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 LSDA /SDD

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count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 HD Deuterium hydride 1ΣgD∞h
3 He Helium atom 1SKh
4 Li Lithium atom 2SKh
5 Li+ Lithium atom cation 1SKh
6 Na Sodium atom 2SKh
7 Na+ Sodium atom cation 1SKh
8 LiH Lithium Hydride 1ΣC∞v
9 Be Beryllium atom 1SKh
10 Be+ Beryllium atom cation 2SKh
11 Mg Magnesium atom 1SKh
12 Mg+ Magnesium atom cation 2SKh
13 B Boron atom 2PKh
14 B Boron atom 4PKh
15 B+ Boron atom cation 1SKh
16 Al Aluminum atom 2PKh
17 Al+ Aluminum atom cation 1SKh
18 C Carbon atom 3P0Kh
19 C Carbon atom 3P1Kh
20 C+ Carbon atom cation 2PKh
21 Si Silicon atom 3PKh
22 Si Silicon atom 1SKh
23 Si+ Silicon atom cation 2PKh
24 CH4 Methane 1A1Td
25 N Nitrogen atom 4SKh
26 N Nitrogen atom 2DKh
27 N+ Nitrogen atom cation 3PKh
28 P Phosphorus atom 4SKh
29 NH3 Ammonia 1A1C3v
30 O Oxygen atom 3SKh
31 O+ Oxygen atom cation 4SKh
32 S Sulfur atom 3PKh
33 DO Hydroxyl-d 2ΠC∞v
34 OH Hydroxyl radical 2ΠC∞v
35 H2O Water 1A1C2v
36 F Fluorine atom 2PKh
37 F+ Fluorine atom cation 3SKh
38 Cl Chlorine atom 2PKh
39 Cl+ Chlorine atom cation 3PKh
40 HF Hydrogen fluoride 1ΣC∞v
41 HCl Hydrogen chloride 1ΣC∞v
42 Ne Neon atom 1SKh
43 Ne+ Neon atom cation 2PKh
44 Ar Argon atom 1SKh
45 Na2 Sodium diatomic 1ΣgD∞h
46 C2H2 Acetylene 1ΣgD∞h
47 C2H4 Ethylene 1AgD2h
48 C2H6 Ethane 1A1gD3d
49 N2 Nitrogen diatomic 1ΣgD∞h
50 CO Carbon monoxide 1ΣC∞v
51 NO Nitric oxide 2ΠC∞v
52 O2 Oxygen diatomic 3ΣgD∞h
53 O2+ diatomic oxygen cation 2ΠgD∞h
54 H2CO Formaldehyde 1A1C2v
55 BF Boron monofluoride 1ΣC∞v
56 F2 Fluorine diatomic 1ΣgD∞h
57 Cl2 Chlorine diatomic 1ΣgD∞h
58 IF Iodine monofluoride 1ΣC∞v
59 ICl Iodine monochloride 1ΣC∞v
60 IBr Iodine monobromide 1ΣC∞v
61 C3H5 Allyl radical 2A2C2v
62 C3H6 Cyclopropane 1A1'D3h
63 CH2CHCH3 Propene 1A'Cs
64 CO2 Carbon dioxide 1ΣgD∞h
65 SO2 Sulfur dioxide 1A1C2v
66 BF3 Borane, trifluoro- 1A'D3h
67 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 H3+ hydrogen trimer cation h3+  
11 He- Helium atom anion he-  
12 He+ Helium atom cation he+  
13 HeH Helium hydride heh  
14 HeH+ Helium hydride cation heh+  
15 He2+ helium diatomic cation he2+  
16 Li- Lithium atom anion li-  
17 Na- Sodium atom anion na-  
18 K Potassium atom k  
19 K- Potassium atom anion k-  
20 K+ Potassium atom cation k+  
21 Cu Copper atom cu  
22 Cu- Copper atom anion cu-  
23 Cu+ Copper atom cation cu+  
24 LiH- lithium hydride anion lih-  
25 LiH+ lithium hydride cation lih+  
26 NaH sodium hydride nah  
27 NaH- sodium hydride anion nah-  
28 NaH+ sodium hydride cation nah+  
29 KH Potassium hydride kh  
30 KH+ Potassium hydrogen cation kh+  
31 CuH Copper monohydride cuh  
32 Be- Beryllium atom anion be-  
33 Mg- Magnesium atom anion mg-  
34 Ca Calcium atom ca  
35 Ca- Calcium atom anion ca-  
36 Ca+ Calcium atom cation ca+  
37 Zn Zinc atom zn  
38 Zn- Zinc atom anion zn-  
39 Zn+ Zinc atom cation zn+  
40 BeH beryllium monohydride beh  
41 BeH- berylium monohydride anion beh-  
42 BeH+ beryllium monohydride cation beh+  
43 MgH magnesium monohydride mgh  
44 MgH- magnesium monohydride anion mgh-  
45 MgH+ magnesium monohydride cation mgh+  
46 CaH Calcium monohydride cah  
47 CaH+ Calcium monohydride cation cah+  
48 TiH Titanium monohydride tih  
49 ZnH Zinc monohydride znh  
50 ZnH+ Zinc, protonated znh+  
51 BeH2 beryllium dihydride beh2  
52 BeH2+ Beryllium dihydride cation beh2+  
53 MgH2 magnesium dihydride mgh2  
54 CaH2 Calcium Hydride cah2  
55 ZnH2 Zinc hydride znh2  
56 B- Boron atom anion b-  
57 Al- Aluminum atom anion al-  
58 Sc Scandium atom sc  
59 Sc+ Scandium cation sc+  
60 Ga Gallium atom ga  
61 Ga- Gallium atom anion ga-  
62 Ga+ Gallium atom cation ga+  
63 BH Boron monohydride bh  
64 BH- boron monohydride anion bh-  
65 BH+ boron monohydride cation bh+  
66 AlH aluminum monohydride alh  
67 AlH- aluminum monohydride anion alh-  
68 AlH+ aluminum monohydride cation alh+  
69 ScH Scandium monohydride sch  
70 ScH+ Scandium monohydride cation sch+  
71 GaH Gallium monohydride gah  
72 GaH+ Gallium monohydride cation gah+  
73 BH2 boron dihydride bh2  
74 BH2- boron dihydride anion bh2-  
75 BH2+ Boron dihydride cation bh2+  
76 AlH2 aluminum dihydride alh2  
77 AlH2- aluminum dihydride anion alh2-  
78 AlH2+ aluminum dihydride cation alh2+  
79 BH3 boron trihydride bh3  
80 BH3- boron trihydride anion bh3-  
81 BH3+ boron trihydride cation bh3+  
82 AlH3 aluminum trihydride alh3  
83 AlH3- aluminum trihydride anion alh3-  
84 AlH3+ aluminum trihydride cation alh3+  
85 ScH3 Scandium trihydride sch3  
86 GaH3 Gallium trihydride gah3  
87 BH4 borohydride bh4  
88 BH4- borohydride anion bh4-  
89 AlH4- Aluminum tetrahydride anion alh4-  
90 C- Carbon atom anion c-  
91 Si- Silicon atom anion si-  
92 Ti Titanium atom ti  
93 Ti- Titanium atom anion ti-  
94 Ti+ Titanium atom cation ti+  
95 Ge Germanium atom ge  
96 Ge- Germanium anion ge-  
97 Ge+ Germanium cation ge+  
98 Sn Tin atom sn  
99 Sn+ Tin cation sn+  
100 CH Methylidyne ch  
101 CH- methylidyne anion ch-  
102 CH+ Methylidyne cation ch+  
103 SiH Silylidyne sih  
104 SiH- silicon monohydride anion sih-  
105 SiH+ silicon monohydride cation sih+  
106 GeH germylidene geh  
107 GeH+ Germaniun monohyrdide cation geh+  
108 CH2 Methylene ch2  
109 CH2- methylene anion ch2-  
110 CH2+ methylene cation ch2+  
111 SiH2 silicon dihydride sih2  
112 SiH2- silicon dihydride anion sih2-  
113 SiH2+ silicon dihydride cation sih2+  
114 GeH2 germylene geh2  
115 GeH2- germylene anion geh2-  
116 CH3 Methyl radical ch3  
117 CH3- methyl anion ch3-  
118 CH3+ methyl cation ch3+  
119 SiH3 Silyl radical sih3  
120 SiH3- Silyl anion sih3-  
121 SiH3+ Silyl cation sih3+  
122 GeH3 Germyl radical geh3  
123 GeH3+ germyl cation geh3+  
124 CD4 methane-d4 cd4  
125 CH2D2 methane-d2 ch2d2  
126 CH3D methane-d ch3d  
127 CH4- Methane anion ch4-  
128 CH4+ Methane cation ch4+  
129 CHD3 methane-d3 chd3  
130 SiH2D2 silane-d2 sih2d2  
131 SiH4 Silane sih4  
132 SiH4+ Silane cation sih4+  
133 GeH4 Germane geh4  
134 SnH4 Stannane snh4  
135 SiH5+ Silane, protonated sih5+  
136 N- Nitrogen atom anion n-  
137 P- Phosphorus atom anion p-  
138 P+ Phosphorus atom cation p+  
139 V Vanadium atom v  
140 V+ Vanadium atom cation v+  
141 As Arsenic atomic as  
142 As- Arsenic anion as-  
143 As+ Arsenic cation as+  
144 Sb Antimony atom sb  
145 NH Imidogen nh  
146 NH- Imidogen anion nh-  
147 NH+ imidogen cation nh+  
148 PH phosphorus monohydride ph  
149 PH- phosphorus monohydride anion ph-  
150 PH+ phosphorus monohydride cation ph+  
151 AsH Arsenic monohydride ash  
152 AsH+ Arsenic monohydride cation ash+  
153 SbH Antimony monohydride sbh  
154 ND2 Amidogen-d2 nd2  
155 NH2 Amino radical nh2  
156 NH2- amino anion nh2-  
157 NH2+ Amino cation nh2+  
158 PH2 Phosphino radical ph2  
159 PH2- Phosphino anion ph2-  
160 PH2+ Phosphino cation ph2+  
161 AsH2 Arsenic dihydride ash2  
162 AsH2+ Arsenic dihydride cation ash2+  
163 ND3 Ammonia-d3 nd3  
164 NH3- Ammonia anion nh3-  
165 NH3+ ammonia cation nh3+  
166 PH3 Phosphine ph3  
167 PH3+ Phosphine cation ph3+  
168 AsH3 Arsine ash3  
169 AsH3+ Arsine cation ash3+  
170 SbH3 Stibine sbh3  
171 AsH4+ Arsonium ash4+  
172 NH4 Ammonium radical nh4  
173 NH4+ ammonium cation nh4+  
174 PH4 Phosphoranyl radical ph4  
175 PH4+ phosphonium cation ph4+  
176 O- Oxygen atom anion o-  
177 S- Sulfur atom anion s-  
178 S+ Sulfur atom cation s+  
179 Cr Chromium atom cr  
180 Se Selenium atom se  
181 Se- Selenium atom anion se-  
182 Se+ Selenium atom cation se+  
183 Te Tellurium atom te  
184 Te+ Tellurium atom cation te+  
185 OH- hydroxide anion oh-  
186 OH+ hydoxyl cation oh+  
187 DS Mercapto-d ds  
188 HS Mercapto radical hs  
189 HS- mercapto anion sh-  
190 HS+ sulfur monohydride cation sh+  
191 CrH Chromium hydride crh  
192 CrH+ Chromium hydride cation crh+  
193 HSe Selenium monohydride hse  
194 HSe- selenium monohydride anion hse-  
195 HSe+ selenium monohydride cation hse+  
196 TeH Telluryl radical teh  
197 D2O Deuterium oxide d2o  
198 H2O- water anion h2o-  
199 H2O+ water cation h2o+  
200 HDO Water-d1 hdo  
201 D2S Hydrogen sulfide-d2 d2s  
202 H2S Hydrogen sulfide h2s  
203 H2S- Hydrogen sulfide anion h2s-  
204 H2S+ Hydrogen sulfide cation h2s+  
205 H2Se Hydrogen selenide h2se  
206 H2Se+ Hydrogen selenide cation h2se+  
207 H2Te Hydrogen Telluride h2te  
208 H3O+ hydronium cation h3o+  
209 H3S+ Sulfonium cation h3s+  
210 H3Se+ Hydrogen Selenide, protonated h3se+  
211 F- Fluorine atom anion f-  
212 Cl- Chlorine atom anion cl-  
213 Mn Manganese atom mn  
214 Br Bromine atom br  
215 Br- Bromine atom anion br-  
216 Br+ Bromine atom cation br+  
217 I Iodine atom iodine  
218 I- Iodine atom anion iodine-  
219 I+ Iodine atom cation iodine+  
220 DF Hydrofluoric acid-d df  
221 HF- hydrogen fluoride anion hf-  
222 HF+ hydrogen fluoride cation hf+  
223 DCl Hydrochloric acid-d dcl  
224 HCl- hydrogen chloride anion hcl-  
225 HCl+ hydrogen chloride cation hcl+  
226 HBr hydrogen bromide hbr  
227 HBr- hydrogen bromide anion hbr-  
228 HBr+ hydrogen bromide cation hbr+  
229 HI Hydrogen iodide hi  
230 HI+ Hydrogen iodide cation hi+  
231 H2F+ dihydrogen fluoride cation h2f+  
232 H2Cl+ dihydrogen monochloride cation h2cl+  
233 H2Br+ protonated hydrogen bromide h2br+  
234 H2I+ Iodonium h2i+  
235 Ne- Neon atom anion ne-  
236 Ar- Argon atom anion ar-  
237 Ar+ Argon atom cation ar+  
238 Fe Iron atom fe  
239 Kr Krypton atom kr  
240 Kr+ Krypton cation kr+  
241 Xe Xenon atom xe  
242 HeLi+ Helium Lithium cation heli+  
243 NeH neon hydrogen neh  
244 NeH+ neon hydrogen cation neh+  
245 ArH+ Argon hydride cation arh+  
246 KrH+ Protonated Krypton krh+  
247 XeH+ Xenon, protonated xeh+  
248 H2Ar H2 Ar dimer h2ar  
249 Co Cobalt atom cobalt  
250 Ni Nickel atom ni  
251 Li2 Lithium diatomic li2  
252 Li2- lithium diatomic anion li2-  
253 Li2+ lithium diatomic cation li2+  
254 NaLi lithium sodium lina  
255 NaLi- lithium sodium anion lina-  
256 NaLi+ lithium sodium cation lina+  
257 LiK Lithium Potassium lik  
258 Na2- sodium diatomic anion na2-  
259 Na2+ sodium diatomic cation na2+  
260 NaK Sodium Potassium nak  
261 NaK+ Sodium Potassium diatomic cation nak+  
262 K2 Potassium diatomic k2  
263 Cu2 Copper diatomic cu2  
264 LiBe Lithium Beryllium libe  
265 LiMg Lithium magnesium limg  
