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)=FULL /3-21G

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count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 He Helium atom 1SKh
3 Li Lithium atom 2SKh
4 Na Sodium atom 2SKh
5 Na+ Sodium atom cation 1SKh
6 LiH Lithium Hydride 1ΣC∞v
7 NaH sodium hydride 1ΣC∞v
8 Be Beryllium atom 1SKh
9 Be+ Beryllium atom cation 2SKh
10 Mg Magnesium atom 1SKh
11 Mg+ Magnesium atom cation 2SKh
12 B Boron atom 2PKh
13 B Boron atom 4PKh
14 B+ Boron atom cation 1SKh
15 Al Aluminum atom 2PKh
16 Al+ Aluminum atom cation 1SKh
17 C Carbon atom 3P0Kh
18 C Carbon atom 3P1Kh
19 C+ Carbon atom cation 2PKh
20 Si Silicon atom 3PKh
21 Si Silicon atom 1SKh
22 Si+ Silicon atom cation 2PKh
23 CH4 Methane 1A1Td
24 N Nitrogen atom 4SKh
25 N Nitrogen atom 2DKh
26 N+ Nitrogen atom cation 3PKh
27 P Phosphorus atom 4SKh
28 NH3 Ammonia 1A1C3v
29 O Oxygen atom 3SKh
30 O+ Oxygen atom cation 4SKh
31 S Sulfur atom 3PKh
32 OH Hydroxyl radical 2ΠC∞v
33 H2O Water 1A1C2v
34 F Fluorine atom 2PKh
35 F+ Fluorine atom cation 3SKh
36 Cl Chlorine atom 2PKh
37 Cl+ Chlorine atom cation 3PKh
38 I Iodine atom 2PKh
39 HF Hydrogen fluoride 1ΣC∞v
40 HCl Hydrogen chloride 1ΣC∞v
41 Ne Neon atom 1SKh
42 Ne+ Neon atom cation 2PKh
43 Ar Argon atom 1SKh
44 Na2 Sodium diatomic 1ΣgD∞h
45 C2H2 Acetylene 1ΣgD∞h
46 C2H4 Ethylene 1AgD2h
47 C2H6 Ethane 1A1gD3d
48 N2 Nitrogen diatomic 1ΣgD∞h
49 CO Carbon monoxide 1ΣC∞v
50 NO Nitric oxide 2ΠC∞v
51 O2 Oxygen diatomic 3ΣgD∞h
52 H2CO Formaldehyde 1A1C2v
53 BF Boron monofluoride 1ΣC∞v
54 F2 Fluorine diatomic 1ΣgD∞h
55 Cl2 Chlorine diatomic 1ΣgD∞h
56 IF Iodine monofluoride 1ΣC∞v
57 ICl Iodine monochloride 1ΣC∞v
58 IBr Iodine monobromide 1ΣC∞v
59 C3H5 Allyl radical 2A2C2v
60 C3H6 Cyclopropane 1A1'D3h
61 CH2CHCH3 Propene 1A'Cs
62 CO2 Carbon dioxide 1ΣgD∞h
63 SO2 Sulfur dioxide 1A1C2v
64 BF3 Borane, trifluoro- 1A'D3h
65 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 anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na- Sodium atom anion na-  
20 K Potassium atom k  
21 K- Potassium atom anion k-  
22 K+ Potassium atom cation k+  
23 Cu Copper atom cu  
24 Cu- Copper atom anion cu-  
25 Cu+ Copper atom cation cu+  
26 LiH- lithium hydride anion lih-  
27 LiH+ lithium hydride cation lih+  
28 NaH- sodium hydride anion nah-  
29 NaH+ sodium hydride cation nah+  
30 KH Potassium hydride kh  
31 KH+ Potassium hydrogen cation kh+  
32 CuH Copper monohydride cuh  
33 Be- Beryllium atom anion be-  
34 Mg- Magnesium atom anion mg-  
35 Ca Calcium atom ca  
36 Ca- Calcium atom anion ca-  
37 Ca+ Calcium atom cation ca+  
38 Zn Zinc atom zn  
39 Zn- Zinc atom anion zn-  
40 Zn+ Zinc atom cation zn+  
41 BeH beryllium monohydride beh  
42 BeH- berylium monohydride anion beh-  
43 BeH+ beryllium monohydride cation beh+  
44 MgH magnesium monohydride mgh  
45 MgH- magnesium monohydride anion mgh-  
46 MgH+ magnesium monohydride cation mgh+  
47 CaH Calcium monohydride cah  
48 CaH+ Calcium monohydride cation cah+  
49 TiH Titanium monohydride tih  
50 ZnH Zinc monohydride znh  
51 ZnH+ Zinc, protonated znh+  
52 BeH2 beryllium dihydride beh2  
53 BeH2+ Beryllium dihydride cation beh2+  
54 MgH2 magnesium dihydride mgh2  
55 CaH2 Calcium Hydride cah2  
56 ZnH2 Zinc hydride znh2  
57 B- Boron atom anion b-  
58 Al- Aluminum atom anion al-  
59 Sc Scandium atom sc  
60 Sc+ Scandium cation sc+  
61 Ga Gallium atom ga  
62 Ga- Gallium atom anion ga-  
63 Ga+ Gallium atom cation ga+  
64 BH Boron monohydride bh  
65 BH- boron monohydride anion bh-  
66 BH+ boron monohydride cation bh+  
67 AlH aluminum monohydride alh  
68 AlH- aluminum monohydride anion alh-  
69 AlH+ aluminum monohydride cation alh+  
70 ScH Scandium monohydride sch  
71 ScH+ Scandium monohydride cation sch+  
72 GaH Gallium monohydride gah  
73 GaH+ Gallium monohydride cation gah+  
74 BH2 boron dihydride bh2  
75 BH2- boron dihydride anion bh2-  
76 BH2+ Boron dihydride cation bh2+  
77 AlH2 aluminum dihydride alh2  
78 AlH2- aluminum dihydride anion alh2-  
79 AlH2+ aluminum dihydride cation alh2+  
80 BH3 boron trihydride bh3  
81 BH3- boron trihydride anion bh3-  
82 BH3+ boron trihydride cation bh3+  
83 AlH3 aluminum trihydride alh3  
84 AlH3- aluminum trihydride anion alh3-  
85 AlH3+ aluminum trihydride cation alh3+  
86 ScH3 Scandium trihydride sch3  
87 GaH3 Gallium trihydride gah3  
88 BH4 borohydride bh4  
89 BH4- borohydride anion bh4-  
90 AlH4- Aluminum tetrahydride anion alh4-  
91 C- Carbon atom anion c-  
92 Si- Silicon atom anion si-  
93 Ti Titanium atom ti  
94 Ti- Titanium atom anion ti-  
95 Ti+ Titanium atom cation ti+  
96 Ge Germanium atom ge  
97 Ge- Germanium anion ge-  
98 Ge+ Germanium cation ge+  
99 Sn Tin atom sn  
100 Sn+ Tin cation sn+  
101 CH Methylidyne ch  
102 CH- methylidyne anion ch-  
103 CH+ Methylidyne cation ch+  
