxide cl2o  
1091 SCl2 Sulfur dichloride scl2  
1092 SeF2 Selenium difluoride sef2  
1093 BrOCl Bromine hypochlorite brocl  
1094 SeCl2 Selenium Dichloride secl2  
1095 SBr2 Sulfur dibromide sbr2  
1096 SeBr2 Selenium dibromide sebr2  
1097 BrOBr Bromine oxide brobr  
1098 F3- trifluoride anion f3-  
1099 Cl3- trichloride anion cl3-  
1100 Br3- tribromide anion br3-  
1101 I3- triiodide i3-  
1102 SFCl Sulfur chloride fluoride sfcl  
1103 HCCF Fluoroacetylene hccf  
1104 HCCF+ fluoroacetylene cation hccf+  
1105 HCCCl Chloroacetylene hcccl  
1106 HCCBr bromoacetylene hccbr  
1107 HFCO formyl fluoride hfco  
1108 HFCO+ formyl fluoride cation hfco+  
1109 COHCl Formyl chloride cohcl  
1110 COHBr Formyl bromide cohbr  
1111 BHF2 Difluoroborane bhf2  
1112 BHCl2 Borane, dichloro- bhcl2  
1113 CHCl2 dichloromethyl radical chcl2  
1114 CHF2 difluoromethyl radical chf2  
1115 CHF2+ difluoromethyl cation chf2+  
1116 CHFCl Chlorofluoromethyl radical chfcl  
1117 CHFCl+ Chlorofluoromethyl cation chfcl+  
1118 CHCl2+ dichloromethyl cation chcl2+  
1119 CHBr2 dibromomethyl radical chbr2  
1120 HOClO Chlorous acid hoclo  
1121 NHF2 difluoramine nhf2  
1122 NHCl2 dichloroamine nhcl2  
1123 CH2F2 Methane, difluoro- ch2f2  
1124 CH2FCl fluorochloromethane ch2fcl  
1125 SiH2F2 difluorosilane sih2f2  
1126 CH2Cl2 Methylene chloride ch2cl2  
1127 CH2BrF Methane, bromofluoro- ch2fbr  
1128 CH2BrCl Methane, bromochloro- ch2clbr  
1129 CH2FI fluoroiodomethane ch2fi  
1130 CH2Br2 dibromomethane ch2br2  
1131 CH2ClI chloroiodomethane ch2cli  
1132 CH2BrI bromoiodomethane ch2bri  
1133 CH2I2 Diiodomethane ch2i2  
1134 SiH2Cl2 dichlorosilane sih2cl2  
1135 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1136 CH2CHF Ethene, fluoro- ch2chf  
1137 CH2CHF+ fluoroethene cation ch2chf+  
1138 C2H3Cl Ethene, chloro- ch2chcl  
1139 C2H3Br vinyl bromide c2h3br  
1140 C2H3I Vinyl iodide c2h3i  
1141 CH2FOH fluoromethanol ch2foh  
1142 CH3OCl methyl hypochlorite ch3ocl  
1143 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1144 CHClCH3 1-chloroethyl radical chclch3  
1145 C2H5F fluoroethane c2h5f  
1146 CH3CH2Cl Ethyl chloride c2h5cl  
1147 CH3SiFH2 fluoromethylsilane ch3sifh2  
1148 C2H5Br Ethyl bromide etbr  
1149 C2H5I Ethyl iodide c2h5i  
1150 KrF2 Krypton difluoride krf2  
1151 XeF2 Xenon difluoride xef2  
1152 B4H10 Tetraborane(10) b4h10  
1153 C4 Carbon tetramer c4  
1154 C4+ Carbon tetramer cation c4+  
1155 C4H2 Diacetylene c4h2  
1156 C4H2+ diacetlyene cation c4h2+  
1157 C2H3CCH 1-Buten-3-yne c2h3cch  
1158 C4H4 cyclobutadiene cbd  
1159 C4H4 Tetrahedrane c4h4  
1160 H2CCCCH2 Butatriene h2cccch2  
1161 C4H6 1-Methylcyclopropene c3100047  
1162 C4H6 Cyclobutene c822355  
1163 C4H6 Methylenecyclopropane c6142730  
1164 CH2CCHCH3 1,2-Butadiene butad12  
1165 CH2CHCHCH2 1,3-Butadiene c106990  
1166 CH3CCCH3 2-Butyne c503173  
1167 CHCCH2CH3 1-Butyne c107006  
1168 CH3CHCHCH2 methylallyl radical c4h7  
1169 C4H8 methylcyclopropane mcp  
1170 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1171 CH2CHCH2CH3 1-Butene bute1  
1172 CH3CHCHCH3 2-Butene, (E)- bute2e  
1173 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1174 B(CH3)3 trimethylborane bme3  
1175 Al(CH3)3 trimethyl aluminum tma  
1176 C(CH3)3 Tert-butyl radical tbutyl  
1177 CH2CH(CH3)2 Isobutyl radical isobutyl  
1178 CH3CHCH2CH3 2-Butyl radical butyl2  
1179 CH3CH(CH3)CH3 Isobutane isobutane  
1180 CH3CH2CH2CH3 Butane butane  
1181 SiH(CH3)3 trimethylsilane trimsi  
1182 Li3N trilithium nitride li3n  
1183 C2N2 Cyanogen c2n2  
1184 C2N2+ Cyanogen cation c2n2+  
1185 P4 Phosphorus tetramer p4  
1186 As4 Arsenic tetramer as4  
1187 HCCCN Cyanoacetylene hcccn  
1188 HCCCN+ Cyanoacetylene cation hcccn+  
1189 H2CNCN cyanamide, methylene ch2ncn  
1190 HNCCNH Ethenediimine hnccnh  
1191 C3H3N acrylonitrile ch2chcn  
1192 C3H3N+ acrylonitrile cation ch2chcn+  
1193 CH3N3 methyl azide ch3n3  
1194 NH2CCNH2 Diaminoacetylene daa  
1195 NH2CH2CN Aminoacetonitrile aan  
1196 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1197 C2H5CN ethyl cyanide c2h5cn  
1198 CH5N3 Guanidine guanidine  
1199 C4H6 Bicyclo[1.1.0]butane c157335  
1200 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1201 H2NCHCHNH2 diaminoethylene dae  
1202 CH6N3+ guanidinium ch6n3+  
1203 C3H7N Cyclopropylamine cpram  
1204 CH7N3 triaminomethane tam  
1205 C3H7N Azetidine azet  
1206 C4H8 cyclobutane cbutane  
1207 C2H8N2 Ethylenediamine ethdiam  
1208 CH3NHNHCH3 dimethyl hydrazine dmh  
1209 CH3CH(NH2)CH3 2-Propanamine pram2  
1210 N(CH3)3 Trimethylamine trimeam  
1211 NH2CH2CH2CH3 1-Propanamine pram1  
1212 P(CH3)3 trimethylphosphine tmp  
1213 N(SiH3)3 trisilylamine tsa  
1214 As(CH3)3 trimethyl arsine tmas  
1215 (CH3)3NH+ protonated trimethyl amine ptma  
1216 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1217 Li2O2 dilithium dioxide li2o2  
1218 Na2O2 disodium dioxide na2o2  
1219 K2O2 dipotassium dioxide k2o2  
1220 C3O Tricarbon monoxide c3o  
1221 B2O2 Diboron dioxide b2o2  
1222 ONNO NO dimer onno  
1223 S2N2 Disulfur dinitride s2n2  
1224 CO3 Carbon trioxide co3  
1225 CO3-- carbonate co3--  
1226 CS3-- Carbonotrithioate cs3--  
1227 NO3 Nitrogen trioxide no3  
1228 NO3- nitrate anion no3-  
1229 NO3+ nitrogen trioxide cation no3+  
1230 SO3 Sulfur trioxide so3  
1231 SO3- Sulfur trioxide anion so3-  
1232 SO3-- Sulfate dianion so3--  
1233 SO3+ Sulfur trioxide cation so3+  