266 NaBe Sodium Beryllium nabe  
267 NaMg Sodium Magnesium namg  
268 Be2 Beryllium diatomic be2  
269 Be2- Beryllium diatomic anion be2-  
270 Be2+ Beryllium diatomic cation be2+  
271 BeMg Beryllium Magnesium bemg  
272 Mg2 Magnesium diatomic mg2  
273 Mg2- magnesium diatomic anion mg2-  
274 Mg2+ magnesium diatomic cation mg2+  
275 Ca2 Calcium diatomic ca2  
276 LiB Lithium boride lib  
277 LiAl Lithium Aluminum lial  
278 NaAl Sodium aluminum naal  
279 BeB Beryllium monoboride beb  
280 B2 Boron diatomic b2  
281 B2- Boron diatomic anion b2-  
282 B2+ Boron diatomic cation b2+  
283 BAl Boron Aluminum bal  
284 Al2 Aluminum diatomic al2  
285 Al2- aluminum diatomic anion al2-  
286 Al2+ aluminum diatomic cation al2+  
287 BGa Boron Gallium bga  
288 AlGa Aluminum Gallium alga  
289 Ga2 Gallium diatomic ga2  
290 HBBH Diborane(2) hbbh  
291 LiBH4 Lithium borohydride libh4  
292 B2H4 Diborane(4) D2d b2h4  
293 HBHHBH Diborane(4) C2V hbhhbh  
294 B2H6 Diborane b2h6  
295 B2H6+ Diborane cation b2h6  
296 Al2H6 dialane al2h6  
297 Ga2H6 digallane ga2h6  
298 LiC Lithium Carbide lic  
299 BeC Beryllium Carbide bec  
300 CaC Calcium monocarbide cac  
301 BC boron monocarbide bc  
302 BC- boron monocarbide anion bc-  
303 BC+ boron monocarbide cation bc+  
304 AlC Aluminum carbide alc  
305 BSi Boron silicide bsi  
306 C2 Carbon diatomic c2  
307 C2- carbon diatomic anion c2-  
308 C2+ carbon diatomic cation c2+  
309 SiC silicon monocarbide sic  
310 SiC- silicon monocarbide anion sic-  
311 SiC+ silicon monocarbide cation sic+  
312 Si2 Silicon diatomic si2  
313 Si2- silcon diatomic anion si2-  
314 Si2+ silcon diatomic cation si2+  
315 GeC Germanium monocarbide gec  
316 SiGe Silicon Germanium sige  
317 Ge2 Germanium diatomic ge2  
318 C2H Ethynyl radical c2h  
319 C2H- Ethynyl anion c2h-  
320 C2H+ Ethynyl cation c2h+  
321 ZnCH2 Zinc methylene znch2  
322 C2H2+ acetylene cation c2h2+  
323 CCH2 vinylidene vinylidene  
324 H2CC- vinylidene anion h2cc-  
325 HCCH- acetylene anion c2h2-  
326 Si2H2 disilyne si2h2  
327 CH3Li methyl lithium ch3li  
328 CuCH3 monomethyl copper cuch3  
329 ZnCH3 Zinc monomethyl znch3  
330 CH2BH methyleneborane ch2bh  
331 C2H3 vinyl c2h3  
332 C2H3- vinyl anion c2h3-  
333 C2H3+ vinyl cation c2h3+  
334 C2H4- Ethylene anion c2h4-  
335 C2H4+ Ethylene cation c2h4+  
336 CH3CH methylmethylene ch3ch  
337 CH2SiH2 silaethylene ch2sih2  
338 Si2H4 Disilene si2h4  
339 CH3BH2 methylborane ch3bh2  
340 C2H5 Ethyl radical c2h5  
341 C2H5- Ethyl anion c2h5-  
342 C2H5+ Ethyl cation c2h5+  
343 C2H6+ ethane cation c2h6+  
344 CH3SiH3 methyl silane ch3sih3  
345 Si2H6 disilane si2h6  
346 GeH3CH3 methyl germane geh3ch3  
347 C2H7+ Ethane, protonated c2h7+  
348 LiN Lithium Nitride lin  
349 LiN+ Lithium Nitride cation lin+  
350 LiP Lithium monophosphide lip  
351 BeN Beryllium mononitride ben  
352 BeN- Beryllium mononitride anion ben-  
353 BeN+ Beryllium mononitride cation ben+  
354 MgN Magnesium Nitride mgn  
355 BN- boron nitride anion bn-  
356 AlN- aluminum mononitride anion aln-  
357 AlN+ aluminum mononitride cation aln+  
358 BP Boron monophosphide bp  
359 AlP Aluminum monophosphide alp  
360 GaN Gallium mononitride gan  
361 GaP Gallium monophosphide gap  
362 GaAs Gallium arsenide gaas  
363 BN boron nitride bn  
364 BN+ boron nitride cation bn+  
365 AlN Aluminum nitride aln  
366 CN Cyano radical cn  
367 CN- cyanide anion cn-  
368 CN+ Cyano cation cn+  
369 CP Carbon monophosphide cp  
370 CP- carbon monophosphide anion cp-  
371 CP+ carbon monophosphide cation cp+  
372 SiN Silicon nitride sin  
373 SiN- silicon mononitride anion sin-  
374 SiN+ silicon mononitride cation sin+  
375 SiP Silicon monophosphide sip  
376 SiP- Silicon monophosphide anion sip-  
377 SiP+ Silicon monophosphide cation sip+  
378 TiN Titanium mononitride tin  
379 N2- nitrogen diatomic anion n2-  
380 N2+ diatomic nitrogen cation n2+  
381 PN Phosphorus mononitride pn  
382 PN- phosphorus nitride anion pn-  
383 PN+ phosphorus nitride cation pn+  
384 P2 Phosphorus diatomic p2  
385 P2- phosphorus diatomic anion p2-  
386 P2+ phosphorus diatomic cation p2+  
387 AsN Arsenic mononitride asn  
388 AsP Arsenic monophosphide asp  
389 SbN Antimony nitride sbn  
390 As2 Arsenic diatomic as2  
391 HNB hydrogen nitrogen boron hnb  
392 HNC hydrogen isocyanide hnc  
393 HCN Hydrogen cyanide hcn  
394 HCN- Hydrogen cyanide anion hcn-  
395 HCN+ hydrogen cyanide cation hcn+  
396 HNC+ hydrogen isocyanide cation hnc+  
397 HCP Phosphaethyne hcp  
398 HCP+ Phosphaethyne cation hcp+  
399 NNH Dinitrogen monohydride nnh  
400 NNH+ Dinitrogen monohydride cation nnh+  
401 HPO Hydrogen phosphorus oxide hpo  
402 HPO+ Hydrogen phosphorus oxide cation hpo+  
403 LiNH2 lithium amide linh2  
404 HBNH Boranimine hbnh  
405 CNH2 Aminomethylidyne radical cnh2  
406 CNH2+ N-protonated hydrogen isocyanide cnh2+  
407 H2CN Dihydrogen cyanide radical h2cn  
408 H2CN+ hydrocyanonium cation h2cn+  
409 HCNH methyleneazane hcnh  
410 HCNH+ N-protonated HCN hcnh+  
411 H2NN Isodiazene h2nn  
412 N2H2 (E)-diazene n2h2  
413 N2H2 (Z)-Diazene n2h2z  
414 N2H2+ trans-diazene cation n2h2+  
415 CH2NH Methanimine ch3n  
416 CH2NH+ Methanimine cation ch2nh+  
417 CHNH2 aminomethylene chnh2  
418 CHNH2+ Aminocarbene cation chnh2+  
419 CH2PH Phosphaethene ch3p  
420 BH2NH2 Boranamine bh2nh2  
421 CH2NH2+ methyleneamine cation ch2nh2+  
422 N2H4 Hydrazine n2h4  
423 N2H4+ hydrazine cation n2h4+  
424 P2H4 Diphosphine p2h4  
425 CH3NH2 methyl amine ch3nh2  
426 CH3NH2+ methyl amine cation ch3nh2+  
427 CH3PH2 Methyl phosphine ch3ph2  
428 SiH3NH2 Silane, amino sih3nh2  
429 N2H5+ protonated hydrazine n2h5+  
430 BH3PH3 borane phosphine bh3ph3  
431 BH3NH3 borane ammonia bh3nh3  
432 CH3NH3 methyl ammonium radical ch3nh3  
433 CH3NH3+ protonated methylamine ch3nh3+  
434 CH3PH3+ methyl phosphine, protonated ch3ph3+  
435 NH3NH3 Ammonia Dimer nh3nh3  
436 N2H7+ ammonia ammonium dimer n2h7+  
437 LiO lithium oxide lio  
438 LiO- lithium oxide anion lio-  
439 LiO+ lithium oxide cation lio+  
440 LiS Lithium monosulfide lis  
441 LiS+ Lithium sulfide cation lis+  
442 NaO sodium monoxide nao  
443 NaO- sodium oxide anion nao-  
444 NaO+ sodium oxide cation nao+  
445 KO Potassium monoxide ko  
446 KO+ Potassium monoxide cation ko+  
447 NaS Sodium sulfide nas  
448 CuO Copper Monoxide cuo  
449 LiSe Lithium monoselenide lise  
450 BeO beryllium oxide beo  
451 BeO- Beryllium monoxide anion beo-  
452 BeO+ Beryllium monoxide cation beo+  
453 BeS beryllium sulfide bes  
454 MgO magnesium oxide mgo  
455 MgO- magnesium oxide anion mgo-  
456 MgO+ magnesium oxide cation mgo+  
457 CaO Calcium monoxide cao  
458 MgS magnesium sulfide mgs  
459 MgS- magnesium sulfide anion mgs-  
460 MgS+ magnesium sulfide cation mgs+  
461 CaS Calcium sulfide cas  
462 ZnO zinc monoxide zno  
463 ZnS Zinc sulfide zns  
464 BeS- Beryllium monosulfide anion bes-  
465 BeS+ Beryllium monosulfide cation bes+  
466 BO boron monoxide bo  
467 BO- boron monoxide anion bo-  
468 AlO Aluminum monoxide alo  
469 AlO- Aluminum monoxide anion alo-  
470 AlO+ aluminum monoxide cation alo+  
471 BS boron sulfide bs  
472 BS- boron monosulfide anion bs-  
473 BS+ boron monosulfide cation bs+  
474 AlS Aluminum sulfide als  
475 AlS- aluminum monosulfide anion als-  
476 AlS+ aluminum monosulfide cation als+  
477 ScO Scandium monoxide sco  
478 GaO Gallium monoxide gao  
479 GaS Gallium monosulfide gas  
480 BO+ boron monoxide cation bo+  
481 CO- carbon monoxide anion co-  
482 CO+ carbon monoxide cation co+  
483 CS carbon monosulfide cs  
484 CS- carbon monosulfide anion cs-  
485 CS+ carbon monosulfide cation cs+  
486 SiO Silicon monoxide sio  
487 SiO- silicon monoxide anion sio-  
488 SiO+ silicon monoxide cation sio+  
489 SiS silicon monosulfide sis  
490 SiS- silicon monosulfide anion sis-  
491 SiS+ silicon monosulfide cation sis+  
492 TiO Titanium monoxide tio  
493 CSe Carbon monoselenide cse  
494 CSe- Carbon monoselenide anion cse-  
495 CSe+ Carbon monoselenide cation cse+  
496 GeO Germanium monoxide geo  
497 GeO+ Germanium monoxide cation geo+  
498 GeS Germanium monosulfide ges  
499 SiSe Silicon Monoselenide sise  
500 SiSe+ Silicon Monoselenide cation sise+  
501 GeSe Germanium monoselenide gese  
502 NO- nitric oxide anion no-  
503 NO+ nitric oxide cation no+  
504 NS Mononitrogen monosulfide ns  
505 NS- nitrogen sulfide anion ns-  
506 NS+ nitrogen sulfide cation ns+  
507 PO Phosphorus monoxide po  
508 PO- phosphorus monoxide anion po-  
509 PO+ phosphorus monoxide cation po+  
510 PS phosphorus sulfide ps  
511 PS- phosphorus monosulfide anion ps-  
512 PS+ phosphorus monosulfide cation ps+  
513 VO Vanadium monoxide vo  
514 AsO Arsenic monoxide aso  
515 NSe Nitrogen monoselenide nse  
516 AsS Arsenic monosulfide ass  
517 PSe Phosphorus monoselenide pse  
518 AsSe Arsenic monoselenide asse  
519 O2- oxygen diatomic anion o2-  
520 O2-- dioxygen dianion o2--  
521 SO Sulfur monoxide so  
522 SO- sulfur monoxide anion so-  
523 SO+ sulfur monoxide cation so+  
524 S2 Sulfur diatomic s2  
525 S2- sulfur diatomic anion s2-  
526 S2+ sulfur diatomic cation s2+  
527 SeO Selenium monoxide seo  
528 SeO- selenium monoxide anion seo-  
529 SeO+ selenium monoxide cation seo+  
530 SeS Selenium monosulfide ses  
531 SeS- selenium monosulfide anion ses-  
532 SeS+ selenium monosulfide cation ses+  
533 TeO Tellurium monoxide teo  
534 Se2 Selenium diatomic se2  
535 Se2- selenium diatomic anion se2-  
536 Se2+ selenium diatomic cation se2+  
537 Te2 Tellurium diatomic te2  
538 LiOH lithium hydroxide lioh  
539 NaOH sodium hydroxide naoh  
540 KOH Potassium hydroxide koh  
541 BeOH beryllium monohydroxide beoh  
542 MgOH magnesium hydroxide mgoh  
543 CaOH Calcium monohydroxide caoh  
544 HBO Boron hydride oxide hbo  
545 HBS hydrogen boron sulfide hbs  
546 COH Hydroxymethylidyne coh  
547 COH+ Carbon Monoxide, protonated coh+  
548 HCO Formyl radical hco  
549 HCO- formyl anion hco-  
550 HCO+ Formyl cation hco+  
551 HCS Thioformyl radical hcs  
552 HCS- Thioformyl anion hcs-  
553 HCS+ Thioformyl cation hcs+  
554 HNO Nitrosyl hydride hno  
555 HNO- Nitrosyl hydride anion hno-  
556 HNO+ Nitrosyl hydride cation hno+  
557 NOH Hydroxyimidogen noh  
558 NOH+ O-protonated nitric oxide noh+  
559 HNS Sulfur imide hns  
560 HNS- Sulfur imide anion hns-  