104 SiH Silylidyne sih  
105 SiH- silicon monohydride anion sih-  
106 SiH+ silicon monohydride cation sih+  
107 GeH germylidene geh  
108 GeH+ Germaniun monohyrdide cation geh+  
109 CH2 Methylene ch2  
110 CH2- methylene anion ch2-  
111 CH2+ methylene cation ch2+  
112 SiH2 silicon dihydride sih2  
113 SiH2- silicon dihydride anion sih2-  
114 SiH2+ silicon dihydride cation sih2+  
115 GeH2 germylene geh2  
116 GeH2- germylene anion geh2-  
117 CH3 Methyl radical ch3  
118 CH3- methyl anion ch3-  
119 CH3+ methyl cation ch3+  
120 SiH3 Silyl radical sih3  
121 SiH3- Silyl anion sih3-  
122 SiH3+ Silyl cation sih3+  
123 GeH3 Germyl radical geh3  
124 GeH3+ germyl cation geh3+  
125 CD4 methane-d4 cd4  
126 CH2D2 methane-d2 ch2d2  
127 CH3D methane-d ch3d  
128 CH4- Methane anion ch4-  
129 CH4+ Methane cation ch4+  
130 CHD3 methane-d3 chd3  
131 SiH2D2 silane-d2 sih2d2  
132 SiH4 Silane sih4  
133 SiH4+ Silane cation sih4+  
134 GeH4 Germane geh4  
135 SnH4 Stannane snh4  
136 SiH5+ Silane, protonated sih5+  
137 N- Nitrogen atom anion n-  
138 P- Phosphorus atom anion p-  
139 P+ Phosphorus atom cation p+  
140 V Vanadium atom v  
141 V+ Vanadium atom cation v+  
142 As Arsenic atomic as  
143 As- Arsenic anion as-  
144 As+ Arsenic cation as+  
145 Sb Antimony atom sb  
146 NH Imidogen nh  
147 NH- Imidogen anion nh-  
148 NH+ imidogen cation nh+  
149 PH phosphorus monohydride ph  
150 PH- phosphorus monohydride anion ph-  
151 PH+ phosphorus monohydride cation ph+  
152 AsH Arsenic monohydride ash  
153 AsH+ Arsenic monohydride cation ash+  
154 SbH Antimony monohydride sbh  
155 ND2 Amidogen-d2 nd2  
156 NH2 Amino radical nh2  
157 NH2- amino anion nh2-  
158 NH2+ Amino cation nh2+  
159 PH2 Phosphino radical ph2  
160 PH2- Phosphino anion ph2-  
161 PH2+ Phosphino cation ph2+  
162 AsH2 Arsenic dihydride ash2  
163 AsH2+ Arsenic dihydride cation ash2+  
164 ND3 Ammonia-d3 nd3  
165 NH3- Ammonia anion nh3-  
166 NH3+ ammonia cation nh3+  
167 PH3 Phosphine ph3  
168 PH3+ Phosphine cation ph3+  
169 AsH3 Arsine ash3  
170 AsH3+ Arsine cation ash3+  
171 SbH3 Stibine sbh3  
172 AsH4+ Arsonium ash4+  
173 NH4 Ammonium radical nh4  
174 NH4+ ammonium cation nh4+  
175 PH4 Phosphoranyl radical ph4  
176 PH4+ phosphonium cation ph4+  
177 O- Oxygen atom anion o-  
178 S- Sulfur atom anion s-  
179 S+ Sulfur atom cation s+  
180 Cr Chromium atom cr  
181 Se Selenium atom se  
182 Se- Selenium atom anion se-  
183 Se+ Selenium atom cation se+  
184 Te Tellurium atom te  
185 Te+ Tellurium atom cation te+  
186 DO Hydroxyl-d od  
187 OH- hydroxide anion oh-  
188 OH+ hydoxyl cation oh+  
189 DS Mercapto-d ds  
190 HS Mercapto radical hs  
191 HS- mercapto anion sh-  
192 HS+ sulfur monohydride cation sh+  
193 CrH Chromium hydride crh  
194 CrH+ Chromium hydride cation crh+  
195 HSe Selenium monohydride hse  
196 HSe- selenium monohydride anion hse-  
197 HSe+ selenium monohydride cation hse+  
198 TeH Telluryl radical teh  
199 D2O Deuterium oxide d2o  
200 H2O- water anion h2o-  
201 H2O+ water cation h2o+  
202 HDO Water-d1 hdo  
203 D2S Hydrogen sulfide-d2 d2s  
204 H2S Hydrogen sulfide h2s  
205 H2S- Hydrogen sulfide anion h2s-  
206 H2S+ Hydrogen sulfide cation h2s+  
207 H2Se Hydrogen selenide h2se  
208 H2Se+ Hydrogen selenide cation h2se+  
209 H2Te Hydrogen Telluride h2te  
210 H3O+ hydronium cation h3o+  
211 H3S+ Sulfonium cation h3s+  
212 H3Se+ Hydrogen Selenide, protonated h3se+  
213 F- Fluorine atom anion f-  
214 Cl- Chlorine atom anion cl-  
215 Mn Manganese atom mn  
216 Br Bromine atom br  
217 Br- Bromine atom anion br-  
218 Br+ Bromine atom cation br+  
219 I- Iodine atom anion iodine-  
220 I+ Iodine atom cation iodine+  
221 DF Hydrofluoric acid-d df  
222 HF- hydrogen fluoride anion hf-  
223 HF+ hydrogen fluoride cation hf+  
224 DCl Hydrochloric acid-d dcl  
225 HCl- hydrogen chloride anion hcl-  
226 HCl+ hydrogen chloride cation hcl+  
227 HBr hydrogen bromide hbr  
228 HBr- hydrogen bromide anion hbr-  
229 HBr+ hydrogen bromide cation hbr+  
230 HI Hydrogen iodide hi  
231 HI+ Hydrogen iodide cation hi+  
232 H2F+ dihydrogen fluoride cation h2f+  
233 H2Cl+ dihydrogen monochloride cation h2cl+  
234 H2Br+ protonated hydrogen bromide h2br+  
235 H2I+ Iodonium h2i+  
236 Ne- Neon atom anion ne-  
237 Ar- Argon atom anion ar-  
238 Ar+ Argon atom cation ar+  
239 Fe Iron atom fe  
240 Kr Krypton atom kr  
241 Kr+ Krypton cation kr+  
242 Xe Xenon atom xe  
243 HeLi+ Helium Lithium cation heli+  
244 NeH neon hydrogen neh  
245 NeH+ neon hydrogen cation neh+  
246 ArH+ Argon hydride cation arh+  
247 KrH+ Protonated Krypton krh+  
248 XeH+ Xenon, protonated xeh+  
249 H2Ar H2 Ar dimer h2ar  
250 Co Cobalt atom cobalt  
251 Ni Nickel atom ni  
252 Li2 Lithium diatomic li2  