1234 SeO3 selenium trioxide seo3  
1235 S4 Sulfur tetramer s4  
1236 TeO3 Tellurium trioxide teo3  
1237 HCO3- bicarbonate anion hco3-  
1238 HNO3 Nitric acid hno3  
1239 HSO3 Hydroxysulfonyl radical hso3  
1240 NH2NO2 nitramide nh2no2  
1241 C2H2CO cyclopropenone c2h2co  
1242 C3H2O Propadienal c3h2o  
1243 HCCCHO 2-propynal hcccho  
1244 C2H2O2 Ethanedial c2h2o2  
1245 C2H2O2+ Ethanedial cation c2h2o2+  
1246 H2CO3 Carbonic acid h2co3  
1247 H2CS3 thiocarbonic acid h2cs3  
1248 H2NO3+ Nitric Acid, Protonated h2no3+  
1249 H2SO3 Sulfurous acid h2so3  
1250 C2H3NO Nitrosoethylene c2h3no  
1251 CH3NCO methylisocyante ch3nco  
1252 HOCH2CN cyanomethanol hoch2cn  
1253 CH3COO- acetate anion ch3coo-  
1254 CH3NO2 Methane, nitro- ch3no2  
1255 CH3ONO Methyl nitrite ch3ono  
1256 NH2COOH Carbamic acid nh2cooh  
1257 H3BO3 Boric acid h3bo3  
1258 H3AlO3 Aluminum hydroxide h3alo3  
1259 H3CO3+ carbonic acid, protonated h3co3+  
1260 C3H4O 2-Propyn-1-ol c107197  
1261 C3H4O allenol c9000071  
1262 C3H4O Cyclopropanone cpone  
1263 C3H4O Methylketene c6004440  
1264 CH2CHCHO Acrolein c3h4o  
1265 NH2CONH2 Urea urea  
1266 NH2CONH2+ Urea cation urea+  
1267 NH2CSNH2 Thiourea thiourea  
1268 C2H4O2 1,3-dioxetane c2h4o2  
1269 CH3COOH Acetic acid ch3cooh  
1270 CH3OCHO methyl formate ch3ocho  
1271 CHOCH2OH hydroxy acetaldehyde haa  
1272 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1273 NH3COOH+ protonated Carbamic acid nh3cooh+  
1274 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1275 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1276 HCOOHH2O Formic acid water dimer hcoohh2o  
1277 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1278 CH3COCH2 Acetonyl radical ch3coch2  
1279 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1280 CH3C(OH)=NH Ethaninidic acid eia  
1281 CH3CHNOH Acetaldoxime acetaldoxime  
1282 CH3CONH2 Acetamide acetamide  
1283 HCONHCH3 N-methylformamide nmfa  
1284 CH3CSNH2 Ethanethioamide ch3csnh2  
1285 CH5N2O+ urea, N-protonated ch4n2o+  
1286 H2NCOHNH2+ urea, protonated ureah+  
1287 C2H5OO ethylperoxy radical c2h5oo  
1288 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1289 C3H5OH Cyclopropanol cproh  
1290 C3H6O 2-Propen-1-ol c107186  
1291 C3H6O Acetone enol enol  
1292 C3H6O Oxetane oxetane  
1293 C3H6O Propylene oxide prox  
1294 CH3CH2CHO Propanal propanal  
1295 CH3COCH3 Acetone acetone  
1296 CH3COCH3- acetone anion ch3coch3-  
1297 C3H6S Thietane thietane  
1298 C3H6S Thiirane, methyl- methiirane  
1299 CH3CSCH3 Thioacetone ch3csch3  
1300 C2H6O2 1,2-Ethanediol ethdiol  
1301 CH3OOCH3 dimethylperoxide dmp  
1302 CH3SOCH3 Dimethyl sulfoxide dmso  
1303 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1304 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1305 CH3COHCH3+ acetone, protonated acetoneh+  
1306 HOCH2CH2NH2 monoethanolamine mea  
1307 C3H7OH 1-Propanol proh  
1308 CH3CHOHCH3 Isopropyl alcohol isoproh  
1309 CH3OC2H5 Ethane, methoxy- etome  
1310 C3H7SH 1-Propanethiol prsh  
1311 CH3CHSHCH3 2-Propanethiol isoprsh  
1312 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1313 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1314 Li2F2 Lithium fluoride dimer li2f2  
1315 Na2F2 Sodium Fluoride Dimer na2f2  
1316 Na2Cl2 Disodium dichloride na2cl2  
1317 C2F2 difluoroacetylene c2f2  
1318 C2Cl2 dichloroacetylene c2cl2  
1319 C2Cl2+ dichloroacetylene cation c2cl2+  
1320 FNO2 Nitryl fluoride fno2  
1321 FONO Nitrosyl hypofluorite fono  
1322 ClNO2 Nitryl chloride clno2  
1323 ClONO chlorine nitrite clono  
1324 BrONO Bromine nitrite brono  
1325 N2F2 (Z)-Difluorodiazene n2f2_z  
1326 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1327 CF2O Carbonic difluoride f2co  
1328 CF2O+ Carbonic difluoride cation f2co+  
1329 COFCl Carbonic chloride fluoride cofcl  
1330 CCl2O Phosgene cl2co  
1331 Cl2CS Thiophosgene cl2cs  
1332 COBr2 Carbonic dibromide cobr2  
1333 BF3- Borane, trifluoro- anion bf3-  
1334 BF3+ boron trifluoride cation bf3+  
1335 BClF2 Chlorodifluoroborane bclf2  
1336 AlF2Cl Aluminum chloride difluoride alclf2  
1337 ScF3 Scandium trifluoride ScF3  
1338 AlFCl2 Aluminum dichloride fluoride alcl2f  
1339 BCl3 Borane, trichloro- bcl3  
1340 BCl3+ Boron Trichloride cation bcl3+  
1341 GaF3 Gallium trifluoride gaf3  
1342 AlCl3 Aluminum trichloride alcl3  
1343 GaCl3 Gallium trichloride gacl3  
1344 BBr3 Boron tribromide bbr3  
1345 AlBr3 Aluminum Bromide albr3  
1346 ClO3 Chlorine trioxide clo3  
1347 ClO3- chlorate anion clo3-  
1348 BrO3- Bromate anion bro3-  
1349 CF3 Trifluoromethyl radical cf3  
1350 CF3- Trifluoromethyl anion cf3-  
1351 CF3+ Trifluoromethyl cation cf3+  
1352 CF2Cl difluorochloromethyl radical cf2cl  
1353 SiF3 Silicon trifluoride radical sif3  
1354 SiF3+ Silicon trifluoride cation sif3+  
1355 CFCl2 dichlorofluoromethyl radical cfcl2  
1356 CCl3 Trichloromethyl radical ccl3  
1357 CCl3- Trichloromethyl anion ccl3-  
1358 CCl3+ Trichloromethyl cation ccl3+  
1359 SiCl3 trichlorosilyl radical sicl3  
1360 SiCl3+ trichlorosilyl cation sicl3+  
1361 CBr3 tribromomethyl radical cbr3  
1362 FOOF Perfluoroperoxide foof  
1363 ClO2F Chloryl fluoride clo2f  
1364 F2SO Thionyl Fluoride f2so  
1365 ClOOCl Dichlorine dioxide cloocl  
1366 FSSF Difluorodisulfane fssf  
1367 S2F2 Thio-thionyl fluoride s2f2  
1368 SOCl2 thionyl chloride socl2  
1369 SSCl2 Thiothionyl chloride sscl2  