561 HO2 Hydroperoxy radical ho2  
562 HO2- Hydroperoxy anion ho2-  
563 HO2+ Hydroperoxy cation ho2+  
564 HSO+ Sulfur Monoxide, S-protonated HSO+  
565 SOH Sulfur Hydroxide soh  
566 SOH+ Sulfur Monoxide, protonated soh+  
567 HS2 Thiosulfeno radical hs2  
568 H2CO- formaldehyde anion h2co-  
569 H2CO+ formaldehyde cation h2co+  
570 HOCH hydroxycarbene hoch  
571 H2CS Thioformaldehyde h2cs  
572 H2CS- thioformaldehyde anion h2cs-  
573 H2CS+ thioformaldehyde cation h2cs+  
574 H2CSe Selenoformaldehyde h2cse  
575 H2NO nitroxide h2no  
576 H2O2 Hydrogen peroxide h2o2  
577 H2O2+ Hydrogen peroxide cation h2o2+  
578 H2OO water oxide h2oo  
579 HOSH hydrogen thioperoxide hosh  
580 H2S2 Disulfane h2s2  
581 H2S2+ hydrogen disulfide cation h2s2+  
582 H2Se2 hydrogen diselenide h2se2  
583 CH2OH Hydroxymethyl radical ch2oh  
584 CH2OH+ hydroxymethyl cation ch2oh+  
585 CH3O Methoxy radical ch3o  
586 CH3O- methoxy anion ch3o-  
587 CH3O+ Methoxy cation ch3o+  
588 CH3S thiomethoxy ch3s  
589 H2CSH+ Thioformaldehyde, protonated h2csh+  
590 NH2OH hydroxylamine nh2oh  
591 NH2OH+ Hydroxylamine cation nh2oh+  
592 NH3O Ammonia Oxide nh3o  
593 H2POH Phosphinous acid h2poh  
594 H3PO Phosphine oxide h3po  
595 NH2SH Thiohydroxylamine nh2sh  
596 NH3S sulfidoazane nh3s  
597 H3O2+ hydrogen peroxide, protonated h3o2+  
598 CH3OH Methyl alcohol ch3oh  
599 CH3OH- Methyl alcohol anion ch3oh-  
600 CH3OH+ Methyl alcohol cation ch3oh+  
601 CH3SH Methanethiol ch3sh  
602 CH3SH+ Methanethiol cation ch3sh+  
603 SiH3OH silanol sih3oh  
604 CH3SeH Methane selenol ch3seh  
605 NH2OH2+ protonated hydroxylamine nh2oh2+  
606 NH3OH+ N-protonated hydroxylamine nh3oh+  
607 H2OH2O water dimer h2oh2o  
608 CH3OH2+ Methanol, protonated ch3oh2+  
609 CH3SH2+ protonated methylsulfide ch3sh2+  
610 H2ONH3 Water Ammonia Dimer h2onh3  
611 H5O2+ Dihydroxonium ion h5o2+  
612 LiF lithium fluoride lif  
613 LiCl lithium chloride licl  
614 LiCl- lithium chloride anion licl-  
615 LiCl+ lithium chloride cation licl+  
616 NaF sodium fluoride naf  
617 NaF- sodium fluoride anion naf-  
618 NaF+ sodium fluoride cation naf+  
619 KF Potassium Fluoride kf  
620 NaCl Sodium Chloride nacl  
621 NaCl- sodium chloride anion nacl-  
622 NaCl+ sodium chloride cation nacl+  
623 KCl Potassium Chloride kcl  
624 CuF Copper monofluoride cuf  
625 LiBr Lithium Bromide libr  
626 LiBr- lithium bromide anion libr-  
627 LiBr+ lithium bromide cation libr+  
628 CuCl Copper monochloride cucl  
629 NaBr Sodium Bromide nabr  
630 NaBr- sodium bromide anion nabr-  
631 NaBr+ sodium bromide cation nabr+  
632 KBr Potassium Bromide kbr  
633 LiI Lithium Iodide lii  
634 NaI Sodium Iodide nai  
635 KI Potassium Iodide ki  
636 LiF- lithium fluoride anion lif-  
637 LiF+ lithium fluoride cation lif+  
638 BeF Beryllium monofluoride bef  
639 BeF- Beryllium monofluoride anion bef-  
640 BeF+ Beryllium monofluoride cation bef+  
641 BeCl beryllium monochloride becl  
642 MgF Magnesium monofluoride mgf  
643 MgF- magnesium fluoride anion mgf-  
644 MgF+ magnesium fluoride cation mgf+  
645 CaF Calcium monofluoride caf  
646 MgCl magnesium monochloride mgcl  
647 MgCl- magnesium monochloride anion mgcl-  
648 MgCl+ magnesium monochloride cation mgcl+  
649 CaCl calcium monochloride cacl  
650 TiCl Titanium Monochloride ticl  
651 ZnF Zinc monofluoride znf  
652 ZnF- Zinc monofluoride anion znf-  
653 ZnF+ Zinc monofluoride cation znf+  
654 ZnCl Zinc monochloride zncl  
655 CaBr Calcium monobromide cabr  
656 BeCl- beryllium monochloride anion becl-  
657 BeCl+ beryllium monochloride cation becl+  
658 BF- Boron monofluoride anion bf-  
659 BF+ Boron monofluoride cation bf+  
660 AlF Aluminum monofluoride alf  
661 AlF- Aluminum monofluoride anion alf-  
662 AlF+ Aluminum monofluoride cation alf+  
663 BCl boron monochloride bcl  
664 BCl- boron monochloride anion bcl-  
665 BCl+ boron monochloride cation bcl+  
666 AlCl Aluminum monochloride alcl  
667 AlCl- aluminum monochloride anion alcl-  
668 AlCl+ aluminum monochloride cation alcl+  
669 ScF Scandium monofluoride scf  
670 BBr Boron monobromide bbr  
671 GaF Gallium monofluoride gaf  
672 GaF+ Gallium monofluoride cation gaf+  
673 AlBr Aluminum monobromide albr  
674 GaCl Gallium monochloride gacl  
675 GaCl+ Gallium monochloride cation gacl+  
676 AlI Aluminum monoiodide ali  
677 GaBr Gallium monobromide gabr  
678 CF Fluoromethylidyne cf  
679 CF- carbon monofluoride anion cf-  
680 CF+ carbon monofluoride cation cf+  
681 CCl carbon monochloride ccl  
682 CCl- carbon monochloride anion ccl-  
683 CCl+ carbon monochloride cation ccl+  
684 SiF silicon monofluoride sif  
685 SiF- silicon monofluoride anion sif-  
686 SiF+ silicon monofluoride cation sif+  
687 SiCl Clorosilylidyne sicl  
688 SiCl- silicon monochloride anion sicl-  
689 SiCl+ silicon monochloride cation sicl+  
690 CBr Carbon monobromide cbr  
691 GeF Germanium monofluoride gef  
692 GeF+ Germanium monofluoride cation gef+  
693 GeCl Germanium monochloride gecl  
694 GeCl+ Germanium monochloride cation gecl+  
695 SiBr Silicon monobromide sibr  
696 SiBr+ Silicon monobromide cation sibr+  
697 NF nitrogen fluoride nf  
698 NF- nitrogen monofluorine anion nf-  
699 NF+ nitrogen monofluoirde cation nf+  
700 NCl nitrogen monochloride ncl  
701 NCl- nitrogen monochloride anion ncl-  
702 NCl+ nitrogen monochloride cation ncl+  
703 PF phosphorus monofluoride pf  
704 PF- phosphorus monofluoride anion pf-  
705 PF+ phosphorus monofluoride cation pf+  
706 PCl phosphorus chloride pcl  
707 PCl- phosphorus monochloride anion pcl-  
708 PCl+ phosphorus monochloride cation pcl+  
709 AsF Arsenic monofluoride asf  
710 NBr nitrogen monobromide nbr  
711 AsCl Arsenic monochloride ascl  
712 PBr Phosphorus monobromide pbr  
713 SbF Antimony monofluoride sbf  
714 SbCl Antimony monochloride sbcl  
715 FO Oxygen monofluoride fo  
716 FO- flourine oxide anion fo-  
717 FO+ fluorine monoxide cation fo+  
718 ClO Monochlorine monoxide clo  
719 ClO- chlorine monoxide anion clo-  
720 ClO+ chlorine monoxide cation clo+  
721 SF Monosulfur monofluoride sf  
722 SF- sulfur monofluoride anion sf-  
723 SF+ sulfur monofluoride cation sf+  
724 SCl sulfur monochloride scl  
725 SCl- sulfur monochloride anion scl-  
726 SCl+ sulfur monochloride cation scl+  
727 BrO Bromine monoxide bro  
728 BrO- Bromine monoxide anion bro-  
729 BrO+ Bromine monoxide cation bro+  
730 SeF Selenium monofluoride sef  
731 SBr Sulfur monobromide radical sbr  
732 SBr+ Sulfur monobromide cation sbr+  
733 SeCl Selenium monochloride secl  
734 IO Iodine monoxide io  
735 SeBr Selenium monobromide sebr  
736 BrCl Bromine monochloride brcl  
737 F2- flourine diatomic anion f2-  
738 F2+ flourine diatomic cation f2+  
739 ClF Chlorine monofluoride clf  
740 ClF- clorine monofluoride anion clf-  
741 ClF+ clorine monofluoride cation clf+  
742 Cl2- chlorine diatomic anion cl2-  
743 Cl2+ chlorine diatomic cation cl2+  
744 BrF Bromine monofluoride brf  
745 BrF- bromine fluoride anion brf-  
746 BrF+ bromine fluoride cation brf+  
747 BrCl- bromine chloride anion brcl-  
748 BrCl+ bromine chloride cation brcl+  
749 Br2 Bromine diatomic br2  
750 Br2- bromine diatomic anion br2-  
751 Br2+ bromine diatomic cation br2+  
752 I2 Iodine diatomic i2  
753 I2+ Iodine diatomic cation i2+  
754 HCF Fluoromethylene hcf  
755 HCCl Chloromethylene hccl  
756 HSiF fluorosilylene hsif  
757 HSiCl Chlorosilylene hsicl  
758 HSiBr monobromosilylene hsibr  
759 CHBr bromomethylene chbr  
760 HOF Hypofluorous acid hfo  
761 DOCl Hypochlorous acid-d docl  
762 HOCl hypochlorous acid hocl  
763 HOCl+ hypochlorous acid cation hocl+  
764 HOBr Hypobromous acid hobr  
765 HOBr+ Hypobromous acid cation hobr+  
766 HOI Hypoiodous acid hoi  
767 F2H+ Fluorine, protonated f2h+  
768 FHF Hydrogen difluoride fhf  
769 FHF- Hydrogen difluoride anion fhf-  
770 ClFH+ Chlorine fluoride, F-protonated clfh+  
771 FClH+ Chlorine fluoride, Cl-protonated fclh+  
772 Cl2H+ Chlorine, protonated cl2h+  
773 CH2Br bromomethyl radical ch2br  
774 CH2F fluoromethyl radical ch2f  
775 CH2F+ fluoromethyl cation ch2f+  
776 CH2Cl+ chloromethyl cation ch2cl+  
777 CH2Cl chloromethyl radical ch2cl  
778 NH2F monofluoroamine nh2f  
779 NH2Cl chloramine nh2cl  
780 H2F2 Hydrogen fluoride dimer h2f2  
781 CH3F+ methyl fluoride cation ch3f+  
782 CD3F methylfluoride-d3 cd3f  
783 CH3F Methyl fluoride ch3f  
784 CD3Cl methyl chloride d3 cd3cl  
785 CH3Cl Methyl chloride ch3cl  
786 CH3Cl+ Methyl chloride cation ch3cl+  
787 SiH3F monofluorosilane sih3f  
788 SiH3Cl chlorosilane sih3cl  
789 CH3Br methyl bromide ch3br  
790 GeH3F monofluorogermane geh3f  
791 GeH3Cl monochlorogermane geh3cl  
792 SiH3Br bromosilane sih3br  
793 CH3I methyl iodide ch3i  
794 SiH3I Silyl Iodide sih3i  
795 NH3Cl+ protonated monochloroammonia nh3cl+  
796 CH3ClH+ methyl chloride, protonated ch3clh+  
797 NH4Cl Ammonium chloride nh4cl  
798 LiNe+ Lithium Neon cation line+  
799 Ne2 Neon diatomic ne2  
800 Ne2+ Neon diatomic cation ne2+  
801 Ar2 Argon diatomic ar2  
802 Ar2+ Argon diatomic cation ar2+  
803 Li3 Lithium trimer li3  
804 Li3+ Lithium trimer cation li3+  
805 C3 carbon trimer c3  
806 C3+ carbon trimer cation c3+  
807 SiC2 Silicon dicarbide sic2  
808 C3H3 cyclopropenyl radical cpr  
809 C3H3 Propargyl radical propargyl  
810 C3H3- Propargyl anion c3h3-  
811 C3H3+ cyclopropenyl cation cpr+  
812 C3H3+ Propargyl cation c3h3+  
813 C3H4 cyclopropene cprop  
814 CH2CCH2 allene allene  
815 CH3CCH propyne propyne  
816 C3H5+ Allyl cation allyl+  
817 CH3CHCH 1-propenyl radical ch3chch  
818 Zn(CH3)2 dimethyl zinc dmz  
819 C3H7 n-Propyl radical npropyl  
820 C3H7+ cyclopropane, protonated c3h7+  
821 CH3CHCH3 Isopropyl radical isopropyl  
822 CH3CHCH3+ Isopropyl cation prop2yl+  
823 C3H8 Propane propane  
824 SiH2(CH3)2 dimethylsilane dms  
825 Si3H8 trisilane si3h8  
826 LiCN lithium cyanide licn  
827 NaCN Sodium Cyanide nacn  
828 KCN Potassium cyanide kcn  
829 CuCN Copper cyanide cucn  
830 ZnCN Zinc monocyanide zncn  
831 ZnNC Zinc isocyanide znnc  
832 AlCN Aluminum monocyanide alcn  
833 AlNC Aluminum isocyanide alnc  
834 CN2 3H-Diazirin-3-ylidene cn2  
835 CNN Diazocarbene cnn  
836 NCN Cyanoimidogen ncn  
837 N3 azide radical n3  
838 N3- azide anion n3-  
839 N3+ azide cation n3+  
840 HCCN cyanomethylene hccn  
841 HCNN diazomethyl radical hcnn  