253 Li2- lithium diatomic anion li2-  
254 Li2+ lithium diatomic cation li2+  
255 NaLi lithium sodium lina  
256 NaLi- lithium sodium anion lina-  
257 NaLi+ lithium sodium cation lina+  
258 LiK Lithium Potassium lik  
259 Na2- sodium diatomic anion na2-  
260 Na2+ sodium diatomic cation na2+  
261 NaK Sodium Potassium nak  
262 NaK+ Sodium Potassium diatomic cation nak+  
263 K2 Potassium diatomic k2  
264 Cu2 Copper diatomic cu2  
265 LiBe Lithium Beryllium libe  
266 LiMg Lithium magnesium limg  
267 NaBe Sodium Beryllium nabe  
268 NaMg Sodium Magnesium namg  
269 Be2 Beryllium diatomic be2  
270 Be2- Beryllium diatomic anion be2-  
271 Be2+ Beryllium diatomic cation be2+  
272 BeMg Beryllium Magnesium bemg  
273 Mg2 Magnesium diatomic mg2  
274 Mg2- magnesium diatomic anion mg2-  
275 Mg2+ magnesium diatomic cation mg2+  
276 Ca2 Calcium diatomic ca2  
277 LiB Lithium boride lib  
278 LiAl Lithium Aluminum lial  
279 NaAl Sodium aluminum naal  
280 BeB Beryllium monoboride beb  
281 B2 Boron diatomic b2  
282 B2- Boron diatomic anion b2-  
283 B2+ Boron diatomic cation b2+  
284 BAl Boron Aluminum bal  
285 Al2 Aluminum diatomic al2  
286 Al2- aluminum diatomic anion al2-  
287 Al2+ aluminum diatomic cation al2+  
288 BGa Boron Gallium bga  
289 AlGa Aluminum Gallium alga  
290 Ga2 Gallium diatomic ga2  
291 HBBH Diborane(2) hbbh  
292 LiBH4 Lithium borohydride libh4  
293 B2H4 Diborane(4) D2d b2h4  
294 HBHHBH Diborane(4) C2V hbhhbh  
295 B2H6 Diborane b2h6  
296 B2H6+ Diborane cation b2h6  
297 Al2H6 dialane al2h6  
298 Ga2H6 digallane ga2h6  
299 LiC Lithium Carbide lic  
300 BeC Beryllium Carbide bec  
301 CaC Calcium monocarbide cac  
302 BC boron monocarbide bc  
303 BC- boron monocarbide anion bc-  
304 BC+ boron monocarbide cation bc+  
305 AlC Aluminum carbide alc  
306 BSi Boron silicide bsi  
307 C2 Carbon diatomic c2  
308 C2- carbon diatomic anion c2-  
309 C2+ carbon diatomic cation c2+  
310 SiC silicon monocarbide sic  
311 SiC- silicon monocarbide anion sic-  
312 SiC+ silicon monocarbide cation sic+  
313 Si2 Silicon diatomic si2  
314 Si2- silcon diatomic anion si2-  
315 Si2+ silcon diatomic cation si2+  
316 GeC Germanium monocarbide gec  
317 SiGe Silicon Germanium sige  
318 Ge2 Germanium diatomic ge2  
319 C2H Ethynyl radical c2h  
320 C2H- Ethynyl anion c2h-  
321 C2H+ Ethynyl cation c2h+  
322 ZnCH2 Zinc methylene znch2  
323 C2H2+ acetylene cation c2h2+  
324 CCH2 vinylidene vinylidene  
325 H2CC- vinylidene anion h2cc-  
326 HCCH- acetylene anion c2h2-  
327 Si2H2 disilyne si2h2  
328 CH3Li methyl lithium ch3li  
329 CuCH3 monomethyl copper cuch3  
330 ZnCH3 Zinc monomethyl znch3  
331 CH2BH methyleneborane ch2bh  
332 C2H3 vinyl c2h3  
333 C2H3- vinyl anion c2h3-  
334 C2H3+ vinyl cation c2h3+  
335 C2H4- Ethylene anion c2h4-  
336 C2H4+ Ethylene cation c2h4+  
337 CH3CH methylmethylene ch3ch  
338 CH2SiH2 silaethylene ch2sih2  
339 Si2H4 Disilene si2h4  
340 CH3BH2 methylborane ch3bh2  
341 C2H5 Ethyl radical c2h5  
342 C2H5- Ethyl anion c2h5-  
343 C2H5+ Ethyl cation c2h5+  
344 C2H6+ ethane cation c2h6+  
345 CH3SiH3 methyl silane ch3sih3  
346 Si2H6 disilane si2h6  
347 GeH3CH3 methyl germane geh3ch3  
348 C2H7+ Ethane, protonated c2h7+  
349 LiN Lithium Nitride lin  
350 LiN+ Lithium Nitride cation lin+  
351 LiP Lithium monophosphide lip  
352 BeN Beryllium mononitride ben  
353 BeN- Beryllium mononitride anion ben-  
354 BeN+ Beryllium mononitride cation ben+  
355 MgN Magnesium Nitride mgn  
356 BN- boron nitride anion bn-  
357 AlN- aluminum mononitride anion aln-  
358 AlN+ aluminum mononitride cation aln+  
359 BP Boron monophosphide bp  
360 AlP Aluminum monophosphide alp  
361 GaN Gallium mononitride gan  
362 GaP Gallium monophosphide gap  
363 GaAs Gallium arsenide gaas  
364 BN boron nitride bn  
365 BN+ boron nitride cation bn+  
366 AlN Aluminum nitride aln  
367 CN Cyano radical cn  
368 CN- cyanide anion cn-  
369 CN+ Cyano cation cn+  
370 CP Carbon monophosphide cp  
371 CP- carbon monophosphide anion cp-  
372 CP+ carbon monophosphide cation cp+  
373 SiN Silicon nitride sin  
374 SiN- silicon mononitride anion sin-  
375 SiN+ silicon mononitride cation sin+  
376 SiP Silicon monophosphide sip  
377 SiP- Silicon monophosphide anion sip-  
378 SiP+ Silicon monophosphide cation sip+  
379 TiN Titanium mononitride tin  
380 N2- nitrogen diatomic anion n2-  
381 N2+ diatomic nitrogen cation n2+  
382 PN Phosphorus mononitride pn  
383 PN- phosphorus nitride anion pn-  
384 PN+ phosphorus nitride cation pn+  
385 P2 Phosphorus diatomic p2  
386 P2- phosphorus diatomic anion p2-  
387 P2+ phosphorus diatomic cation p2+  
388 AsN Arsenic mononitride asn  
389 AsP Arsenic monophosphide asp  
390 SbN Antimony nitride sbn  
391 As2 Arsenic diatomic as2  
392 HNB hydrogen nitrogen boron hnb  
393 HNC hydrogen isocyanide hnc  