1370 SeOCl2 selenium oxychloride seocl2  
1371 NF3 Nitrogen trifluoride nf3  
1372 NF3- Nitrogen trifluoride anion nf3-  
1373 NF3+ Nitrogen trifluoride cation nf3+  
1374 PF3 Phosphorus trifluoride pf3  
1375 NCl3 nitrogen trichloride ncl3  
1376 AsF3 Arsenic trifluoride asf3  
1377 PCl3 Phosphorus trichloride pcl3  
1378 SbF3 Antimony Trifluoride sbf3  
1379 AsCl3 Arsenous trichloride ascl3  
1380 SbCl3 Antimony Trichloride sbcl3  
1381 NBr3 Nitrogen Tribromide nbr3  
1382 PBr3 Phosphorus tribromide pbr3  
1383 AsBr3 Arsenic tribromide asbr3  
1384 NI3 Nitrogen triiodide ni3  
1385 PI3 Phosphorus triiodide pi3  
1386 ClSSCl Disulfur dichloride s2cl2  
1387 SF3 Sulfur trifluoride sf3  
1388 ClF3 Chlorine trifluoride clf3  
1389 BrF3 Bromine trifluoride brf3  
1390 IF3 iodone trifluoride if3  
1391 HClO3 Chloric Acid hclo3  
1392 CHF3 Methane, trifluoro- chf3  
1393 CHF2Cl difluorochloromethane chf2cl  
1394 SiHF3 trifluorosilane sihf3  
1395 CHFCl2 fluorodichloromethane chfcl2  
1396 CDCl3 trichloromethane-d cdcl3  
1397 CHCl3 Chloroform chcl3  
1398 CHBrF2 Methane, bromodifluoro- chbrf2  
1399 SiHCl3 Trichlorosilane sihcl3  
1400 CHFClBr fluorochlorobromomethane chfclbr  
1401 CHBrCl2 Methane, bromodichloro- chbrcl2  
1402 CHF2I difluoroiodomethane chf2i  
1403 CHBr2F dibromofluoromethane chbr2f  
1404 CHFClI fluorochloroiodomethane chfcli  
1405 CHCl2I dichloroiodomethane chcl2i  
1406 CHClBr2 Methane, dibromochloro- chclbr2  
1407 CHBr3 bromoform chbr3  
1408 CHI3 Iodoform chi3  
1409 NF3H+ protonated nitrogen trifluoride nf3h+  
1410 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1411 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1412 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1413 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1414 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1415 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1416 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1417 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1418 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1419 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1420 C2H2Br2 1,1-dibromoethene c2h2br2  
1421 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1422 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1423 CH2FCHO Fluoroacetaldehyde ch2fcho  
1424 CH3COF Acetyl fluoride ch3cof  
1425 CH2ClCHO chloroacetaldehyde ch2clcho  
1426 CH3COCl Acetyl Chloride ch3cocl  
1427 C2H4F2 1,2-difluoroethane c2h4f2  
1428 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1429 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1430 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1431 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1432 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1433 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1434 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1435 CH2CFCH3 2-fluoropropene 2fpro  
1436 CH2CHCH2F Allyl Fluoride allylf  
1437 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1438 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1439 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1440 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1441 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1442 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1443 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1444 CH2FCH2CH3 1-Fluoropropane prf1  
1445 CH3CHFCH3 2-Fluoropropane prf2  
1446 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1447 CH3CHClCH3 Propane, 2-chloro- prcl2  
1448 CH3CH2CH2Br n-propyl bromide prbr  
1449 CH3CHBrCH3 i-propyl bromide iprbr  
1450 C3H9O+ trimethyl oxonium cation c3h9o+  
1451 B5H9 pentaborane9 b5h9  
1452 C5H4 pentatetraene ptrene  
1453 C5H5 cyclopentadienyl radical c5h5  
1454 C5H5- cylopentadienyl anion c5h5-  
1455 C5H6 1,3-Cyclopentadiene c542927  
1456 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1457 C5H6 3-Penten-1-yne, (E)- c2004695  
1458 C5H6 3-Penten-1-yne, (Z)- c1574409  
1459 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1460 C5H6 Cyclopropylacetylene c6746947  
1461 C5H6 Propellane propellane  
1462 C5H7 1,3-pentadienyl radical pdyl  
1463 C5H7 cyclopentenyl radical cpyl  
1464 C5H8 1,2-Butadiene, 3-methyl- c598254  
1465 C5H8 1,2-Pentadiene c591957  
1466 C5H8 1,3-Butadiene, 2-methyl- c78795  
1467 C5H8 1,3-Pentadiene, (E)- c2004708  
1468 C5H8 1,3-Pentadiene, (Z)- c1574410  
1469 C5H8 1,4-Pentadiene c591935  
1470 C5H8 1-pentyne a1pentyne  
1471 C5H8 2,3-Pentadiene c591968  
1472 C5H8 Bicyclo[1.1.1]pentane bcp  
1473 C5H8 Cyclobutane, methylene- c1120565  
1474 C5H8 Cyclopentene c142290  
1475 C5H8 Ethenylcyclopropane c693867  
1476 CH3CCCH2CH3 2-Pentyne 2pentyne  
1477 C5H10 1-Butene, 2-methyl- c563462  
1478 C5H10 2-Butene, 2-methyl- c513359  
1479 C5H10 2-Pentene, (E)- c646048  
1480 C5H10 2-Pentene, (Z)- c627203  
1481 C5H10 Cyclopentane c287923  
1482 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1483 CH2CHCH2CH2CH3 1-pentene pentene  
1484 C5H11 2-Methylbut-2-yl radical c4348350  
1485 C5H12 Butane, 2-methyl- buta2  
1486 C5H12 Pentane pentane  
1487 C5H12 Propane, 2,2-dimethyl- neopentane  
1488 Si(CH3)4 tetramethylsilane tms  
1489 N2O3 Dinitrogen trioxide n2o3  
1490 C3H2N2 Malononitrile c3h2n2  
1491 CH2N4 1H-Tetrazole 1htz  
1492 C3H3N2 imidazolyl radical im  