842 HN3 hydrogen azide hn3  
843 HN3+ Hydrazoic acid cation hn3+  
844 HNCNH diiminomethane hncnh  
845 CH2N2 diazirine ch2n2  
846 CH2NN diazomethane ch2nn  
847 NH2CN cyanamide cyanamide  
848 HNNNH+ 1,2-Triazadienium n2h3+  
849 NH2NN+ hydrazoic acid, protonated nh2nn+  
850 CH3CN Acetonitrile ch3cn  
851 CH3CN- acetonitrile anion ch3cn-  
852 CH3CN+ Acetonitrile cation ch3cn+  
853 CH3NC methyl isocyanide ch3nc  
854 CHNCH2 2H-Azirine c157164  
855 CHNHCH 1H-Azirine chnhch  
856 H2CCNH Ethenimine ch2cnh  
857 H2CNCH methyleneaminomethylene ch2nch  
858 HCCNH2 Ethynamine hccnh2  
859 HCNCH2+ 2H-Azirine cation hcnch2+  
860 HNCNH2+ diiminomethane, protonated hncnh2+  
861 NCNH3+ Cyanamide, protonated ncnh3+  
862 NH2CNH+ cyanamide, cn protonated nh2cnh+  
863 NH3CN+ cyanamide, amine protonated nh3cn+  
864 CH2CHNH vinylazine ch2chnh  
865 CH3CHN methylmethaniminyl radical ch3chn  
866 NHCHNH2 aminomethanimine cn2h4  
867 C2H5N Aziridine c2h5n  
868 CH2CHNH2 aminoethene aminoethene  
869 CH2NCH3 N-methylmethanimine nmm  
870 CH3CHNH ethanimine ethanimine  
871 NH2BHNH2 diaminoborane nh2bhnh2  
872 C2H5NH+ Protonated Aziridine c2h5nh+  
873 C2H6N+ aziridine, protonated c2h6n+  
874 NH2CH2NH2 diaminomethane nh2ch2nh2  
875 CH3CH2NH2 Ethylamine etam  
876 CH3NHCH3 Dimethylamine ch3nhch3  
877 CH3PHCH3 dimethylphosphine ch3phch3  
878 NH2CH2NH3+ diaminoethane, protonated pdam  
879 (CH3)2NH2+ dimethylammonium cation dmam  
880 CH3CH2NH3+ ethylamine, protonated pea  
881 Li2O dilithium oxide li2o  
882 Li2O+ dilithium oxide cation li2o+  
883 Li2S dilithium sulfide li2s  
884 Na2O disodium monoxide na2o  
885 Na2S Sodium sulfide na2s  
886 LiO2 Lithium dioxide lio2  
887 NaO2 Sodium superoxide nao2  
888 CCO Dicarbon monoxide cco  
889 CNO- fulminate cno-  
890 NCO isocyanato radical nco  
891 NCO- cyanate nco-  
892 SCN thiocyanato radical scn  
893 SCN- thiocyanide anion scn-  
894 BO2 Boron dioxide bo2  
895 BO2- Boron dioxide anion bo2-  
896 BO2+ Boron dioxide cation bo2+  
897 N2O Nitrous oxide n2o  
898 N2O- Nitrous oxide anion n2o-  
899 N2O+ Nitrous oxide cation n2o+  
900 NNS Nitrogen sulfide nns  
901 PPO Phosphorus oxide phosphide ppo  
902 CO2- Carbon dioxide anion co2-  
903 CO2+ Carbon dioxide cation co2+  
904 OCS Carbonyl sulfide cos  
905 OCS+ Carbonyl sulfide cation cos+  
906 SiO2 silicon dioxide sio2  
907 CS2 Carbon disulfide cs2  
908 CS2- Carbon disulfide anion cs2-  
909 CS2+ Carbon disulfide cation cs2+  
910 TiO2 Titanium dioxide tio2  
911 SiS2 Silicon disulfide sis2  
912 GeO2 Germanium dioxide geo2  
913 OCSe Carbonyl selenide ocse  
914 SCSe Carbon sulfide selenide scse  
915 GeS2 Germanium disulfide ges2  
916 CSe2 Carbon diselenide cse2  
917 SCTe Carbon sulfide Telluride scte  
918 NO2 Nitrogen dioxide no2  
919 NO2- Nitrogen dioxide anion no2-  
920 NO2+ Nitrogen dioxide cation no2+  
921 NSO sulfinyl amidogen NSO  
922 PO2 Phosphorus dioxide po2  
923 PO2- Phosphorus dioxide anion po2-  
924 PO2+ Phosphorus dioxide cation po2+  
925 SNO Nitrogen oxide sulfide sno  
926 AsO2 Aresenic dioxide aso2  
927 O3 Ozone o3  
928 O3- Ozone anion o3-  
929 O3+ Ozone cation o3+  
930 SO2- Sulfur dioxide anion so2-  
931 SO2+ Sulfur dioxide cation so2+  
932 SSO Disulfur monoxide sso  
933 S3 Sulfur trimer s3  
934 S3- Sulfur trimer anion s3-  
935 S3+ Sulfur trimer cation s3+  
936 SeO2 Selenium dioxide seo2  
937 SeO2+ Selenium dioxide cation seo2+  
938 TeO2 Tellurium Dioxide teo2  
939 HCCO ketenyl radical ketenyl  
940 CS2H+ Carbon disulfide, protonated cs2h+  
941 HCNO fulminic acid hcno  
942 HNCO Isocyanic acid hnco  
943 HOCN cyanic acid hocn  
944 HNCS Isothiocyanic acid hncs  
945 HSCN thiocyanic acid hscn  
946 HCO2- formate anion hco2-  
947 HNNO nitrosoazane hnno  
948 HNNO+ Nitrous oxide, N-protonated hnno+  
949 NNOH+ Nitrous Oxide, O-protonated nnoh+  
950 HCOO formate neutral radical hcoo  
951 HOCO Hydrocarboxyl radical hoco  
952 HOCO+ Hydrocarboxyl cation hoco+  
953 HNO2 Nitrous acid hno2  
954 HNO2+ nitrous acid cation hno2+  
955 O3H+ protonated ozone o3h+  
956 SO2H+ protonated sulfur dioxide so2h+  
957 C2H2O Oxirene oxirene  
958 CH2CO Ketene ch2co  
959 CH2CO+ Ketene cation ch2co+  
960 HCCOH ethynol hccoh  
961 CH2CS Thioketene ch2cs  
962 Be(OH)2 Beryllium hydroxide beo2h2  
963 Mg(OH)2 Magnesium dihydroxide h2mgo2  
964 NH2NO Nitrosamide nh2no  
965 CH2O2 Dioxirane diox  
966 H2COO Dioxymethyl radical h2coo  
967 H2COO+ dioxymethyl cation h2coo+  
968 HCOOH Formic acid ch2o2  
969 H2O3 Hydrogen trioxide h2o3  
970 HSSSH trisulfane hsssh  
971 NaOCH3 Sodium methoxide naoch3  
972 CH2BOH hydroxy(methylene)borane ch2boh  
973 BH3CO Borane carbonyl bh3co  
974 CH3BO Borane, methyloxo- ch3bo  
975 CH2CHO Vinyloxy radical ch2cho  
976 CH2COH+ ketene, protonated ch2coh+  
977 CH3CO Acetyl radical ch3co  
978 CH3CO- Acetyl anion ch3co-  
979 CH3CO+ acetyl cation ch3co+  
980 CH2NOH formaldoxime ch2noh  
981 CH3NO nitrosomethane ch3no  
982 CHONH2 formamide formamide  
983 CNOH3 1,2-oxaziridine cnoh3  
984 HOCHNH hydroxymethylimine hochnh  
985 CHSNH2 thioformamide chsnh2  
986 NHCHSH Methanimidothioic acid nhchsh  
987 CH2OOH CH2OOH radical ch2ooh  
988 CH3OO methylperoxy radical ch3oo  
989 CH3OO- methylperoxy anion ch3oo-  
990 CH3OO+ methylperoxy cation ch3oo+  
991 C2H4O Ethylene oxide c2h4o  
992 C2H4O+ ethylene oxide cation c2h4o+  
993 CH2CHOH ethenol ch2choh  
994 CH3CHO Acetaldehyde ch3cho  
995 CH3CHO+ acetaldehyde cation ch3cho+  
996 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
997 C2H4S Thiirane thiirane  
998 CH2CHSH Ethenethiol ch2chsh  
999 CH3CHS Thioacetaldehyde ch3chs  
1000 H2CONH2+ protonated formamide h2conh2+  
1001 NH2CHOH+ Formamide, O-protonated nh2choh+  
1002 NH3CHO+ Formamide, N-Protonated nh3cho+  
1003 CH2(OH)2 methanediol ch2o2h2  
1004 CH3OOH Methyl peroxide ch3ooh  
1005 CH3SSH Hydrogen methyl disulfide ch3ssh  
1006 HSCH2SH Methanedithiol ch4s2  
1007 H2OH2CO water formaldehyde dimer h2oh2co  
1008 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1009 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1010 CH3CH2O Ethoxy radical ethoxy  
1011 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1012 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1013 CH3OCH2 methoxymethyl radical ch3och2  
1014 NH2CH2OH aminomethanol nh2ch2oh  
1015 CH3CH2OH Ethanol etoh  
1016 CH3OCH3 Dimethyl ether meome  
1017 CH3CH2SH ethanethiol etsh  
1018 CH3SCH3 Dimethyl sulfide mesme  
1019 CH3SCH3+ dimethyl sulfide cation mesme+  
1020 CH3SeCH3 dimethylselenide dmse  
1021 CH3OHH2O methanol water dimer ch3ohh2o  
1022 H2OCH3OH water methanol dimer h2och3oh  
1023 CuF2 Copper difluoride cuf2  
1024 ZnF2 Zinc difluoride znf2  
1025 CNF iso cyanogen fluoride cnf  
1026 FCN Cyanogen fluoride fcn  
1027 ClCN chlorocyanogen clcn  
1028 BrCN Cyanogen bromide brcn  
1029 ICN Cyanogen iodide icn  
1030 FBO Boron monofluoride monoxide fbo  
1031 BeF2 Beryllium fluoride bef2  
1032 MgF2 Magnesium fluoride mgf2  
1033 BeCl2 Beryllium chloride becl2  
1034 MgCl2 Magnesium dichloride mgcl2  
1035 CaCl2 Calcium Chloride cacl2  
1036 ZnCl2 Zinc dichloride zncl2  
1037 BeBr2 Beryllium bromide bebr2  
1038 CaBr2 Calcium dibromide cabr2  
1039 CaF2 Calcium difluoride caf2  
1040 FCO Carbonyl fluoride fco  
1041 FCO+ Carbonyl fluoride cation fco+  
1042 ClCO carbonyl monochloride clco  
1043 BF2 Boron difluoride radical bf2  
1044 FNO Nitrosyl fluoride fno  
1045 ClNO Nitrosyl chloride clno  
1046 FNS Thionitrosyl fluoride fns  
1047 FSN Thiazyl fluoride fsn  
1048 OPCl Phosphorus oxychloride opcl  
1049 BrNO Nitrosyl bromide brno  
1050 INO Nitrosyl iodide ino  
1051 CF2 Difluoromethylene cf2  
1052 CF2- Difluoromethylene anion cf2-  
1053 CF2+ Difluoromethylene cation cf2+  
1054 CFCl chlorofluoromethylene cfcl  
1055 SiF2 Silicon difluoride sif2  
1056 SiF2+ Silicon difluoride cation sif2+  
1057 CCl2 dichloromethylene ccl2  
1058 CCl2- dichloromethylene anion ccl2-  
1059 CCl2+ dichloromethylene cation ccl2+  
1060 SiCl2 Dichlorosilylene sicl2  
1061 GeF2 Germanium difluoride gef2  
1062 GeCl2 Germanium dichloride gecl2  
1063 CBr2 dibromomethylene cbr2  
1064 FOO Dioxygen monofluoride radical foo  
1065 FOO+ Fluorine dioxide cation foo+  
1066 ClOO chloroperoxy radical cloo  
1067 ClOO+ chloroperoxy cation cloo+  
1068 OClO Chlorine dioxide oclo  
1069 OClO- Chlorine dioxide anion oclo-  
1070 OClO+ Chlorine dioxide cation oclo+  
1071 ClSO Sulfur chloride oxide clso  
1072 ClS2 Sulfur chloride cls2  
1073 BrOO Bromine dioxide broo  
1074 OBrO Bromine dioxide radical obro  
1075 NF2 Difluoroamino radical nf2  
1076 NF2+ Difluoroamino cation nf2+  
1077 PF2 Phosphorus difluoride pf2  
1078 PF2+ Phosphorus difluoride cation pf2+  
1079 FClO chlorosyl fluoride fclo  
1080 F2O Difluorine monoxide f2o  
1081 ClOF Chlorine hypofluorite clof  
1082 SF2 sulfur difluoride sf2  
1083 SF2- sulfur difluoride anion sf2-  
1084 SF2+ sulfur difluoride cation sf2+  
1085 Cl2O Dichlorine monoxide cl2o  
1086 SCl2 Sulfur dichloride scl2  
1087 SeF2 Selenium difluoride sef2  
1088 BrOCl Bromine hypochlorite brocl  
1089 SeCl2 Selenium Dichloride secl2  
1090 SBr2 Sulfur dibromide sbr2  
1091 SeBr2 Selenium dibromide sebr2  
1092 BrOBr Bromine oxide brobr  
1093 F3- trifluoride anion f3-  
1094 Cl3- trichloride anion cl3-  
1095 Br3- tribromide anion br3-  
1096 I3- triiodide i3-  
1097 SFCl Sulfur chloride fluoride sfcl  
1098 HCCF Fluoroacetylene hccf  
1099 HCCF+ fluoroacetylene cation hccf+  
1100 HCCCl Chloroacetylene hcccl  
1101 HCCBr bromoacetylene hccbr  
1102 HFCO formyl fluoride hfco  
1103 HFCO+ formyl fluoride cation hfco+  
1104 COHCl Formyl chloride cohcl  
1105 COHBr Formyl bromide cohbr  
1106 BHF2 Difluoroborane bhf2  
1107 BHCl2 Borane, dichloro- bhcl2  
1108 CHCl2 dichloromethyl radical chcl2  
1109 CHF2 difluoromethyl radical chf2  
1110 CHF2+ difluoromethyl cation chf2+  
1111 CHFCl Chlorofluoromethyl radical chfcl  
1112 CHFCl+ Chlorofluoromethyl cation chfcl+  
1113 CHCl2+ dichloromethyl cation chcl2+  
1114 CHBr2 dibromomethyl radical chbr2  
1115 HOClO Chlorous acid hoclo  
1116 NHF2 difluoramine nhf2  
1117 NHCl2 dichloroamine nhcl2  
1118 CH2F2 Methane, difluoro- ch2f2  
1119 CH2FCl fluorochloromethane ch2fcl  
1120 SiH2F2 difluorosilane sih2f2  
1121 CH2Cl2 Methylene chloride ch2cl2  
1122 CH2BrF Methane, bromofluoro- ch2fbr  
1123 CH2BrCl Methane, bromochloro- ch2clbr  