394 HCN Hydrogen cyanide hcn  
395 HCN- Hydrogen cyanide anion hcn-  
396 HCN+ hydrogen cyanide cation hcn+  
397 HNC+ hydrogen isocyanide cation hnc+  
398 HCP Phosphaethyne hcp  
399 HCP+ Phosphaethyne cation hcp+  
400 NNH Dinitrogen monohydride nnh  
401 NNH+ Dinitrogen monohydride cation nnh+  
402 HPO Hydrogen phosphorus oxide hpo  
403 HPO+ Hydrogen phosphorus oxide cation hpo+  
404 LiNH2 lithium amide linh2  
405 HBNH Boranimine hbnh  
406 CNH2 Aminomethylidyne radical cnh2  
407 CNH2+ N-protonated hydrogen isocyanide cnh2+  
408 H2CN Dihydrogen cyanide radical h2cn  
409 H2CN+ hydrocyanonium cation h2cn+  
410 HCNH methyleneazane hcnh  
411 HCNH+ N-protonated HCN hcnh+  
412 H2NN Isodiazene h2nn  
413 N2H2 (E)-diazene n2h2  
414 N2H2 (Z)-Diazene n2h2z  
415 N2H2+ trans-diazene cation n2h2+  
416 CH2NH Methanimine ch3n  
417 CH2NH+ Methanimine cation ch2nh+  
418 CHNH2 aminomethylene chnh2  
419 CHNH2+ Aminocarbene cation chnh2+  
420 CH2PH Phosphaethene ch3p  
421 BH2NH2 Boranamine bh2nh2  
422 CH2NH2+ methyleneamine cation ch2nh2+  
423 N2H4 Hydrazine n2h4  
424 N2H4+ hydrazine cation n2h4+  
425 P2H4 Diphosphine p2h4  
426 CH3NH2 methyl amine ch3nh2  
427 CH3NH2+ methyl amine cation ch3nh2+  
428 CH3PH2 Methyl phosphine ch3ph2  
429 SiH3NH2 Silane, amino sih3nh2  
430 N2H5+ protonated hydrazine n2h5+  
431 BH3PH3 borane phosphine bh3ph3  
432 BH3NH3 borane ammonia bh3nh3  
433 CH3NH3 methyl ammonium radical ch3nh3  
434 CH3NH3+ protonated methylamine ch3nh3+  
435 CH3PH3+ methyl phosphine, protonated ch3ph3+  
436 NH3NH3 Ammonia Dimer nh3nh3  
437 N2H7+ ammonia ammonium dimer n2h7+  
438 LiO lithium oxide lio  
439 LiO- lithium oxide anion lio-  
440 LiO+ lithium oxide cation lio+  
441 LiS Lithium monosulfide lis  
442 LiS+ Lithium sulfide cation lis+  
443 NaO sodium monoxide nao  
444 NaO- sodium oxide anion nao-  
445 NaO+ sodium oxide cation nao+  
446 KO Potassium monoxide ko  
447 KO+ Potassium monoxide cation ko+  
448 NaS Sodium sulfide nas  
449 CuO Copper Monoxide cuo  
450 LiSe Lithium monoselenide lise  
451 BeO beryllium oxide beo  
452 BeO- Beryllium monoxide anion beo-  
453 BeO+ Beryllium monoxide cation beo+  
454 BeS beryllium sulfide bes  
455 MgO magnesium oxide mgo  
456 MgO- magnesium oxide anion mgo-  
457 MgO+ magnesium oxide cation mgo+  
458 CaO Calcium monoxide cao  
459 MgS magnesium sulfide mgs  
460 MgS- magnesium sulfide anion mgs-  
461 MgS+ magnesium sulfide cation mgs+  
462 CaS Calcium sulfide cas  
463 ZnO zinc monoxide zno  
464 ZnS Zinc sulfide zns  
465 BeS- Beryllium monosulfide anion bes-  
466 BeS+ Beryllium monosulfide cation bes+  
467 BO boron monoxide bo  
468 BO- boron monoxide anion bo-  
469 AlO Aluminum monoxide alo  
470 AlO- Aluminum monoxide anion alo-  
471 AlO+ aluminum monoxide cation alo+  
472 BS boron sulfide bs  
473 BS- boron monosulfide anion bs-  
474 BS+ boron monosulfide cation bs+  
475 AlS Aluminum sulfide als  
476 AlS- aluminum monosulfide anion als-  
477 AlS+ aluminum monosulfide cation als+  
478 ScO Scandium monoxide sco  
479 GaO Gallium monoxide gao  
480 GaS Gallium monosulfide gas  
481 BO+ boron monoxide cation bo+  
482 CO- carbon monoxide anion co-  
483 CO+ carbon monoxide cation co+  
484 CS carbon monosulfide cs  
485 CS- carbon monosulfide anion cs-  
486 CS+ carbon monosulfide cation cs+  
487 SiO Silicon monoxide sio  
488 SiO- silicon monoxide anion sio-  
489 SiO+ silicon monoxide cation sio+  
490 SiS silicon monosulfide sis  
491 SiS- silicon monosulfide anion sis-  
492 SiS+ silicon monosulfide cation sis+  
493 TiO Titanium monoxide tio  
494 CSe Carbon monoselenide cse  
495 CSe- Carbon monoselenide anion cse-  
496 CSe+ Carbon monoselenide cation cse+  
497 GeO Germanium monoxide geo  
498 GeO+ Germanium monoxide cation geo+  
499 GeS Germanium monosulfide ges  
500 SiSe Silicon Monoselenide sise  
501 SiSe+ Silicon Monoselenide cation sise+  
502 GeSe Germanium monoselenide gese  
503 NO- nitric oxide anion no-  
504 NO+ nitric oxide cation no+  
505 NS Mononitrogen monosulfide ns  
506 NS- nitrogen sulfide anion ns-  
507 NS+ nitrogen sulfide cation ns+  
508 PO Phosphorus monoxide po  
509 PO- phosphorus monoxide anion po-  
510 PO+ phosphorus monoxide cation po+  
511 PS phosphorus sulfide ps  
512 PS- phosphorus monosulfide anion ps-  
513 PS+ phosphorus monosulfide cation ps+  
514 VO Vanadium monoxide vo  
515 AsO Arsenic monoxide aso  
516 NSe Nitrogen monoselenide nse  
517 AsS Arsenic monosulfide ass  
518 PSe Phosphorus monoselenide pse  
519 AsSe Arsenic monoselenide asse  
520 O2- oxygen diatomic anion o2-  
521 O2-- dioxygen dianion o2--  
522 O2+ diatomic oxygen cation o2+  
523 SO Sulfur monoxide so  
524 SO- sulfur monoxide anion so-  
525 SO+ sulfur monoxide cation so+  
526 S2 Sulfur diatomic s2  