1493 C3H3N2- imidizolyl anion im-  
1494 C2H3N3 1H-1,2,4-Triazole c288880  
1495 C4H4N pyrrolide radical c4h4n  
1496 C4H4N- pyrrolide anion c4h4n-  
1497 C3H4N2 1H-Imidazole 1himidaz  
1498 C3H4N2 1H-Pyrazole 1hpyraz  
1499 C3H4N2 2H-Imidazole imid2h  
1500 C3H4N2 4H-Imidazole imid4h  
1501 C4H5N (E)-2-Butenenitrile c627269  
1502 C4H5N (Z)-2-Butenenitrile c1190767  
1503 C4H5N 2H-pyrrole pyrrole2  
1504 C4H5N 3H-pyrrole pyrrole3  
1505 C4H5N Cyclopropanecarbonitrile c5500210  
1506 C4H5N Pyrrole pyrrole  
1507 CH2CHCH2CN Allylcyanide ch2chch2cn  
1508 C4H6N+ pyrrole, alpha-protonated appyr  
1509 C4H6N+ pyrrole, beta-protonated bppyr  
1510 C4H6N+ pyrrole, protonated ppyr  
1511 C3H6N2 3-Aminopropionitrile c151188  
1512 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1513 CH3CH2CH2CN Butanenitrile c109740  
1514 C5H8 Bicyclo[2.1.0]pentane c185944  
1515 C5H8 Spiropentane c157404  
1516 C4H9N Cyclobutylamine cbam  
1517 C4H9N Pyrrolidine pyrrolidine  
1518 C3H10N2 1,2-Diaminopropane diampr12  
1519 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1520 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1521 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1522 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1523 NH(C2H5)2 diethylamine dea  
1524 NC4H12+ tetramethyl ammonium cation nc4h12+  
1525 C3O2 Carbon suboxide c3o2  
1526 C3O2+ Carbon suboxide cation c3o2+  
1527 B2O3 diboron trioxide b2o3  
1528 MgCO3 Magnesium Carbonate mgco3  
1529 BeCO3 Beryllium Carbonate beco3  
1530 CaCO3 Calcium Carbonate caco3  
1531 ONONO Nitrosyl nitrite onono  
1532 PO4--- phosphate po4---  
1533 SO4-- sulfate so4--  
1534 HOONO2 peroxy nitric acid hoono2  
1535 HSO4- bisulfate anion hso4-  
1536 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1537 C3H2O2 Propiolic acid c3h2o2  
1538 CHOCOOH oxo acetic acid oaa  
1539 CHOOCHO diformyl ether choocho  
1540 H2SO4 Sulfuric acid h2so4  
1541 H2SeO4 Selenic acid h2seo4  
1542 C3H3NO Isoxazole isox  
1543 C3H3NO Oxazole oxazole  
1544 C3H3NS Thiazole thiazole  
1545 CH3C(O)OO acetyl peroxy radical ch3coo2  
1546 CH3NO3 Methyl nitrate ch3no3  
1547 H3PO4 Phosphoric Acid h3po4  
1548 C4H4O Furan furan  
1549 C4H4O+ Furan cation furan+  
1550 CH3COCCH 3-butyn-2-one c1423605  
1551 C4H4S Thiophene furans  
1552 C4H4Se selenophene c4h4se  
1553 C3H4O2 β–Propiolactone beta  
1554 C3H4O2 2-Propenoic acid propenoic2  
1555 C3H4O2 Methyl glyoxal megly  
1556 C3H4O2 propanedial propanedial  
1557 C3H4O2 propenalol propenalol  
1558 HOCHCCHOH allenediol aldiol  
1559 C2H4O3 1,2,3-trioxolane c2h4o3  
1560 C2H4O3 trioxolane124 triox  
1561 HOCH2COOH Hydroxyacetic acid hac  
1562 CH2CHCONH2 Acrylamide c79061  
1563 CH3OCH2CN Methoxyacetonitrile c1738369  
1564 CH5N3S Hydrazinecarbothioamide c79196  
1565 H2NCH2COOH Glycine glycine  
1566 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1567 C4H6O cis-2-butenal butenal2c  
1568 C4H6O Cyclobutanone cbutone  
1569 C4H6O Furan, 2,3-dihydro- furan23h  
1570 C4H6O Furan, 2,5-dihydro- furan25h  
1571 CH2CHOCHCH2 Vinyl ether vinylether  
1572 CHOCHCHCH3 2-Butenal butenal2  
1573 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1574 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1575 CH2CHSCHCH2 Divinyl sulfide divis  
1576 C2H6N2O Urea, methyl- c598505  
1577 C3H6O2 1,3-Dioxolane dioxolane  
1578 CH3CH2COOH Propanoic Acid propanoic  
1579 CH3COOCH3 methyl acetate aame  
1580 HCOOC2H5 Ethyl formate faee  
1581 C2H6O2S Dimethyl sulfone c67710  
1582 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1583 C3H7NO dimethylformamide dmf  
1584 C3H7NO Propanamide propanam  
1585 C2H3OC2H5 Ethene, ethoxy- c109922  
1586 C4H8O Cyclobutanol c2919235  
1587 C4H8O Furan, tetrahydro- thf  
1588 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1589 CH3COCH2CH3 2-Butanone buta2one  
1590 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1591 CHOCH2CH2CH3 Butanal butanal  
1592 C4H8S Thiophene, tetrahydro- tht  
1593 C3H8O2 1,3-Propanediol c504632  
1594 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1595 C3H8O2 Methane, dimethoxy- c109875  
1596 C3H8O2 Propylene glycol c57556  
1597 C3H8S2 1,3-Propanedithiol c109808  
1598 C4H10O 1-Butanol butanol1  
1599 C4H10O 1-Propanol, 2-methyl- c78831  
1600 C4H10O 2-Butanol, (.+/-.)- butanol2  
1601 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1602 C4H10O Ethoxy ethane etoet  
1603 C4H10O Methyl propyl ether meopr  
1604 C4H10O Propane, 2-methoxy- c598538  
1605 C4H10O+ 1-Butanol cation butanol1+  
1606 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1607 C2H5SC2H5 Diethyl sulfide etset  
1608 C4H9SH 1-Butanethiol bush  
1609 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1610 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1611 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1612 FNO3 Fluorine nitrate fno3  
1613 ClONO2 Chlorine nitrate clono2  
1614 BrONO2 Bromine nitrate brono2  
1615 TiCl4 Titanium tetrachloride ticl4  
1616 ClO4- perchlorate anion clo4-  
1617 BF4- tetrafluoroboron anion bf4-  
1618 ClFO3 Perchloryl fluoride clfo3  
1619 SO2F2 Sulfuryl fluoride so2f2  
1620 SO2Cl2 Sulfuryl chloride so2cl2  
1621 F3NO Nitrogen trifluoride oxide f3no  
1622 F3PO Phosphoryl fluoride pf3o  
1623 Cl3PO Phosphoryl chloride pcl3o  
1624 CF4 Carbon tetrafluoride cf4  
1625 CF3Cl Methane, chlorotrifluoro- cf3cl  
1626 SiF4 Silicon tetrafluoride sif4  