1124 CH2FI fluoroiodomethane ch2fi  
1125 CH2Br2 dibromomethane ch2br2  
1126 CH2ClI chloroiodomethane ch2cli  
1127 CH2BrI bromoiodomethane ch2bri  
1128 CH2I2 Diiodomethane ch2i2  
1129 SiH2Cl2 dichlorosilane sih2cl2  
1130 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1131 CH2CHF Ethene, fluoro- ch2chf  
1132 CH2CHF+ fluoroethene cation ch2chf+  
1133 C2H3Cl Ethene, chloro- ch2chcl  
1134 C2H3Br vinyl bromide c2h3br  
1135 C2H3I Vinyl iodide c2h3i  
1136 CH2FOH fluoromethanol ch2foh  
1137 CH3OCl methyl hypochlorite ch3ocl  
1138 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1139 CHClCH3 1-chloroethyl radical chclch3  
1140 C2H5F fluoroethane c2h5f  
1141 CH3CH2Cl Ethyl chloride c2h5cl  
1142 CH3SiFH2 fluoromethylsilane ch3sifh2  
1143 C2H5Br Ethyl bromide etbr  
1144 C2H5I Ethyl iodide c2h5i  
1145 KrF2 Krypton difluoride krf2  
1146 XeF2 Xenon difluoride xef2  
1147 B4H10 Tetraborane(10) b4h10  
1148 C4 Carbon tetramer c4  
1149 C4+ Carbon tetramer cation c4+  
1150 C4H2 Diacetylene c4h2  
1151 C4H2+ diacetlyene cation c4h2+  
1152 C2H3CCH 1-Buten-3-yne c2h3cch  
1153 C4H4 cyclobutadiene cbd  
1154 C4H4 Tetrahedrane c4h4  
1155 H2CCCCH2 Butatriene h2cccch2  
1156 C4H6 1-Methylcyclopropene c3100047  
1157 C4H6 Cyclobutene c822355  
1158 C4H6 Methylenecyclopropane c6142730  
1159 CH2CCHCH3 1,2-Butadiene butad12  
1160 CH2CHCHCH2 1,3-Butadiene c106990  
1161 CH3CCCH3 2-Butyne c503173  
1162 CHCCH2CH3 1-Butyne c107006  
1163 CH3CHCHCH2 methylallyl radical c4h7  
1164 C4H8 methylcyclopropane mcp  
1165 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1166 CH2CHCH2CH3 1-Butene bute1  
1167 CH3CHCHCH3 2-Butene, (E)- bute2e  
1168 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1169 B(CH3)3 trimethylborane bme3  
1170 Al(CH3)3 trimethyl aluminum tma  
1171 C(CH3)3 Tert-butyl radical tbutyl  
1172 CH2CH(CH3)2 Isobutyl radical isobutyl  
1173 CH3CHCH2CH3 2-Butyl radical butyl2  
1174 CH3CH(CH3)CH3 Isobutane isobutane  
1175 CH3CH2CH2CH3 Butane butane  
1176 SiH(CH3)3 trimethylsilane trimsi  
1177 Li3N trilithium nitride li3n  
1178 C2N2 Cyanogen c2n2  
1179 C2N2+ Cyanogen cation c2n2+  
1180 P4 Phosphorus tetramer p4  
1181 As4 Arsenic tetramer as4  
1182 HCCCN Cyanoacetylene hcccn  
1183 HCCCN+ Cyanoacetylene cation hcccn+  
1184 H2CNCN cyanamide, methylene ch2ncn  
1185 HNCCNH Ethenediimine hnccnh  
1186 C3H3N acrylonitrile ch2chcn  
1187 C3H3N+ acrylonitrile cation ch2chcn+  
1188 CH3N3 methyl azide ch3n3  
1189 NH2CCNH2 Diaminoacetylene daa  
1190 NH2CH2CN Aminoacetonitrile aan  
1191 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1192 C2H5CN ethyl cyanide c2h5cn  
1193 CH5N3 Guanidine guanidine  
1194 C4H6 Bicyclo[1.1.0]butane c157335  
1195 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1196 H2NCHCHNH2 diaminoethylene dae  
1197 CH6N3+ guanidinium ch6n3+  
1198 C3H7N Cyclopropylamine cpram  
1199 CH7N3 triaminomethane tam  
1200 C3H7N Azetidine azet  
1201 C4H8 cyclobutane cbutane  
1202 C2H8N2 Ethylenediamine ethdiam  
1203 CH3NHNHCH3 dimethyl hydrazine dmh  
1204 CH3CH(NH2)CH3 2-Propanamine pram2  
1205 N(CH3)3 Trimethylamine trimeam  
1206 NH2CH2CH2CH3 1-Propanamine pram1  
1207 P(CH3)3 trimethylphosphine tmp  
1208 N(SiH3)3 trisilylamine tsa  
1209 As(CH3)3 trimethyl arsine tmas  
1210 (CH3)3NH+ protonated trimethyl amine ptma  
1211 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1212 Li2O2 dilithium dioxide li2o2  
1213 Na2O2 disodium dioxide na2o2  
1214 K2O2 dipotassium dioxide k2o2  
1215 C3O Tricarbon monoxide c3o  
1216 B2O2 Diboron dioxide b2o2  
1217 ONNO NO dimer onno  
1218 S2N2 Disulfur dinitride s2n2  
1219 CO3 Carbon trioxide co3  
1220 CO3-- carbonate co3--  
1221 CS3-- Carbonotrithioate cs3--  
1222 NO3 Nitrogen trioxide no3  
1223 NO3- nitrate anion no3-  
1224 NO3+ nitrogen trioxide cation no3+  
1225 SO3 Sulfur trioxide so3  
1226 SO3- Sulfur trioxide anion so3-  
1227 SO3-- Sulfate dianion so3--  
1228 SO3+ Sulfur trioxide cation so3+  
1229 SeO3 selenium trioxide seo3  
1230 S4 Sulfur tetramer s4  
1231 TeO3 Tellurium trioxide teo3  
1232 HCO3- bicarbonate anion hco3-  
1233 HNO3 Nitric acid hno3  
1234 HSO3 Hydroxysulfonyl radical hso3  
1235 NH2NO2 nitramide nh2no2  
1236 C2H2CO cyclopropenone c2h2co  
1237 C3H2O Propadienal c3h2o  
1238 HCCCHO 2-propynal hcccho  
1239 C2H2O2 Ethanedial c2h2o2  
1240 C2H2O2+ Ethanedial cation c2h2o2+  
1241 H2CO3 Carbonic acid h2co3  
1242 H2CS3 thiocarbonic acid h2cs3  
1243 H2NO3+ Nitric Acid, Protonated h2no3+  
1244 H2SO3 Sulfurous acid h2so3  
1245 C2H3NO Nitrosoethylene c2h3no  
1246 CH3NCO methylisocyante ch3nco  
1247 HOCH2CN cyanomethanol hoch2cn  
1248 CH3COO- acetate anion ch3coo-  
1249 CH3NO2 Methane, nitro- ch3no2  
1250 CH3ONO Methyl nitrite ch3ono  
1251 NH2COOH Carbamic acid nh2cooh  
1252 H3BO3 Boric acid h3bo3  
1253 H3AlO3 Aluminum hydroxide h3alo3  
1254 H3CO3+ carbonic acid, protonated h3co3+  
1255 C3H4O 2-Propyn-1-ol c107197  
1256 C3H4O allenol c9000071  
1257 C3H4O Cyclopropanone cpone  
1258 C3H4O Methylketene c6004440  
1259 CH2CHCHO Acrolein c3h4o  
1260 NH2CONH2 Urea urea  
1261 NH2CONH2+ Urea cation urea+  
1262 NH2CSNH2 Thiourea thiourea  
1263 C2H4O2 1,3-dioxetane c2h4o2  
1264 CH3COOH Acetic acid ch3cooh  
1265 CH3OCHO methyl formate ch3ocho  
1266 CHOCH2OH hydroxy acetaldehyde haa  
1267 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1268 NH3COOH+ protonated Carbamic acid nh3cooh+  
1269 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1270 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1271 HCOOHH2O Formic acid water dimer hcoohh2o  
1272 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1273 CH3COCH2 Acetonyl radical ch3coch2  
1274 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1275 CH3C(OH)=NH Ethaninidic acid eia  
1276 CH3CHNOH Acetaldoxime acetaldoxime  
1277 CH3CONH2 Acetamide acetamide  
1278 HCONHCH3 N-methylformamide nmfa  
1279 CH3CSNH2 Ethanethioamide ch3csnh2  
1280 CH5N2O+ urea, N-protonated ch4n2o+  
1281 H2NCOHNH2+ urea, protonated ureah+  
1282 C2H5OO ethylperoxy radical c2h5oo  
1283 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1284 C3H5OH Cyclopropanol cproh  
1285 C3H6O 2-Propen-1-ol c107186  
1286 C3H6O Acetone enol enol  
1287 C3H6O Oxetane oxetane  
1288 C3H6O Propylene oxide prox  
1289 CH3CH2CHO Propanal propanal  
1290 CH3COCH3 Acetone acetone  
1291 CH3COCH3- acetone anion ch3coch3-  
1292 C3H6S Thietane thietane  
1293 C3H6S Thiirane, methyl- methiirane  
1294 CH3CSCH3 Thioacetone ch3csch3  
1295 C2H6O2 1,2-Ethanediol ethdiol  
1296 CH3OOCH3 dimethylperoxide dmp  
1297 CH3SOCH3 Dimethyl sulfoxide dmso  
1298 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1299 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1300 CH3COHCH3+ acetone, protonated acetoneh+  
1301 HOCH2CH2NH2 monoethanolamine mea  
1302 C3H7OH 1-Propanol proh  
1303 CH3CHOHCH3 Isopropyl alcohol isoproh  
1304 CH3OC2H5 Ethane, methoxy- etome  
1305 C3H7SH 1-Propanethiol prsh  
1306 CH3CHSHCH3 2-Propanethiol isoprsh  
1307 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1308 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1309 Li2F2 Lithium fluoride dimer li2f2  
1310 Na2F2 Sodium Fluoride Dimer na2f2  
1311 Na2Cl2 Disodium dichloride na2cl2  
1312 C2F2 difluoroacetylene c2f2  
1313 C2Cl2 dichloroacetylene c2cl2  
1314 C2Cl2+ dichloroacetylene cation c2cl2+  
1315 FNO2 Nitryl fluoride fno2  
1316 FONO Nitrosyl hypofluorite fono  
1317 ClNO2 Nitryl chloride clno2  
1318 ClONO chlorine nitrite clono  
1319 BrONO Bromine nitrite brono  
1320 N2F2 (Z)-Difluorodiazene n2f2_z  
1321 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1322 CF2O Carbonic difluoride f2co  
1323 CF2O+ Carbonic difluoride cation f2co+  
1324 COFCl Carbonic chloride fluoride cofcl  
1325 CCl2O Phosgene cl2co  
1326 Cl2CS Thiophosgene cl2cs  
1327 COBr2 Carbonic dibromide cobr2  
1328 BF3- Borane, trifluoro- anion bf3-  
1329 BF3+ boron trifluoride cation bf3+  
1330 BClF2 Chlorodifluoroborane bclf2  
1331 AlF2Cl Aluminum chloride difluoride alclf2  
1332 ScF3 Scandium trifluoride ScF3  
1333 AlFCl2 Aluminum dichloride fluoride alcl2f  
1334 BCl3 Borane, trichloro- bcl3  
1335 BCl3+ Boron Trichloride cation bcl3+  
1336 GaF3 Gallium trifluoride gaf3  
1337 AlCl3 Aluminum trichloride alcl3  
1338 GaCl3 Gallium trichloride gacl3  
1339 BBr3 Boron tribromide bbr3  
1340 AlBr3 Aluminum Bromide albr3  
1341 ClO3 Chlorine trioxide clo3  
1342 ClO3- chlorate anion clo3-  
1343 BrO3- Bromate anion bro3-  
1344 CF3 Trifluoromethyl radical cf3  
1345 CF3- Trifluoromethyl anion cf3-  
1346 CF3+ Trifluoromethyl cation cf3+  
1347 CF2Cl difluorochloromethyl radical cf2cl  
1348 SiF3 Silicon trifluoride radical sif3  
1349 SiF3+ Silicon trifluoride cation sif3+  
1350 CFCl2 dichlorofluoromethyl radical cfcl2  
1351 CCl3 Trichloromethyl radical ccl3  
1352 CCl3- Trichloromethyl anion ccl3-  
1353 CCl3+ Trichloromethyl cation ccl3+  
1354 SiCl3 trichlorosilyl radical sicl3  
1355 SiCl3+ trichlorosilyl cation sicl3+  
1356 CBr3 tribromomethyl radical cbr3  
1357 FOOF Perfluoroperoxide foof  
1358 ClO2F Chloryl fluoride clo2f  
1359 F2SO Thionyl Fluoride f2so  
1360 ClOOCl Dichlorine dioxide cloocl  
1361 FSSF Difluorodisulfane fssf  
1362 S2F2 Thio-thionyl fluoride s2f2  
1363 SOCl2 thionyl chloride socl2  
1364 SSCl2 Thiothionyl chloride sscl2  
1365 SeOCl2 selenium oxychloride seocl2  
1366 NF3 Nitrogen trifluoride nf3  
1367 NF3- Nitrogen trifluoride anion nf3-  
1368 NF3+ Nitrogen trifluoride cation nf3+  
1369 PF3 Phosphorus trifluoride pf3  
1370 NCl3 nitrogen trichloride ncl3  
1371 AsF3 Arsenic trifluoride asf3  
1372 PCl3 Phosphorus trichloride pcl3  
1373 SbF3 Antimony Trifluoride sbf3  
1374 AsCl3 Arsenous trichloride ascl3  
1375 SbCl3 Antimony Trichloride sbcl3  
1376 NBr3 Nitrogen Tribromide nbr3  
1377 PBr3 Phosphorus tribromide pbr3  
1378 AsBr3 Arsenic tribromide asbr3  
1379 NI3 Nitrogen triiodide ni3  
1380 PI3 Phosphorus triiodide pi3  
1381 ClSSCl Disulfur dichloride s2cl2  
1382 SF3 Sulfur trifluoride sf3  
1383 ClF3 Chlorine trifluoride clf3  
1384 BrF3 Bromine trifluoride brf3  
1385 IF3 iodone trifluoride if3  
1386 HClO3 Chloric Acid hclo3  
1387 CHF3 Methane, trifluoro- chf3  
1388 CHF2Cl difluorochloromethane chf2cl  
1389 SiHF3 trifluorosilane sihf3  
1390 CHFCl2 fluorodichloromethane chfcl2  
1391 CDCl3 trichloromethane-d cdcl3  
1392 CHCl3 Chloroform chcl3  