527 S2- sulfur diatomic anion s2-  
528 S2+ sulfur diatomic cation s2+  
529 SeO Selenium monoxide seo  
530 SeO- selenium monoxide anion seo-  
531 SeO+ selenium monoxide cation seo+  
532 SeS Selenium monosulfide ses  
533 SeS- selenium monosulfide anion ses-  
534 SeS+ selenium monosulfide cation ses+  
535 TeO Tellurium monoxide teo  
536 Se2 Selenium diatomic se2  
537 Se2- selenium diatomic anion se2-  
538 Se2+ selenium diatomic cation se2+  
539 Te2 Tellurium diatomic te2  
540 LiOH lithium hydroxide lioh  
541 NaOH sodium hydroxide naoh  
542 KOH Potassium hydroxide koh  
543 BeOH beryllium monohydroxide beoh  
544 MgOH magnesium hydroxide mgoh  
545 CaOH Calcium monohydroxide caoh  
546 HBO Boron hydride oxide hbo  
547 HBS hydrogen boron sulfide hbs  
548 COH Hydroxymethylidyne coh  
549 COH+ Carbon Monoxide, protonated coh+  
550 HCO Formyl radical hco  
551 HCO- formyl anion hco-  
552 HCO+ Formyl cation hco+  
553 HCS Thioformyl radical hcs  
554 HCS- Thioformyl anion hcs-  
555 HCS+ Thioformyl cation hcs+  
556 HNO Nitrosyl hydride hno  
557 HNO- Nitrosyl hydride anion hno-  
558 HNO+ Nitrosyl hydride cation hno+  
559 NOH Hydroxyimidogen noh  
560 NOH+ O-protonated nitric oxide noh+  
561 HNS Sulfur imide hns  
562 HNS- Sulfur imide anion hns-  
563 HO2 Hydroperoxy radical ho2  
564 HO2- Hydroperoxy anion ho2-  
565 HO2+ Hydroperoxy cation ho2+  
566 HSO+ Sulfur Monoxide, S-protonated HSO+  
567 SOH Sulfur Hydroxide soh  
568 SOH+ Sulfur Monoxide, protonated soh+  
569 HS2 Thiosulfeno radical hs2  
570 H2CO- formaldehyde anion h2co-  
571 H2CO+ formaldehyde cation h2co+  
572 HOCH hydroxycarbene hoch  
573 H2CS Thioformaldehyde h2cs  
574 H2CS- thioformaldehyde anion h2cs-  
575 H2CS+ thioformaldehyde cation h2cs+  
576 H2CSe Selenoformaldehyde h2cse  
577 H2NO nitroxide h2no  
578 H2O2 Hydrogen peroxide h2o2  
579 H2O2+ Hydrogen peroxide cation h2o2+  
580 H2OO water oxide h2oo  
581 HOSH hydrogen thioperoxide hosh  
582 H2S2 Disulfane h2s2  
583 H2S2+ hydrogen disulfide cation h2s2+  
584 H2Se2 hydrogen diselenide h2se2  
585 CH2OH Hydroxymethyl radical ch2oh  
586 CH2OH+ hydroxymethyl cation ch2oh+  
587 CH3O Methoxy radical ch3o  
588 CH3O- methoxy anion ch3o-  
589 CH3O+ Methoxy cation ch3o+  
590 CH3S thiomethoxy ch3s  
591 H2CSH+ Thioformaldehyde, protonated h2csh+  
592 NH2OH hydroxylamine nh2oh  
593 NH2OH+ Hydroxylamine cation nh2oh+  
594 NH3O Ammonia Oxide nh3o  
595 H2POH Phosphinous acid h2poh  
596 H3PO Phosphine oxide h3po  
597 NH2SH Thiohydroxylamine nh2sh  
598 NH3S sulfidoazane nh3s  
599 H3O2+ hydrogen peroxide, protonated h3o2+  
600 CH3OH Methyl alcohol ch3oh  
601 CH3OH- Methyl alcohol anion ch3oh-  
602 CH3OH+ Methyl alcohol cation ch3oh+  
603 CH3SH Methanethiol ch3sh  
604 CH3SH+ Methanethiol cation ch3sh+  
605 SiH3OH silanol sih3oh  
606 CH3SeH Methane selenol ch3seh  
607 NH2OH2+ protonated hydroxylamine nh2oh2+  
608 NH3OH+ N-protonated hydroxylamine nh3oh+  
609 H2OH2O water dimer h2oh2o  
610 CH3OH2+ Methanol, protonated ch3oh2+  
611 CH3SH2+ protonated methylsulfide ch3sh2+  
612 H2ONH3 Water Ammonia Dimer h2onh3  
613 H5O2+ Dihydroxonium ion h5o2+  
614 LiF lithium fluoride lif  
615 LiCl lithium chloride licl  
616 LiCl- lithium chloride anion licl-  
617 LiCl+ lithium chloride cation licl+  
618 NaF sodium fluoride naf  
619 NaF- sodium fluoride anion naf-  
620 NaF+ sodium fluoride cation naf+  
621 KF Potassium Fluoride kf  
622 NaCl Sodium Chloride nacl  
623 NaCl- sodium chloride anion nacl-  
624 NaCl+ sodium chloride cation nacl+  
625 KCl Potassium Chloride kcl  
626 CuF Copper monofluoride cuf  
627 LiBr Lithium Bromide libr  
628 LiBr- lithium bromide anion libr-  
629 LiBr+ lithium bromide cation libr+  
630 CuCl Copper monochloride cucl  
631 NaBr Sodium Bromide nabr  
632 NaBr- sodium bromide anion nabr-  
633 NaBr+ sodium bromide cation nabr+  
634 KBr Potassium Bromide kbr  
635 LiI Lithium Iodide lii  
636 NaI Sodium Iodide nai  
637 KI Potassium Iodide ki  
638 LiF- lithium fluoride anion lif-  
639 LiF+ lithium fluoride cation lif+  
640 BeF Beryllium monofluoride bef  
641 BeF- Beryllium monofluoride anion bef-  
642 BeF+ Beryllium monofluoride cation bef+  
643 BeCl beryllium monochloride becl  
644 MgF Magnesium monofluoride mgf  
645 MgF- magnesium fluoride anion mgf-  
646 MgF+ magnesium fluoride cation mgf+  
647 CaF Calcium monofluoride caf  
648 MgCl magnesium monochloride mgcl  
649 MgCl- magnesium monochloride anion mgcl-  
650 MgCl+ magnesium monochloride cation mgcl+  
651 CaCl calcium monochloride cacl  
652 TiCl Titanium Monochloride ticl  
653 ZnF Zinc monofluoride znf  
654 ZnF- Zinc monofluoride anion znf-  
655 ZnF+ Zinc monofluoride cation znf+  
656 ZnCl Zinc monochloride zncl  
657 CaBr Calcium monobromide cabr  
658 BeCl- beryllium monochloride anion becl-  