1627 CF2Cl2 difluorodichloromethane cf2cl2  
1628 TiF4 Titanium tetrafluoride tif4  
1629 CFCl3 Trichloromonofluoromethane cfcl3  
1630 CF3Br Bromotrifluoromethane cf3br  
1631 GeF4 Germanium tetrafluoride gef4  
1632 CCl4 Carbon tetrachloride ccl4  
1633 CCl4+ Carbon tetrachloride cation ccl4+  
1634 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1635 SiCl4 Silane, tetrachloro- sicl4  
1636 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1637 CF3I trifluoroiodomethane cf3i  
1638 CBrCl3 Methane, bromotrichloro- cbrcl3  
1639 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1640 GeCl4 Germanium Tetrachloride gecl4  
1641 CBr2ClF dibromochlorofluoromethane cbr2clf  
1642 CBr2Cl2 dibromodichloromethane cbr2cl2  
1643 CCl3I trichloroiodomethane ccl3i  
1644 CFBr3 fluorotribromomethane cfbr3  
1645 CFClBrI fluorochlorobromoiodomethane cfclbri  
1646 CBr3Cl tribromochloromethane cbr3cl  
1647 CF2I2 difluorodiiodomethane cf2i2  
1648 CBr4 Carbon tetrabromide cbr4  
1649 CCl2I2 dichlorodiiodomethane ccl2i2  
1650 SiBr4 Silicon tetrabromide sibr4  
1651 CBr3I tribromoiododmethane cbr3i  
1652 GeBr4 Germanium tetrabromide gebr4  
1653 CI4 tetraiodomethane ci4  
1654 SiI4 silicon tetraiodide sii4  
1655 ClOF3 Chlorine trifluoride oxide clof3  
1656 SF4 Sulfur tetrafluoride sf4  
1657 SeF4 Selenium tetrafluoride sef4  
1658 SCl4 Sulfur tetrachloride scl4  
1659 C2HF3 Trifluoroethylene c2hf3  
1660 C2HF3+ Trifluoroethylene cation c2hf3+  
1661 CHClCCl2 Trichloroethylene chclccl2  
1662 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1663 HClO4 perchloric acid hclo4  
1664 HSO3F Fluorosulfonic acid hso3f  
1665 CF3OH trifluoromethanol cf3oh  
1666 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1667 CHClCCHCl 1,3-dichloroallene chclcchcl  
1668 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1669 CHCl2CHO dichloroacetaldehyde chcl2cho  
1670 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1671 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1672 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1673 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1674 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1675 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1676 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1677 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1678 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1679 NH3BCl3 Amminetrichloroboron nh3bcl3  
1680 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1681 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1682 C3H5ClO Oxirane, (chloromethyl)- c106898  
1683 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1684 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1685 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1686 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1687 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1688 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1689 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1690 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1691 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1692 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1693 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1694 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1695 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1696 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1697 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1698 C4H9F 1-fluorobutane butaf1  
1699 CH3CHFCH2CH3 2-fluorobutane butaf2  
1700 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1701 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1702 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1703 XeF4 Xenon tetrafluoride xef4  
1704 C2H2N2O Furazan furazan  
1705 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1706 NH3BF3 Amminetrifluoroboron nh3bf3  
1707 C6H2 hexatriyne c6h2  
1708 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1709 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1710 C6H4 Benzyne benzyne  
1711 C6H5 phenyl phenyl  
1712 C6H5- phenyl anion phenyl-  
1713 C6H6 Prismane prismane  
1714 C6H6 1,2,4,5-Hexatetraene ht1245  
1715 C6H6 2,4-Hexadiyne hexadiyne  
1716 C6H6 3,4-Dimethylenecyclobutene cb34m  
1717 C6H6 Benzene benzene  
1718 C6H6 Benzvalene bv  
1719 C6H6 Dewar Benzene dewar  
1720 C6H6 Hexa-1,5-diene-3-yne hdy153  
1721 C6H6 Trimethylenecycopropane tmcp  
1722 C6H6+ Benzene cation c6h6+  
1723 C6H7+ benzene, protonated c6h7+  
1724 C6H8 (E)-hexa-1,3,5-triene c821078  
1725 C6H8 (E)-hexa-2,3,4-triene c59660650  
1726 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1727 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1728 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1729 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1730 C6H8 3-Methylenecyclopentene c930267  
1731 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1732 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1733 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1734 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1735 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1736 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1737 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1738 C6H10 1,5-Hexadiene c592427  