1393 CHBrF2 Methane, bromodifluoro- chbrf2  
1394 SiHCl3 Trichlorosilane sihcl3  
1395 CHFClBr fluorochlorobromomethane chfclbr  
1396 CHBrCl2 Methane, bromodichloro- chbrcl2  
1397 CHF2I difluoroiodomethane chf2i  
1398 CHBr2F dibromofluoromethane chbr2f  
1399 CHFClI fluorochloroiodomethane chfcli  
1400 CHCl2I dichloroiodomethane chcl2i  
1401 CHClBr2 Methane, dibromochloro- chclbr2  
1402 CHBr3 bromoform chbr3  
1403 CHI3 Iodoform chi3  
1404 NF3H+ protonated nitrogen trifluoride nf3h+  
1405 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1406 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1407 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1408 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1409 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1410 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1411 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1412 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1413 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1414 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1415 C2H2Br2 1,1-dibromoethene c2h2br2  
1416 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1417 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1418 CH2FCHO Fluoroacetaldehyde ch2fcho  
1419 CH3COF Acetyl fluoride ch3cof  
1420 CH2ClCHO chloroacetaldehyde ch2clcho  
1421 CH3COCl Acetyl Chloride ch3cocl  
1422 C2H4F2 1,2-difluoroethane c2h4f2  
1423 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1424 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1425 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1426 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1427 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1428 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1429 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1430 CH2CFCH3 2-fluoropropene 2fpro  
1431 CH2CHCH2F Allyl Fluoride allylf  
1432 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1433 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1434 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1435 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1436 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1437 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1438 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1439 CH2FCH2CH3 1-Fluoropropane prf1  
1440 CH3CHFCH3 2-Fluoropropane prf2  
1441 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1442 CH3CHClCH3 Propane, 2-chloro- prcl2  
1443 CH3CH2CH2Br n-propyl bromide prbr  
1444 CH3CHBrCH3 i-propyl bromide iprbr  
1445 C3H9O+ trimethyl oxonium cation c3h9o+  
1446 B5H9 pentaborane9 b5h9  
1447 C5H4 pentatetraene ptrene  
1448 C5H5 cyclopentadienyl radical c5h5  
1449 C5H5- cylopentadienyl anion c5h5-  
1450 C5H6 1,3-Cyclopentadiene c542927  
1451 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1452 C5H6 3-Penten-1-yne, (E)- c2004695  
1453 C5H6 3-Penten-1-yne, (Z)- c1574409  
1454 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1455 C5H6 Cyclopropylacetylene c6746947  
1456 C5H6 Propellane propellane  
1457 C5H7 1,3-pentadienyl radical pdyl  
1458 C5H7 cyclopentenyl radical cpyl  
1459 C5H8 1,2-Butadiene, 3-methyl- c598254  
1460 C5H8 1,2-Pentadiene c591957  
1461 C5H8 1,3-Butadiene, 2-methyl- c78795  
1462 C5H8 1,3-Pentadiene, (E)- c2004708  
1463 C5H8 1,3-Pentadiene, (Z)- c1574410  
1464 C5H8 1,4-Pentadiene c591935  
1465 C5H8 1-pentyne a1pentyne  
1466 C5H8 2,3-Pentadiene c591968  
1467 C5H8 Bicyclo[1.1.1]pentane bcp  
1468 C5H8 Cyclobutane, methylene- c1120565  
1469 C5H8 Cyclopentene c142290  
1470 C5H8 Ethenylcyclopropane c693867  
1471 CH3CCCH2CH3 2-Pentyne 2pentyne  
1472 C5H10 1-Butene, 2-methyl- c563462  
1473 C5H10 2-Butene, 2-methyl- c513359  
1474 C5H10 2-Pentene, (E)- c646048  
1475 C5H10 2-Pentene, (Z)- c627203  
1476 C5H10 Cyclopentane c287923  
1477 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1478 CH2CHCH2CH2CH3 1-pentene pentene  
1479 C5H11 2-Methylbut-2-yl radical c4348350  
1480 C5H12 Butane, 2-methyl- buta2  
1481 C5H12 Pentane pentane  
1482 C5H12 Propane, 2,2-dimethyl- neopentane  
1483 Si(CH3)4 tetramethylsilane tms  
1484 N2O3 Dinitrogen trioxide n2o3  
1485 C3H2N2 Malononitrile c3h2n2  
1486 CH2N4 1H-Tetrazole 1htz  
1487 C3H3N2 imidazolyl radical im  
1488 C3H3N2- imidizolyl anion im-  
1489 C2H3N3 1H-1,2,4-Triazole c288880  
1490 C4H4N pyrrolide radical c4h4n  
1491 C4H4N- pyrrolide anion c4h4n-  
1492 C3H4N2 1H-Imidazole 1himidaz  
1493 C3H4N2 1H-Pyrazole 1hpyraz  
1494 C3H4N2 2H-Imidazole imid2h  
1495 C3H4N2 4H-Imidazole imid4h  
1496 C4H5N (E)-2-Butenenitrile c627269  
1497 C4H5N (Z)-2-Butenenitrile c1190767  
1498 C4H5N 2H-pyrrole pyrrole2  
1499 C4H5N 3H-pyrrole pyrrole3  
1500 C4H5N Cyclopropanecarbonitrile c5500210  
1501 C4H5N Pyrrole pyrrole  
1502 CH2CHCH2CN Allylcyanide ch2chch2cn  
1503 C4H6N+ pyrrole, alpha-protonated appyr  
1504 C4H6N+ pyrrole, beta-protonated bppyr  
1505 C4H6N+ pyrrole, protonated ppyr  
1506 C3H6N2 3-Aminopropionitrile c151188  
1507 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1508 CH3CH2CH2CN Butanenitrile c109740  
1509 C5H8 Bicyclo[2.1.0]pentane c185944  
1510 C5H8 Spiropentane c157404  
1511 C4H9N Cyclobutylamine cbam  
1512 C4H9N Pyrrolidine pyrrolidine  
1513 C3H10N2 1,2-Diaminopropane diampr12  
1514 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1515 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1516 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1517 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1518 NH(C2H5)2 diethylamine dea  
1519 NC4H12+ tetramethyl ammonium cation nc4h12+  
1520 C3O2 Carbon suboxide c3o2  
1521 C3O2+ Carbon suboxide cation c3o2+  
1522 B2O3 diboron trioxide b2o3  
1523 MgCO3 Magnesium Carbonate mgco3  
1524 BeCO3 Beryllium Carbonate beco3  
1525 CaCO3 Calcium Carbonate caco3  
1526 ONONO Nitrosyl nitrite onono  
1527 PO4--- phosphate po4---  
1528 SO4-- sulfate so4--  
1529 HOONO2 peroxy nitric acid hoono2  
1530 HSO4- bisulfate anion hso4-  
1531 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1532 C3H2O2 Propiolic acid c3h2o2  
1533 CHOCOOH oxo acetic acid oaa  
1534 CHOOCHO diformyl ether choocho  
1535 H2SO4 Sulfuric acid h2so4  
1536 H2SeO4 Selenic acid h2seo4  
1537 C3H3NO Isoxazole isox  
1538 C3H3NO Oxazole oxazole  
1539 C3H3NS Thiazole thiazole  
1540 CH3C(O)OO acetyl peroxy radical ch3coo2  
1541 CH3NO3 Methyl nitrate ch3no3  
1542 H3PO4 Phosphoric Acid h3po4  
1543 C4H4O Furan furan  
1544 C4H4O+ Furan cation furan+  
1545 CH3COCCH 3-butyn-2-one c1423605  
1546 C4H4S Thiophene furans  
1547 C4H4Se selenophene c4h4se  
1548 C3H4O2 β–Propiolactone beta  
1549 C3H4O2 2-Propenoic acid propenoic2  
1550 C3H4O2 Methyl glyoxal megly  
1551 C3H4O2 propanedial propanedial  
1552 C3H4O2 propenalol propenalol  
1553 HOCHCCHOH allenediol aldiol  
1554 C2H4O3 1,2,3-trioxolane c2h4o3  
1555 C2H4O3 trioxolane124 triox  
1556 HOCH2COOH Hydroxyacetic acid hac  
1557 CH2CHCONH2 Acrylamide c79061  
1558 CH3OCH2CN Methoxyacetonitrile c1738369  
1559 CH5N3S Hydrazinecarbothioamide c79196  
1560 H2NCH2COOH Glycine glycine  
1561 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1562 C4H6O cis-2-butenal butenal2c  
1563 C4H6O Cyclobutanone cbutone  
1564 C4H6O Furan, 2,3-dihydro- furan23h  
1565 C4H6O Furan, 2,5-dihydro- furan25h  
1566 CH2CHOCHCH2 Vinyl ether vinylether  
1567 CHOCHCHCH3 2-Butenal butenal2  
1568 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1569 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1570 CH2CHSCHCH2 Divinyl sulfide divis  
1571 C2H6N2O Urea, methyl- c598505  
1572 C3H6O2 1,3-Dioxolane dioxolane  
1573 CH3CH2COOH Propanoic Acid propanoic  
1574 CH3COOCH3 methyl acetate aame  
1575 HCOOC2H5 Ethyl formate faee  
1576 C2H6O2S Dimethyl sulfone c67710  
1577 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1578 C3H7NO dimethylformamide dmf  
1579 C3H7NO Propanamide propanam  
1580 C2H3OC2H5 Ethene, ethoxy- c109922  
1581 C4H8O Cyclobutanol c2919235  
1582 C4H8O Furan, tetrahydro- thf  
1583 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1584 CH3COCH2CH3 2-Butanone buta2one  
1585 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1586 CHOCH2CH2CH3 Butanal butanal  
1587 C4H8S Thiophene, tetrahydro- tht  
1588 C3H8O2 1,3-Propanediol c504632  
1589 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1590 C3H8O2 Methane, dimethoxy- c109875  
1591 C3H8O2 Propylene glycol c57556  
1592 C3H8S2 1,3-Propanedithiol c109808  
1593 C4H10O 1-Butanol butanol1  
1594 C4H10O 1-Propanol, 2-methyl- c78831  
1595 C4H10O 2-Butanol, (.+/-.)- butanol2  
1596 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1597 C4H10O Ethoxy ethane etoet  
1598 C4H10O Methyl propyl ether meopr  
1599 C4H10O Propane, 2-methoxy- c598538  
1600 C4H10O+ 1-Butanol cation butanol1+  
1601 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1602 C2H5SC2H5 Diethyl sulfide etset  
1603 C4H9SH 1-Butanethiol bush  
1604 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1605 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1606 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1607 FNO3 Fluorine nitrate fno3  
1608 ClONO2 Chlorine nitrate clono2  
1609 BrONO2 Bromine nitrate brono2  
1610 TiCl4 Titanium tetrachloride ticl4  
1611 ClO4- perchlorate anion clo4-  
1612 BF4- tetrafluoroboron anion bf4-  
1613 ClFO3 Perchloryl fluoride clfo3  
1614 SO2F2 Sulfuryl fluoride so2f2  
1615 SO2Cl2 Sulfuryl chloride so2cl2  
1616 F3NO Nitrogen trifluoride oxide f3no  
1617 F3PO Phosphoryl fluoride pf3o  
1618 Cl3PO Phosphoryl chloride pcl3o  
1619 CF4 Carbon tetrafluoride cf4  
1620 CF3Cl Methane, chlorotrifluoro- cf3cl  
1621 SiF4 Silicon tetrafluoride sif4  
1622 CF2Cl2 difluorodichloromethane cf2cl2  
1623 TiF4 Titanium tetrafluoride tif4  
1624 CFCl3 Trichloromonofluoromethane cfcl3  
1625 CF3Br Bromotrifluoromethane cf3br  
1626 GeF4 Germanium tetrafluoride gef4  
1627 CCl4 Carbon tetrachloride ccl4  
1628 CCl4+ Carbon tetrachloride cation ccl4+  
1629 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1630 SiCl4 Silane, tetrachloro- sicl4  
1631 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1632 CF3I trifluoroiodomethane cf3i  
1633 CBrCl3 Methane, bromotrichloro- cbrcl3  
1634 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1635 GeCl4 Germanium Tetrachloride gecl4  
1636 CBr2ClF dibromochlorofluoromethane cbr2clf  