659 BeCl+ beryllium monochloride cation becl+  
660 BF- Boron monofluoride anion bf-  
661 BF+ Boron monofluoride cation bf+  
662 AlF Aluminum monofluoride alf  
663 AlF- Aluminum monofluoride anion alf-  
664 AlF+ Aluminum monofluoride cation alf+  
665 BCl boron monochloride bcl  
666 BCl- boron monochloride anion bcl-  
667 BCl+ boron monochloride cation bcl+  
668 AlCl Aluminum monochloride alcl  
669 AlCl- aluminum monochloride anion alcl-  
670 AlCl+ aluminum monochloride cation alcl+  
671 ScF Scandium monofluoride scf  
672 BBr Boron monobromide bbr  
673 GaF Gallium monofluoride gaf  
674 GaF+ Gallium monofluoride cation gaf+  
675 AlBr Aluminum monobromide albr  
676 GaCl Gallium monochloride gacl  
677 GaCl+ Gallium monochloride cation gacl+  
678 AlI Aluminum monoiodide ali  
679 GaBr Gallium monobromide gabr  
680 CF Fluoromethylidyne cf  
681 CF- carbon monofluoride anion cf-  
682 CF+ carbon monofluoride cation cf+  
683 CCl carbon monochloride ccl  
684 CCl- carbon monochloride anion ccl-  
685 CCl+ carbon monochloride cation ccl+  
686 SiF silicon monofluoride sif  
687 SiF- silicon monofluoride anion sif-  
688 SiF+ silicon monofluoride cation sif+  
689 SiCl Clorosilylidyne sicl  
690 SiCl- silicon monochloride anion sicl-  
691 SiCl+ silicon monochloride cation sicl+  
692 CBr Carbon monobromide cbr  
693 GeF Germanium monofluoride gef  
694 GeF+ Germanium monofluoride cation gef+  
695 GeCl Germanium monochloride gecl  
696 GeCl+ Germanium monochloride cation gecl+  
697 SiBr Silicon monobromide sibr  
698 SiBr+ Silicon monobromide cation sibr+  
699 NF nitrogen fluoride nf  
700 NF- nitrogen monofluorine anion nf-  
701 NF+ nitrogen monofluoirde cation nf+  
702 NCl nitrogen monochloride ncl  
703 NCl- nitrogen monochloride anion ncl-  
704 NCl+ nitrogen monochloride cation ncl+  
705 PF phosphorus monofluoride pf  
706 PF- phosphorus monofluoride anion pf-  
707 PF+ phosphorus monofluoride cation pf+  
708 PCl phosphorus chloride pcl  
709 PCl- phosphorus monochloride anion pcl-  
710 PCl+ phosphorus monochloride cation pcl+  
711 AsF Arsenic monofluoride asf  
712 NBr nitrogen monobromide nbr  
713 AsCl Arsenic monochloride ascl  
714 PBr Phosphorus monobromide pbr  
715 SbF Antimony monofluoride sbf  
716 SbCl Antimony monochloride sbcl  
717 FO Oxygen monofluoride fo  
718 FO- flourine oxide anion fo-  
719 FO+ fluorine monoxide cation fo+  
720 ClO Monochlorine monoxide clo  
721 ClO- chlorine monoxide anion clo-  
722 ClO+ chlorine monoxide cation clo+  
723 SF Monosulfur monofluoride sf  
724 SF- sulfur monofluoride anion sf-  
725 SF+ sulfur monofluoride cation sf+  
726 SCl sulfur monochloride scl  
727 SCl- sulfur monochloride anion scl-  
728 SCl+ sulfur monochloride cation scl+  
729 BrO Bromine monoxide bro  
730 BrO- Bromine monoxide anion bro-  
731 BrO+ Bromine monoxide cation bro+  
732 SeF Selenium monofluoride sef  
733 SBr Sulfur monobromide radical sbr  
734 SBr+ Sulfur monobromide cation sbr+  
735 SeCl Selenium monochloride secl  
736 IO Iodine monoxide io  
737 SeBr Selenium monobromide sebr  
738 BrCl Bromine monochloride brcl  
739 F2- flourine diatomic anion f2-  
740 F2+ flourine diatomic cation f2+  
741 ClF Chlorine monofluoride clf  
742 ClF- clorine monofluoride anion clf-  
743 ClF+ clorine monofluoride cation clf+  
744 Cl2- chlorine diatomic anion cl2-  
745 Cl2+ chlorine diatomic cation cl2+  
746 BrF Bromine monofluoride brf  
747 BrF- bromine fluoride anion brf-  
748 BrF+ bromine fluoride cation brf+  
749 BrCl- bromine chloride anion brcl-  
750 BrCl+ bromine chloride cation brcl+  
751 Br2 Bromine diatomic br2  
752 Br2- bromine diatomic anion br2-  
753 Br2+ bromine diatomic cation br2+  
754 I2 Iodine diatomic i2  
755 I2+ Iodine diatomic cation i2+  
756 HCF Fluoromethylene hcf  
757 HCCl Chloromethylene hccl  
758 HSiF fluorosilylene hsif  
759 HSiCl Chlorosilylene hsicl  
760 HSiBr monobromosilylene hsibr  
761 CHBr bromomethylene chbr  
762 HOF Hypofluorous acid hfo  
763 DOCl Hypochlorous acid-d docl  
764 HOCl hypochlorous acid hocl  
765 HOCl+ hypochlorous acid cation hocl+  
766 HOBr Hypobromous acid hobr  
767 HOBr+ Hypobromous acid cation hobr+  
768 HOI Hypoiodous acid hoi  
769 F2H+ Fluorine, protonated f2h+  
770 FHF Hydrogen difluoride fhf  
771 FHF- Hydrogen difluoride anion fhf-  
772 ClFH+ Chlorine fluoride, F-protonated clfh+  
773 FClH+ Chlorine fluoride, Cl-protonated fclh+  
774 Cl2H+ Chlorine, protonated cl2h+  
775 CH2Br bromomethyl radical ch2br  
776 CH2F fluoromethyl radical ch2f  
777 CH2F+ fluoromethyl cation ch2f+  
778 CH2Cl+ chloromethyl cation ch2cl+  
779 CH2Cl chloromethyl radical ch2cl  
780 NH2F monofluoroamine nh2f  
781 NH2Cl chloramine nh2cl  
782 H2F2 Hydrogen fluoride dimer h2f2  
783 CH3F+ methyl fluoride cation ch3f+  