1739 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1740 C6H10 1-Hexyne hexyne1  
1741 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1742 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1743 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1744 C6H10 2-Hexyne c764352  
1745 C6H10 3-Hexyne hexyne3  
1746 C6H10 cyclohexene cyclohexene  
1747 C6H10 Cyclopentene, 1-methyl- c693890  
1748 C6H10 Cyclopentene, 3-methyl- c1120623  
1749 C6H10 Cyclopentene, 4-methyl- c1759815  
1750 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1751 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1752 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1753 C6H12 (E)-2-Hexene e2hexene  
1754 C6H12 (E)-3-methylpent-2-ene c616126  
1755 C6H12 (E)-hex-3-ene e3hexene  
1756 C6H12 (Z)-3-methylpent-2-ene c922623  
1757 C6H12 (Z)-hex-2-ene z2hexene  
1758 C6H12 (Z)-hex-3-ene z3hexene  
1759 C6H12 2,3-dimethylbut-1-ene c563780  
1760 C6H12 2,3-dimethyl-but-2-ene tmeet  
1761 C6H12 3-methylenepentane c760214  
1762 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1763 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1764 C6H12 Cyclohexane cyclohexane  
1765 C6H12 Cyclopentane, methyl- c96377  
1766 C6H12 Ethylcyclobutane c4806615  
1767 C6H12 hex-1-ene hexene1  
1768 C6H14 Butane, 2,2-dimethyl- buta22  
1769 C6H14 Butane, 2,3-dimethyl- buta23  
1770 C6H14 Hexane hexane  
1771 C6H14 Pentane, 2-methyl- penta2  
1772 C6H14 Pentane, 3-methyl- penta3  
1773 C4N2 2-Butynedinitrile c4n2  
1774 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1775 C4H2N2 Fumaronitrile c4h2n2  
1776 C2H2N4 sym-tetrazine ttz  
1777 C3H3N3 1,3,5-Triazine triazine135  
1778 CH3N5 5-Aminotetrazole c4418615  
1779 C4H4N2 1,3-Diazine diazine13  
1780 C4H4N2 Pyrazine pyrazine  
1781 C4H4N2 Pyridazine pyridazine  
1782 C4H4N2 Succinonitrile c110612  
1783 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1784 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1785 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1786 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1787 C5H5N E-2,4-pentadienenitrile bdcn  
1788 C5H5N Pyridine pyridine  
1789 B3N3H6 borazine borazine  
1790 C6H6 Fulvene fulvene  
1791 C5H6N+ Pyridinium c5h6n  
1792 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1793 C5H7N (E)-2-Pentenenitrile c26294984  
1794 C5H7N (E)-3-Pentenenitrile c16529661  
1795 C5H7N (Z)-2-Pentenenitrile c25899507  
1796 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1797 C5H7N Cyclobutanecarbonitrile c4426113  
1798 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1799 C5H9N Butanenitrile, 2-methyl- c18936179  
1800 C5H9N Pentanenitrile c110598  
1801 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1802 C6H10 Bicyclo[3.1.0]hexane c285585  
1803 C5H11N Cyclopentanamine cypentam  
1804 C5H11N Piperidine piper  
1805 C4H12N2 1,2-Butanediamine c4426486  
1806 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1807 Li2CO3 Lithium Carbonate li2co3  
1808 Na2CO3 Sodium Carbonate na2co3  
1809 C2O4-- oxalate anion c2o4  
1810 MgSO4 Magnesium Sulfate mgso4  
1811 N2O4 Dinitrogen tetroxide n2o4  
1812 C3H2O3 vinylene carbonate vica  
1813 C2H2O4 Oxalic Acid oxalic  
1814 C2H3NO3 Oxamic acid oxamic  
1815 C4H4O2 2(5H)-Furanone furanone  
1816 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1817 C2H4N2O2 Oxalamide oxalamide  
1818 C2H4N2S2 Ethanedithioamide c79403  
1819 C2H4CO3 Ethylene carbonate etco3  
1820 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1821 C3H4S3 1,3-Dithiolane-2-thione c822388  
1822 C2H4O4 Formic acid dimer fadimer  
1823 C4H5NO 3-Methylisoxazole isox3m  
1824 C4H5NO Isoxazole, 5-methyl- c5765446  
1825 C4H5NS 4-Methylthiazole c693958  
1826 C2H5NO3 Nitric acid, ethyl ester c625581  
1827 C5H6O 2H-Pyran pyran2  
1828 C5H6O 2-methylfuran furan2m  
1829 C5H6O 3-Methylfuran furan3m  
1830 C5H6O Pentadienal pdal  
1831 C5H6S Thiophene, 2-methyl- c554143  
1832 C5H6S Thiophene, 3-methyl- c616444  
1833 C4H6O2 γ–Butyrolactone c96480  
1834 C4H6O2 2,3-Butanedione c431038  
1835 C4H6O2 2-Propenoic acid, methyl ester c96333  
1836 C4H6O2 Crotonic Acid crot  
1837 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1838 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1839 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1840 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1841 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1842 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1843 C4H6OS Vinyl sulfoxide c1115157  
1844 CH6N4S Carbonothioic dihydrazide thiacarb  
1845 C2H6N2O2 (E)-Azodioxymethane c37765154  
1846 C2H6N2O2 Dimethylnitroamine c4164287  
1847 C3H6O3 1,3,5-Trioxane trioxane  
1848 C3H6S3 1,3,5-Trithiane c3h6s3  
1849 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1850 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1851 C4H7NO 2-Pyrrolidinone c616455  
1852 C4H7NO Ethoxyacetonitrile etoaccn  
1853 C4H7NO Methacrylamide c79390  
1854 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1855 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1856 C3H7ONO Propyl nitrite prono  
1857 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1858 CH3CH(NH2)COOH Alanine alanine  
1859 CH3NHCH2COOH Sarcosine sarcosine  
1860 NH2CH2CH2COOH β–alanine betaalanine  
1861 NH2COOC2H5 Urethane urethane  
1862 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1863 C5H8O Cyclopentanone c120923  