1637 CBr2Cl2 dibromodichloromethane cbr2cl2  
1638 CCl3I trichloroiodomethane ccl3i  
1639 CFBr3 fluorotribromomethane cfbr3  
1640 CFClBrI fluorochlorobromoiodomethane cfclbri  
1641 CBr3Cl tribromochloromethane cbr3cl  
1642 CF2I2 difluorodiiodomethane cf2i2  
1643 CBr4 Carbon tetrabromide cbr4  
1644 CCl2I2 dichlorodiiodomethane ccl2i2  
1645 SiBr4 Silicon tetrabromide sibr4  
1646 CBr3I tribromoiododmethane cbr3i  
1647 GeBr4 Germanium tetrabromide gebr4  
1648 CI4 tetraiodomethane ci4  
1649 SiI4 silicon tetraiodide sii4  
1650 ClOF3 Chlorine trifluoride oxide clof3  
1651 SF4 Sulfur tetrafluoride sf4  
1652 SeF4 Selenium tetrafluoride sef4  
1653 SCl4 Sulfur tetrachloride scl4  
1654 C2HF3 Trifluoroethylene c2hf3  
1655 C2HF3+ Trifluoroethylene cation c2hf3+  
1656 CHClCCl2 Trichloroethylene chclccl2  
1657 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1658 HClO4 perchloric acid hclo4  
1659 HSO3F Fluorosulfonic acid hso3f  
1660 CF3OH trifluoromethanol cf3oh  
1661 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1662 CHClCCHCl 1,3-dichloroallene chclcchcl  
1663 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1664 CHCl2CHO dichloroacetaldehyde chcl2cho  
1665 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1666 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1667 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1668 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1669 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1670 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1671 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1672 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1673 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1674 NH3BCl3 Amminetrichloroboron nh3bcl3  
1675 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1676 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1677 C3H5ClO Oxirane, (chloromethyl)- c106898  
1678 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1679 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1680 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1681 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1682 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1683 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1684 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1685 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1686 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1687 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1688 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1689 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1690 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1691 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1692 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1693 C4H9F 1-fluorobutane butaf1  
1694 CH3CHFCH2CH3 2-fluorobutane butaf2  
1695 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1696 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1697 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1698 XeF4 Xenon tetrafluoride xef4  
1699 C2H2N2O Furazan furazan  
1700 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1701 NH3BF3 Amminetrifluoroboron nh3bf3  
1702 C6H2 hexatriyne c6h2  
1703 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1704 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1705 C6H4 Benzyne benzyne  
1706 C6H5 phenyl phenyl  
1707 C6H5- phenyl anion phenyl-  
1708 C6H6 Prismane prismane  
1709 C6H6 1,2,4,5-Hexatetraene ht1245  
1710 C6H6 2,4-Hexadiyne hexadiyne  
1711 C6H6 3,4-Dimethylenecyclobutene cb34m  
1712 C6H6 Benzene benzene  
1713 C6H6 Benzvalene bv  
1714 C6H6 Dewar Benzene dewar  
1715 C6H6 Hexa-1,5-diene-3-yne hdy153  
1716 C6H6 Trimethylenecycopropane tmcp  
1717 C6H6+ Benzene cation c6h6+  
1718 C6H7+ benzene, protonated c6h7+  
1719 C6H8 (E)-hexa-1,3,5-triene c821078  
1720 C6H8 (E)-hexa-2,3,4-triene c59660650  
1721 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1722 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1723 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1724 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1725 C6H8 3-Methylenecyclopentene c930267  
1726 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1727 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1728 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1729 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1730 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1731 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1732 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1733 C6H10 1,5-Hexadiene c592427  
1734 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1735 C6H10 1-Hexyne hexyne1  
1736 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1737 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1738 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1739 C6H10 2-Hexyne c764352  
1740 C6H10 3-Hexyne hexyne3  
1741 C6H10 cyclohexene cyclohexene  
1742 C6H10 Cyclopentene, 1-methyl- c693890  
1743 C6H10 Cyclopentene, 3-methyl- c1120623  
1744 C6H10 Cyclopentene, 4-methyl- c1759815  
1745 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1746 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1747 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1748 C6H12 (E)-2-Hexene e2hexene  
1749 C6H12 (E)-3-methylpent-2-ene c616126  
1750 C6H12 (E)-hex-3-ene e3hexene  
1751 C6H12 (Z)-3-methylpent-2-ene c922623  
1752 C6H12 (Z)-hex-2-ene z2hexene  
1753 C6H12 (Z)-hex-3-ene z3hexene  
1754 C6H12 2,3-dimethylbut-1-ene c563780  
1755 C6H12 2,3-dimethyl-but-2-ene tmeet  
1756 C6H12 3-methylenepentane c760214  
1757 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1758 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1759 C6H12 Cyclohexane cyclohexane  
1760 C6H12 Cyclopentane, methyl- c96377  
1761 C6H12 Ethylcyclobutane c4806615  
1762 C6H12 hex-1-ene hexene1  
1763 C6H14 Butane, 2,2-dimethyl- buta22  
1764 C6H14 Butane, 2,3-dimethyl- buta23  
1765 C6H14 Hexane hexane  
1766 C6H14 Pentane, 2-methyl- penta2  
1767 C6H14 Pentane, 3-methyl- penta3  
1768 C4N2 2-Butynedinitrile c4n2  
1769 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1770 C4H2N2 Fumaronitrile c4h2n2  
1771 C2H2N4 sym-tetrazine ttz  
1772 C3H3N3 1,3,5-Triazine triazine135  
1773 CH3N5 5-Aminotetrazole c4418615  
1774 C4H4N2 1,3-Diazine diazine13  
1775 C4H4N2 Pyrazine pyrazine  
1776 C4H4N2 Pyridazine pyridazine  
1777 C4H4N2 Succinonitrile c110612  
1778 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1779 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1780 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1781 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1782 C5H5N E-2,4-pentadienenitrile bdcn  
1783 C5H5N Pyridine pyridine  
1784 B3N3H6 borazine borazine  
1785 C6H6 Fulvene fulvene  
1786 C5H6N+ Pyridinium c5h6n  
1787 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1788 C5H7N (E)-2-Pentenenitrile c26294984  
1789 C5H7N (E)-3-Pentenenitrile c16529661  
1790 C5H7N (Z)-2-Pentenenitrile c25899507  
1791 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1792 C5H7N Cyclobutanecarbonitrile c4426113  
1793 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1794 C5H9N Butanenitrile, 2-methyl- c18936179  
1795 C5H9N Pentanenitrile c110598  
1796 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1797 C6H10 Bicyclo[3.1.0]hexane c285585  
1798 C5H11N Cyclopentanamine cypentam  
1799 C5H11N Piperidine piper  
1800 C4H12N2 1,2-Butanediamine c4426486  
1801 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1802 Li2CO3 Lithium Carbonate li2co3  
1803 Na2CO3 Sodium Carbonate na2co3  
1804 C2O4-- oxalate anion c2o4  
1805 MgSO4 Magnesium Sulfate mgso4  
1806 N2O4 Dinitrogen tetroxide n2o4  
1807 C3H2O3 vinylene carbonate vica  
1808 C2H2O4 Oxalic Acid oxalic  
1809 C2H3NO3 Oxamic acid oxamic  
1810 C4H4O2 2(5H)-Furanone furanone  
1811 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1812 C2H4N2O2 Oxalamide oxalamide  
1813 C2H4N2S2 Ethanedithioamide c79403  
1814 C2H4CO3 Ethylene carbonate etco3  
1815 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1816 C3H4S3 1,3-Dithiolane-2-thione c822388  
1817 C2H4O4 Formic acid dimer fadimer  
1818 C4H5NO 3-Methylisoxazole isox3m  
1819 C4H5NO Isoxazole, 5-methyl- c5765446  
1820 C4H5NS 4-Methylthiazole c693958  
1821 C2H5NO3 Nitric acid, ethyl ester c625581  
1822 C5H6O 2H-Pyran pyran2  
1823 C5H6O 2-methylfuran furan2m  
1824 C5H6O 3-Methylfuran furan3m  
1825 C5H6O Pentadienal pdal  
1826 C5H6S Thiophene, 2-methyl- c554143  
1827 C5H6S Thiophene, 3-methyl- c616444  
1828 C4H6O2 γ–Butyrolactone c96480  
1829 C4H6O2 2,3-Butanedione c431038  
1830 C4H6O2 2-Propenoic acid, methyl ester c96333  
1831 C4H6O2 Crotonic Acid crot  
1832 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1833 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1834 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1835 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1836 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1837 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1838 C4H6OS Vinyl sulfoxide c1115157  
1839 CH6N4S Carbonothioic dihydrazide thiacarb  
1840 C2H6N2O2 (E)-Azodioxymethane c37765154  
1841 C2H6N2O2 Dimethylnitroamine c4164287  
1842 C3H6O3 1,3,5-Trioxane trioxane  
1843 C3H6S3 1,3,5-Trithiane c3h6s3  
1844 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1845 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1846 C4H7NO 2-Pyrrolidinone c616455  
1847 C4H7NO Ethoxyacetonitrile etoaccn  
1848 C4H7NO Methacrylamide c79390  
1849 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1850 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1851 C3H7ONO Propyl nitrite prono  
1852 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1853 CH3CH(NH2)COOH Alanine alanine  
1854 CH3NHCH2COOH Sarcosine sarcosine  
1855 NH2CH2CH2COOH β–alanine betaalanine  
1856 NH2COOC2H5 Urethane urethane  
1857 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1858 C5H8O Cyclopentanone c120923  
1859 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1860 C5H8O Methyl cyclopropyl ketone c765435  
1861 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1862 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1863 NH2CONHC2H5 Urea, ethyl- c625525  
1864 C4H8O2 1,3-Dioxane dioxan13  