784 CD3F methylfluoride-d3 cd3f  
785 CH3F Methyl fluoride ch3f  
786 CD3Cl methyl chloride d3 cd3cl  
787 CH3Cl Methyl chloride ch3cl  
788 CH3Cl+ Methyl chloride cation ch3cl+  
789 SiH3F monofluorosilane sih3f  
790 SiH3Cl chlorosilane sih3cl  
791 CH3Br methyl bromide ch3br  
792 GeH3F monofluorogermane geh3f  
793 GeH3Cl monochlorogermane geh3cl  
794 SiH3Br bromosilane sih3br  
795 CH3I methyl iodide ch3i  
796 SiH3I Silyl Iodide sih3i  
797 NH3Cl+ protonated monochloroammonia nh3cl+  
798 CH3ClH+ methyl chloride, protonated ch3clh+  
799 NH4Cl Ammonium chloride nh4cl  
800 LiNe+ Lithium Neon cation line+  
801 Ne2 Neon diatomic ne2  
802 Ne2+ Neon diatomic cation ne2+  
803 Ar2 Argon diatomic ar2  
804 Ar2+ Argon diatomic cation ar2+  
805 Li3 Lithium trimer li3  
806 Li3+ Lithium trimer cation li3+  
807 C3 carbon trimer c3  
808 C3+ carbon trimer cation c3+  
809 SiC2 Silicon dicarbide sic2  
810 C3H3 cyclopropenyl radical cpr  
811 C3H3 Propargyl radical propargyl  
812 C3H3- Propargyl anion c3h3-  
813 C3H3+ cyclopropenyl cation cpr+  
814 C3H3+ Propargyl cation c3h3+  
815 C3H4 cyclopropene cprop  
816 CH2CCH2 allene allene  
817 CH3CCH propyne propyne  
818 C3H5+ Allyl cation allyl+  
819 CH3CHCH 1-propenyl radical ch3chch  
820 Zn(CH3)2 dimethyl zinc dmz  
821 C3H7 n-Propyl radical npropyl  
822 C3H7+ cyclopropane, protonated c3h7+  
823 CH3CHCH3 Isopropyl radical isopropyl  
824 CH3CHCH3+ Isopropyl cation prop2yl+  
825 C3H8 Propane propane  
826 SiH2(CH3)2 dimethylsilane dms  
827 Si3H8 trisilane si3h8  
828 LiCN lithium cyanide licn  
829 NaCN Sodium Cyanide nacn  
830 KCN Potassium cyanide kcn  
831 CuCN Copper cyanide cucn  
832 ZnCN Zinc monocyanide zncn  
833 ZnNC Zinc isocyanide znnc  
834 AlCN Aluminum monocyanide alcn  
835 AlNC Aluminum isocyanide alnc  
836 CN2 3H-Diazirin-3-ylidene cn2  
837 CNN Diazocarbene cnn  
838 NCN Cyanoimidogen ncn  
839 N3 azide radical n3  
840 N3- azide anion n3-  
841 N3+ azide cation n3+  
842 HCCN cyanomethylene hccn  
843 HCNN diazomethyl radical hcnn  
844 HN3 hydrogen azide hn3  
845 HN3+ Hydrazoic acid cation hn3+  
846 HNCNH diiminomethane hncnh  
847 CH2N2 diazirine ch2n2  
848 CH2NN diazomethane ch2nn  
849 NH2CN cyanamide cyanamide  
850 HNNNH+ 1,2-Triazadienium n2h3+  
851 NH2NN+ hydrazoic acid, protonated nh2nn+  
852 CH3CN Acetonitrile ch3cn  
853 CH3CN- acetonitrile anion ch3cn-  
854 CH3CN+ Acetonitrile cation ch3cn+  
855 CH3NC methyl isocyanide ch3nc  
856 CHNCH2 2H-Azirine c157164  
857 CHNHCH 1H-Azirine chnhch  
858 H2CCNH Ethenimine ch2cnh  
859 H2CNCH methyleneaminomethylene ch2nch  
860 HCCNH2 Ethynamine hccnh2  
861 HCNCH2+ 2H-Azirine cation hcnch2+  
862 HNCNH2+ diiminomethane, protonated hncnh2+  
863 NCNH3+ Cyanamide, protonated ncnh3+  
864 NH2CNH+ cyanamide, cn protonated nh2cnh+  
865 NH3CN+ cyanamide, amine protonated nh3cn+  
866 CH2CHNH vinylazine ch2chnh  
867 CH3CHN methylmethaniminyl radical ch3chn  
868 NHCHNH2 aminomethanimine cn2h4  
869 C2H5N Aziridine c2h5n  
870 CH2CHNH2 aminoethene aminoethene  
871 CH2NCH3 N-methylmethanimine nmm  
872 CH3CHNH ethanimine ethanimine  
873 NH2BHNH2 diaminoborane nh2bhnh2  
874 C2H5NH+ Protonated Aziridine c2h5nh+  
875 C2H6N+ aziridine, protonated c2h6n+  
876 NH2CH2NH2 diaminomethane nh2ch2nh2  
877 CH3CH2NH2 Ethylamine etam  
878 CH3NHCH3 Dimethylamine ch3nhch3  
879 CH3PHCH3 dimethylphosphine ch3phch3  
880 NH2CH2NH3+ diaminoethane, protonated pdam  
881 (CH3)2NH2+ dimethylammonium cation dmam  
882 CH3CH2NH3+ ethylamine, protonated pea  
883 Li2O dilithium oxide li2o  
884 Li2O+ dilithium oxide cation li2o+  
885 Li2S dilithium sulfide li2s  
886 Na2O disodium monoxide na2o  
887 Na2S Sodium sulfide na2s  
888 LiO2 Lithium dioxide lio2  
889 NaO2 Sodium superoxide nao2  
890 CCO Dicarbon monoxide cco  
891 CNO- fulminate cno-  
892 NCO isocyanato radical nco  
893 NCO- cyanate nco-  
894 SCN thiocyanato radical scn  
895 SCN- thiocyanide anion scn-  
896 BO2 Boron dioxide bo2  
897 BO2- Boron dioxide anion bo2-  
898 BO2+ Boron dioxide cation bo2+  
899 N2O Nitrous oxide n2o  
900 N2O- Nitrous oxide anion n2o-  
901 N2O+ Nitrous oxide cation n2o+  
902 NNS Nitrogen sulfide nns  
903 PPO Phosphorus oxide phosphide ppo  
904 CO2- Carbon dioxide anion co2-  
905 CO2+ Carbon dioxide cation co2+  
906 OCS Carbonyl sulfide cos  
907 OCS+ Carbonyl sulfide cation cos+  
908 SiO2 silicon dioxide sio2  
909 CS2 Carbon disulfide cs2  
910 CS2- Carbon disulfide anion cs2-  
911 CS2+ Carbon disulfide cation cs2+  
912 TiO2 Titanium dioxide tio2  
913 SiS2 Silicon disulfide sis2  
914 GeO2 Germanium dioxide geo2  
915 OCSe Carbonyl selenide ocse  
916 SCSe Carbon sulfide selenide scse  
917 GeS2 Germanium disulfide ges2  
918 CSe2 Carbon diselenide cse2  
919 SCTe Carbon sulfide Telluride scte  
920 NO2 Nitrogen dioxide no2  