1864 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1865 C5H8O Methyl cyclopropyl ketone c765435  
1866 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1867 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1868 NH2CONHC2H5 Urea, ethyl- c625525  
1869 C4H8O2 1,3-Dioxane dioxan13  
1870 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1871 C4H8O2 1,4-Dioxane dioxan14  
1872 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1873 C4H8O2 Ethyl acetate c141786  
1874 C4H8OS s-Ethyl thioacetate c625605  
1875 C3H8O3 1,2,3-Propanetriol glycerin  
1876 C3H8O2S (Methylsulfonyl)ethane c594434  
1877 C4H9NO Butanamide c541355  
1878 C4H9NO Propanamide, 2-methyl- c563837  
1879 C5H10O 2-Butanone, 3-methyl- c563804  
1880 C5H10O 2H-Pyran, tetrahydro- c142687  
1881 C5H10O 2-methylbutyraldehyde 2meba  
1882 C5H10O 2-Pentanone mpk  
1883 C5H10O 3-Pentanone dek  
1884 C5H10O Cyclopentanol c96413  
1885 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1886 C5H10O Pentanal pal  
1887 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1888 C5H10S 3-Ethylthio-1-propene c5296628  
1889 C5H10S Cyclopentanethiol c1679078  
1890 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1891 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1892 C4H10O2 1,1-Dimethoxyethane c534156  
1893 C4H10O2 1,3-Butanediol budiol13  
1894 C4H10O2 1,4-Butanediol budiol14  
1895 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1896 C4H10OS Diethyl sulfoxide c70291  
1897 C4H10S2 1,4-Butanedithiol budisl14  
1898 C4H11NO Diethylhydroxylamine c3710847  
1899 C5H12O 1-Butanol, 2-methyl- c137326  
1900 C5H12O 1-Butanol, 3-methyl- c123513  
1901 C5H12O 1-Pentanol pentanol1  
1902 C5H12O 2-Butanol, 3-methyl- c598754  
1903 C5H12O 2-Pentanol peol2  
1904 C5H12O 3-Pentanol pentan3ol  
1905 C5H12O Butane, 1-methoxy- meobu  
1906 C5H12O Propane, 1-ethoxy- proet  
1907 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1908 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1909 C5H12S 1-Butanethiol, 3-methyl- c541311  
1910 C5H12S 1-Pentanethiol c110667  
1911 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1912 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1913 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1914 C5H12S Butane, 1-(methylthio)- c628295  
1915 C5H12S Ethyl propyl sulfide c4110503  
1916 C5H12S Propane, 2-(ethylthio)- c5145993  
1917 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1918 C4F2 difluorobutadiyne c4f2  
1919 ClCOClCO Oxalyl chloride oxcl  
1920 CF3CN Acetonitrile, trifluoro- cf3cn  
1921 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1922 B2F4 Diboron tetrafluoride b2f4  
1923 B2Cl4 Diboron tetrachloride b2cl4  
1924 C2F4 Tetrafluoroethylene c2f4  
1925 C2F4+ Tetrafluoroethylene cation c2f4+  
1926 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1927 CF2CCl2 difluorodichloroethylene cf2ccl2  
1928 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1929 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1930 C2FCl3 fluorotrichloroethene c2fcl3  
1931 C2Cl4 Tetrachloroethylene c2cl4  
1932 C2Br4 tetrabromoethene c2br4  
1933 CF3OF Trifluoromethylhypofluorite cf3of  
1934 SiF5- silicon pentafluoride anion sif5-  
1935 SOF4 Sulfur tetrafluoride oxide sof4  
1936 PF5 Phosphorus pentafluoride pf5  
1937 AsF5 Arsenic pentafluoride asf5  
1938 PCl5 Phosphorus pentachloride pcl5  
1939 SF5 Sulfur pentafluoride sf5  
1940 SF5+ pentafluoro sulfur cation sf5+  
1941 SbCl5 Antimony pentachloride sbcl5  
1942 BrF5 bromine pentafluoride brf5  
1943 ClF5 chlorinepentafluoride clf5  
1944 IF5 pentafluoroiodine if5  
1945 CF3CHO trifluoroacetaldehyde cf3cho  
1946 CCl3CHO trichloroacetaldehyde ccl3cho  
1947 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1948 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1949 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1950 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1951 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1952 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1953 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1954 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1955 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1956 CF3COOH trifluoroacetic acid cf3cooh  
1957 C4H3ClO Furan, 2-chloro fur2cl  
1958 C4H3ClO Furan,3-chloro fur3cl  
1959 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1960 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1961 C4H8Cl2 1,4-Dichlorobutane c110565  
1962 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1963 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1964 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1965 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1966 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1967 C5H11Cl Pentane, 1-chloro- pencl1  
1968 C4H8O2 Butanoic acid bua  
1969 C6H5CH2 benzyl radical benzyl  
1970 C7H7 cycloheptatrienyl radical c7h7  
1971 C7H7+ cycloheptatrienyl cation c7h7+  
1972 C6H5CH3 toluene toluene  
1973 C7H8 cycloheptatriene cht  
1974 C7H8 Norbornadiene norbor  
1975 C7H8 Quadricyclane qucy  
1976 C7H12 Norbornane nor  
1977 C7H14 cycloheptane c7h14  
1978 C7H16 2-methylhexane 2mhex  
1979 C7H16 3-methylhexane hex3m  
1980 C7H16 heptane heptane  
1981 CH(CN)3 tricyanomethane mecn3  
1982 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1983 C6H7N 2-Methylpyridine mp  