1865 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1866 C4H8O2 1,4-Dioxane dioxan14  
1867 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1868 C4H8O2 Ethyl acetate c141786  
1869 C4H8OS s-Ethyl thioacetate c625605  
1870 C3H8O3 1,2,3-Propanetriol glycerin  
1871 C3H8O2S (Methylsulfonyl)ethane c594434  
1872 C4H9NO Butanamide c541355  
1873 C4H9NO Propanamide, 2-methyl- c563837  
1874 C5H10O 2-Butanone, 3-methyl- c563804  
1875 C5H10O 2H-Pyran, tetrahydro- c142687  
1876 C5H10O 2-methylbutyraldehyde 2meba  
1877 C5H10O 2-Pentanone mpk  
1878 C5H10O 3-Pentanone dek  
1879 C5H10O Cyclopentanol c96413  
1880 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1881 C5H10O Pentanal pal  
1882 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1883 C5H10S 3-Ethylthio-1-propene c5296628  
1884 C5H10S Cyclopentanethiol c1679078  
1885 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1886 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1887 C4H10O2 1,1-Dimethoxyethane c534156  
1888 C4H10O2 1,3-Butanediol budiol13  
1889 C4H10O2 1,4-Butanediol budiol14  
1890 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1891 C4H10OS Diethyl sulfoxide c70291  
1892 C4H10S2 1,4-Butanedithiol budisl14  
1893 C4H11NO Diethylhydroxylamine c3710847  
1894 C5H12O 1-Butanol, 2-methyl- c137326  
1895 C5H12O 1-Butanol, 3-methyl- c123513  
1896 C5H12O 1-Pentanol pentanol1  
1897 C5H12O 2-Butanol, 3-methyl- c598754  
1898 C5H12O 2-Pentanol peol2  
1899 C5H12O 3-Pentanol pentan3ol  
1900 C5H12O Butane, 1-methoxy- meobu  
1901 C5H12O Propane, 1-ethoxy- proet  
1902 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1903 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1904 C5H12S 1-Butanethiol, 3-methyl- c541311  
1905 C5H12S 1-Pentanethiol c110667  
1906 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1907 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1908 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1909 C5H12S Butane, 1-(methylthio)- c628295  
1910 C5H12S Ethyl propyl sulfide c4110503  
1911 C5H12S Propane, 2-(ethylthio)- c5145993  
1912 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1913 C4F2 difluorobutadiyne c4f2  
1914 ClCOClCO Oxalyl chloride oxcl  
1915 CF3CN Acetonitrile, trifluoro- cf3cn  
1916 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1917 B2F4 Diboron tetrafluoride b2f4  
1918 B2Cl4 Diboron tetrachloride b2cl4  
1919 C2F4 Tetrafluoroethylene c2f4  
1920 C2F4+ Tetrafluoroethylene cation c2f4+  
1921 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1922 CF2CCl2 difluorodichloroethylene cf2ccl2  
1923 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1924 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1925 C2FCl3 fluorotrichloroethene c2fcl3  
1926 C2Cl4 Tetrachloroethylene c2cl4  
1927 C2Br4 tetrabromoethene c2br4  
1928 CF3OF Trifluoromethylhypofluorite cf3of  
1929 SiF5- silicon pentafluoride anion sif5-  
1930 SOF4 Sulfur tetrafluoride oxide sof4  
1931 PF5 Phosphorus pentafluoride pf5  
1932 AsF5 Arsenic pentafluoride asf5  
1933 PCl5 Phosphorus pentachloride pcl5  
1934 SF5 Sulfur pentafluoride sf5  
1935 SF5+ pentafluoro sulfur cation sf5+  
1936 SbCl5 Antimony pentachloride sbcl5  
1937 BrF5 bromine pentafluoride brf5  
1938 ClF5 chlorinepentafluoride clf5  
1939 IF5 pentafluoroiodine if5  
1940 CF3CHO trifluoroacetaldehyde cf3cho  
1941 CCl3CHO trichloroacetaldehyde ccl3cho  
1942 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1943 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1944 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1945 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1946 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1947 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1948 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1949 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1950 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1951 CF3COOH trifluoroacetic acid cf3cooh  
1952 C4H3ClO Furan, 2-chloro fur2cl  
1953 C4H3ClO Furan,3-chloro fur3cl  
1954 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1955 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1956 C4H8Cl2 1,4-Dichlorobutane c110565  
1957 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1958 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1959 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1960 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1961 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1962 C5H11Cl Pentane, 1-chloro- pencl1  
1963 C4H8O2 Butanoic acid bua  
1964 C6H5CH2 benzyl radical benzyl  
1965 C7H7 cycloheptatrienyl radical c7h7  
1966 C7H7+ cycloheptatrienyl cation c7h7+  
1967 C6H5CH3 toluene toluene  
1968 C7H8 cycloheptatriene cht  
1969 C7H8 Norbornadiene norbor  
1970 C7H8 Quadricyclane qucy  
1971 C7H12 Norbornane nor  
1972 C7H14 cycloheptane c7h14  
1973 C7H16 2-methylhexane 2mhex  
1974 C7H16 3-methylhexane hex3m  
1975 C7H16 heptane heptane  
1976 CH(CN)3 tricyanomethane mecn3  
1977 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1978 C6H7N 2-Methylpyridine mp  
1979 C6H5NH2 aniline aniline  
1980 C6H13N 2-Methylpiperidine pip2m  
1981 C6H13N cyclohexanamine cham  
1982 C6H15N triethylamine tea  
1983 N2O5 Dinitrogen pentoxide n2o5  
1984 C4H2O3 Maleic Anhydride malan  
1985 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1986 C5H4O2 furfural furfural  
1987 C6H5O phenoxy radical phenoxy  
1988 C5H5NO 2(1H)-Pyridinone c72762006  
1989 C5H5NO 2(3H)-Pyridinone c9000048  
1990 C5H5NO 2(5H)-Pyridinone c9000037  
1991 C5H5NO 2-Pyridinol c109104  
1992 C5H5NO 3(2H)-Pyridinone c9000004  
1993 C5H5NO 3(4H)-Pyridinone c9000026  
1994 C5H5NO 3(6H)-Pyridinone c9000015  
1995 C5H5NO 3-Pyridinol c109002  
1996 C5H5NO 4(1H)-Pryidinone c9000060  
1997 C5H5NO 4(3H)-Pryidinone c9000059  
1998 C5H5NO 4-Pyridinol c626642  
1999 C6H5OH phenol phenol  
2000 C6H6O 2,4-Cyclohexadienone c24599573  
2001 C6H6O 2,5-Cyclohexadienone c5664335  
2002 C6H5SH Benzenethiol phsh  
2003 HO2CCHNH2CH2OH Serine serine  
2004 C5H8O2 Acetylacetone acac  
2005 C4H8O2S Sulfolane sulfolane  
2006 C7H10 Norbornene norbornene  
2007 CH(C2H3)3 trivinyl methane tvm  
2008 C6H10O cyclohexanone chexo  
2009 C6H12O hexanal c6h12o  
2010 C6H12O Oxepane oxepane  
2011 C3H7OC3H7 di-n-propyl ether propr  
2012 F2CCCF2 tetrafluoroallene pfa  
2013 CF3COO- trifluoro acetate anion cf3coo-  
2014 CF3COF trifluoroacetyl fluoride cf3cof  
2015 CF3COCl trifluoroacetyl chloride cf3cocl  
2016 PF6 Hexafluorophosphate neutral pf6  
2017 PF6- Hexafluorophosphate ion pf6-  
2018 SF6 Sulfur Hexafluoride sf6  
2019 SeF6 Selenium hexafluoride sef6  
2020 SF5Cl sulfur chloropentafluoride sf5cl  
2021 CF3CHF2 pentafluoroethane cf3chf2  
2022 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2023 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2024 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2025 CCl3CHCl2 pentachloroethane ccl3chcl2  
2026 C6H5F Fluorobenzene bzf  
2027 C6H5Cl chlorobenzene bzcl  
2028 C6H5Br bromobenzene bzbr  
2029 C8H6 Calicene calicene  
2030 C6H5CCH phenylacetylene phac  
2031 C8H6 benzocyclobutadiene bcbd  
2032 C8H6 Pentalene pentalene  
2033 C6H5CHCH2 Styrene styrene  
2034 C8H8 cubane cubane  
2035 C8H8 cyclooctatetraene cot  
2036 C6H5CH2CH3 Ethylbenzene etbz  
2037 CH3C6H4CH3 meta-xylene mxylene  
2038 CH3C6H4CH3 paraxylene pxylene  
2039 C8H14 Bicyclo[2.2.2]octane bico222  
2040 C8H16 cyclooctane cyclooct  
2041 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2042 C8H18 Octane c8h18  
2043 C6H5CN phenyl cyanide phcn  
2044 C6H12N2 Triethylenediamine ted  
2045 C4O4-- squarate dianion c4o4--  
2046 S4N4 Tetrasulfur tetranitride s4n4  
2047 S8 Octasulfur s8  
2048 C6H4O2 parabenzoquinone pbq  
2049 C4H4N2O2 Uracil uracil  
2050 C6H5CHO benzaldehyde benzal  
2051 C6H5OCH3 Anisole anisole  
2052 C5H9NO2 Proline proline  
2053 C6H12O2 Methyl pivalate c598981  
2054 C6H12O2 Hexanoic acid hexa  
2055 C4F4 tetrafluorcyclobutadiene c4f4  
2056 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2057 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2058 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2059 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2060 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2061 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2062 C2F6 hexafluoroethane c2f6  
2063 C2Cl6 hexachloroethane c2cl6  
2064 IF7 Iodine heptafluoride if7  
2065 C6H4F2 metadifluorobenzene mdfb  
2066 C6H4F2 orthodifluorobenzene odfb  
2067 C6H4F2 1,4-difluorobenzene pdfb  
2068 C6H4Cl2 1,2-dichlorobenzene dcb12  
2069 C6H4Cl2 1,3-dichlorobenzene dcb13  
2070 C6H4Cl2 1,4-dichlorobenzene dcb14  
2071 C6H5NO nitrosobenzene bzno  
2072 C9H8 Indene indene  
2073 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2074 C9H12 n-propyl benzene prbz  
2075 C9H20 Nonane nonane  
2076 C(CN)4 tetracyanomethane c5n4  
2077 C5H4N4 purine purine  
2078 C8H7N Indole indole  
2079 C3H3N3O3 cyanuric acid cyanuric  
2080 C6H5NO2 Nitrobenzene c6h5no2  
2081 C6H5COOH benzoic acid benzo  
2082 CH3COC6H5 acetophenone acph  
2083 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2084 C3F6 hexafluoropropene c3f6  
2085 C6H3F3 Benzene trifluoride 123 bzf3a  
2086 C8H18O 1-Octanol octanol  
2087 C10H8 Azulene azu  
2088 C10H8 naphthalene naph  
2089 C10H10 bullvalene bullv  
2090 C10H16 adamantane adamantane  
2091 C6N4 Tetracyanoethylene tcne  
2092 C6N4- tetracyanoethylene anion tcne-  
2093 C10H22 Decane decane  
2094 C4F6 perfluorobutadiene c4f6  
2095 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2096 C3F8 perfluoropropane c3f8  
2097 Fe(CO)5 Iron pentacarbonyl ipc  
2098 Fe(C5H5)2 ferrocene fecp2  
2099 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2100 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2101 C12H8 Acenaphthylene acenaph  
2102 C12H8 biphenylene biph  
2103 C12H10 biphenyl biphenyl  
2104 C12H10 Heptalene heptalene  
2105 C6H12O6 Inositol inositol  
2106 C6F6 hexafluorobenzene c6f6  
2107 S2F10 disulphur decafluoride s2f10  
2108 C13H10 Fluorene fluorene  
2109 C14H10 Anthracene anth  
2110 C14H10 Phenanthrene phenanthrene  
2111 C14H14 Bibenzyl bibenzyl  
2112 C12H10N2 azobenzene azobenzene  
2113 C6H5COC6H5 benzophenone benzophenone  
2114 C16H10 Pyrene pyrene  
2115 C18H12 Tetracene tetracene  
2116 C19H16 Triphenylmethane tpm  
2117 C24H12 Coronene coronene  
2118 C60 Buckminsterfullerene c60