1984 C6H5NH2 aniline aniline  
1985 C6H13N 2-Methylpiperidine pip2m  
1986 C6H13N cyclohexanamine cham  
1987 C6H15N triethylamine tea  
1988 N2O5 Dinitrogen pentoxide n2o5  
1989 C4H2O3 Maleic Anhydride malan  
1990 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1991 C5H4O2 furfural furfural  
1992 C6H5O phenoxy radical phenoxy  
1993 C5H5NO 2(1H)-Pyridinone c72762006  
1994 C5H5NO 2(3H)-Pyridinone c9000048  
1995 C5H5NO 2(5H)-Pyridinone c9000037  
1996 C5H5NO 2-Pyridinol c109104  
1997 C5H5NO 3(2H)-Pyridinone c9000004  
1998 C5H5NO 3(4H)-Pyridinone c9000026  
1999 C5H5NO 3(6H)-Pyridinone c9000015  
2000 C5H5NO 3-Pyridinol c109002  
2001 C5H5NO 4(1H)-Pryidinone c9000060  
2002 C5H5NO 4(3H)-Pryidinone c9000059  
2003 C5H5NO 4-Pyridinol c626642  
2004 C6H5OH phenol phenol  
2005 C6H6O 2,4-Cyclohexadienone c24599573  
2006 C6H6O 2,5-Cyclohexadienone c5664335  
2007 C6H5SH Benzenethiol phsh  
2008 HO2CCHNH2CH2OH Serine serine  
2009 C5H8O2 Acetylacetone acac  
2010 C4H8O2S Sulfolane sulfolane  
2011 C7H10 Norbornene norbornene  
2012 CH(C2H3)3 trivinyl methane tvm  
2013 C6H10O cyclohexanone chexo  
2014 C6H12O hexanal c6h12o  
2015 C6H12O Oxepane oxepane  
2016 C3H7OC3H7 di-n-propyl ether propr  
2017 F2CCCF2 tetrafluoroallene pfa  
2018 CF3COO- trifluoro acetate anion cf3coo-  
2019 CF3COF trifluoroacetyl fluoride cf3cof  
2020 CF3COCl trifluoroacetyl chloride cf3cocl  
2021 PF6 Hexafluorophosphate neutral pf6  
2022 PF6- Hexafluorophosphate ion pf6-  
2023 SF6 Sulfur Hexafluoride sf6  
2024 SeF6 Selenium hexafluoride sef6  
2025 SF5Cl sulfur chloropentafluoride sf5cl  
2026 CF3CHF2 pentafluoroethane cf3chf2  
2027 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2028 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2029 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2030 CCl3CHCl2 pentachloroethane ccl3chcl2  
2031 C6H5F Fluorobenzene bzf  
2032 C6H5Cl chlorobenzene bzcl  
2033 C6H5Br bromobenzene bzbr  
2034 C8H6 Calicene calicene  
2035 C6H5CCH phenylacetylene phac  
2036 C8H6 benzocyclobutadiene bcbd  
2037 C8H6 Pentalene pentalene  
2038 C6H5CHCH2 Styrene styrene  
2039 C8H8 cubane cubane  
2040 C8H8 cyclooctatetraene cot  
2041 C6H5CH2CH3 Ethylbenzene etbz  
2042 CH3C6H4CH3 meta-xylene mxylene  
2043 CH3C6H4CH3 paraxylene pxylene  
2044 C8H14 Bicyclo[2.2.2]octane bico222  
2045 C8H16 cyclooctane cyclooct  
2046 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2047 C8H18 Octane c8h18  
2048 C6H5CN phenyl cyanide phcn  
2049 C6H12N2 Triethylenediamine ted  
2050 C4O4-- squarate dianion c4o4--  
2051 S4N4 Tetrasulfur tetranitride s4n4  
2052 S8 Octasulfur s8  
2053 C6H4O2 parabenzoquinone pbq  
2054 C4H4N2O2 Uracil uracil  
2055 C6H5CHO benzaldehyde benzal  
2056 C6H5OCH3 Anisole anisole  
2057 C5H9NO2 Proline proline  
2058 C6H12O2 Methyl pivalate c598981  
2059 C6H12O2 Hexanoic acid hexa  
2060 C4F4 tetrafluorcyclobutadiene c4f4  
2061 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2062 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2063 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2064 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2065 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2066 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2067 C2F6 hexafluoroethane c2f6  
2068 C2Cl6 hexachloroethane c2cl6  
2069 IF7 Iodine heptafluoride if7  
2070 C6H4F2 metadifluorobenzene mdfb  
2071 C6H4F2 orthodifluorobenzene odfb  
2072 C6H4F2 1,4-difluorobenzene pdfb  
2073 C6H4Cl2 1,2-dichlorobenzene dcb12  
2074 C6H4Cl2 1,3-dichlorobenzene dcb13  
2075 C6H4Cl2 1,4-dichlorobenzene dcb14  
2076 C6H5NO nitrosobenzene bzno  
2077 C9H8 Indene indene  
2078 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2079 C9H12 n-propyl benzene prbz  
2080 C9H20 Nonane nonane  
2081 C(CN)4 tetracyanomethane c5n4  
2082 C5H4N4 purine purine  
2083 C8H7N Indole indole  
2084 C3H3N3O3 cyanuric acid cyanuric  
2085 C6H5NO2 Nitrobenzene c6h5no2  
2086 C6H5COOH benzoic acid benzo  
2087 CH3COC6H5 acetophenone acph  
2088 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2089 C3F6 hexafluoropropene c3f6  
2090 C6H3F3 Benzene trifluoride 123 bzf3a  
2091 C8H18O 1-Octanol octanol  
2092 C10H8 Azulene azu  
2093 C10H8 naphthalene naph  
2094 C10H10 bullvalene bullv  
2095 C10H16 adamantane adamantane  
2096 C6N4 Tetracyanoethylene tcne  
2097 C6N4- tetracyanoethylene anion tcne-  
2098 C10H22 Decane decane  
2099 C4F6 perfluorobutadiene c4f6  
2100 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2101 C3F8 perfluoropropane c3f8  
2102 Fe(CO)5 Iron pentacarbonyl ipc  
2103 Fe(C5H5)2 ferrocene fecp2  
2104 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2105 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2106 C12H8 Acenaphthylene acenaph  
2107 C12H8 biphenylene biph  
2108 C12H10 biphenyl biphenyl  
2109 C12H10 Heptalene heptalene  
2110 C6H12O6 Inositol inositol  
2111 C6F6 hexafluorobenzene c6f6  
2112 S2F10 disulphur decafluoride s2f10  
2113 C13H10 Fluorene fluorene  
2114 C14H10 Anthracene anth  
2115 C14H10 Phenanthrene phenanthrene  
2116 C14H14 Bibenzyl bibenzyl  
2117 C12H10N2 azobenzene azobenzene  
2118 C6H5COC6H5 benzophenone benzophenone  
2119 C16H10 Pyrene pyrene  
2120 C18H12 Tetracene tetracene  
2121 C19H16 Triphenylmethane tpm  
2122 C24H12 Coronene coronene  
2123 C60 Buckminsterfullerene c60