921 NO2- Nitrogen dioxide anion no2-  
922 NO2+ Nitrogen dioxide cation no2+  
923 NSO sulfinyl amidogen NSO  
924 PO2 Phosphorus dioxide po2  
925 PO2- Phosphorus dioxide anion po2-  
926 PO2+ Phosphorus dioxide cation po2+  
927 SNO Nitrogen oxide sulfide sno  
928 AsO2 Aresenic dioxide aso2  
929 O3 Ozone o3  
930 O3- Ozone anion o3-  
931 O3+ Ozone cation o3+  
932 SO2- Sulfur dioxide anion so2-  
933 SO2+ Sulfur dioxide cation so2+  
934 SSO Disulfur monoxide sso  
935 S3 Sulfur trimer s3  
936 S3- Sulfur trimer anion s3-  
937 S3+ Sulfur trimer cation s3+  
938 SeO2 Selenium dioxide seo2  
939 SeO2+ Selenium dioxide cation seo2+  
940 TeO2 Tellurium Dioxide teo2  
941 HCCO ketenyl radical ketenyl  
942 CS2H+ Carbon disulfide, protonated cs2h+  
943 HCNO fulminic acid hcno  
944 HNCO Isocyanic acid hnco  
945 HOCN cyanic acid hocn  
946 HNCS Isothiocyanic acid hncs  
947 HSCN thiocyanic acid hscn  
948 HCO2- formate anion hco2-  
949 HNNO nitrosoazane hnno  
950 HNNO+ Nitrous oxide, N-protonated hnno+  
951 NNOH+ Nitrous Oxide, O-protonated nnoh+  
952 HCOO formate neutral radical hcoo  
953 HOCO Hydrocarboxyl radical hoco  
954 HOCO+ Hydrocarboxyl cation hoco+  
955 HNO2 Nitrous acid hno2  
956 HNO2+ nitrous acid cation hno2+  
957 O3H+ protonated ozone o3h+  
958 SO2H+ protonated sulfur dioxide so2h+  
959 C2H2O Oxirene oxirene  
960 CH2CO Ketene ch2co  
961 CH2CO+ Ketene cation ch2co+  
962 HCCOH ethynol hccoh  
963 CH2CS Thioketene ch2cs  
964 Be(OH)2 Beryllium hydroxide beo2h2  
965 Mg(OH)2 Magnesium dihydroxide h2mgo2  
966 NH2NO Nitrosamide nh2no  
967 CH2O2 Dioxirane diox  
968 H2COO Dioxymethyl radical h2coo  
969 H2COO+ dioxymethyl cation h2coo+  
970 HCOOH Formic acid ch2o2  
971 H2O3 Hydrogen trioxide h2o3  
972 HSSSH trisulfane hsssh  
973 NaOCH3 Sodium methoxide naoch3  
974 CH2BOH hydroxy(methylene)borane ch2boh  
975 BH3CO Borane carbonyl bh3co  
976 CH3BO Borane, methyloxo- ch3bo  
977 CH2CHO Vinyloxy radical ch2cho  
978 CH2COH+ ketene, protonated ch2coh+  
979 CH3CO Acetyl radical ch3co  
980 CH3CO- Acetyl anion ch3co-  
981 CH3CO+ acetyl cation ch3co+  
982 CH2NOH formaldoxime ch2noh  
983 CH3NO nitrosomethane ch3no  
984 CHONH2 formamide formamide  
985 CNOH3 1,2-oxaziridine cnoh3  
986 HOCHNH hydroxymethylimine hochnh  
987 CHSNH2 thioformamide chsnh2  
988 NHCHSH Methanimidothioic acid nhchsh  
989 CH2OOH CH2OOH radical ch2ooh  
990 CH3OO methylperoxy radical ch3oo  
991 CH3OO- methylperoxy anion ch3oo-  
992 CH3OO+ methylperoxy cation ch3oo+  
993 C2H4O Ethylene oxide c2h4o  
994 C2H4O+ ethylene oxide cation c2h4o+  
995 CH2CHOH ethenol ch2choh  
996 CH3CHO Acetaldehyde ch3cho  
997 CH3CHO+ acetaldehyde cation ch3cho+  
998 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
999 C2H4S Thiirane thiirane  
1000 CH2CHSH Ethenethiol ch2chsh  
1001 CH3CHS Thioacetaldehyde ch3chs  
1002 H2CONH2+ protonated formamide h2conh2+  
1003 NH2CHOH+ Formamide, O-protonated nh2choh+  
1004 NH3CHO+ Formamide, N-Protonated nh3cho+  
1005 CH2(OH)2 methanediol ch2o2h2  
1006 CH3OOH Methyl peroxide ch3ooh  
1007 CH3SSH Hydrogen methyl disulfide ch3ssh  
1008 HSCH2SH Methanedithiol ch4s2  
1009 H2OH2CO water formaldehyde dimer h2oh2co  
1010 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1011 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1012 CH3CH2O Ethoxy radical ethoxy  
1013 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1014 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1015 CH3OCH2 methoxymethyl radical ch3och2  
1016 NH2CH2OH aminomethanol nh2ch2oh  
1017 CH3CH2OH Ethanol etoh  
1018 CH3OCH3 Dimethyl ether meome  
1019 CH3CH2SH ethanethiol etsh  
1020 CH3SCH3 Dimethyl sulfide mesme  
1021 CH3SCH3+ dimethyl sulfide cation mesme+  
1022 CH3SeCH3 dimethylselenide dmse  
1023 CH3OHH2O methanol water dimer ch3ohh2o  
1024 H2OCH3OH water methanol dimer h2och3oh  
1025 CuF2 Copper difluoride cuf2  
1026 ZnF2 Zinc difluoride znf2  
1027 CNF iso cyanogen fluoride cnf  
1028 FCN Cyanogen fluoride fcn  
1029 ClCN chlorocyanogen clcn  
1030 BrCN Cyanogen bromide brcn  
1031 ICN Cyanogen iodide icn  
1032 FBO Boron monofluoride monoxide fbo  
1033 BeF2 Beryllium fluoride bef2  
1034 MgF2 Magnesium fluoride mgf2  
1035 BeCl2 Beryllium chloride becl2  
1036 MgCl2 Magnesium dichloride mgcl2  
1037 CaCl2 Calcium Chloride cacl2  
1038 ZnCl2 Zinc dichloride zncl2  
1039 BeBr2 Beryllium bromide bebr2  
1040 CaBr2 Calcium dibromide cabr2  
1041 CaF2 Calcium difluoride caf2  
1042 FCO Carbonyl fluoride fco  
1043 FCO+ Carbonyl fluoride cation fco+  
1044 ClCO carbonyl monochloride clco  
1045 BF2 Boron difluoride radical bf2  
1046 FNO Nitrosyl fluoride fno  
1047 ClNO Nitrosyl chloride clno  
1048 FNS Thionitrosyl fluoride fns  
1049 FSN Thiazyl fluoride fsn  
1050 OPCl Phosphorus oxychloride opcl  
1051 BrNO Nitrosyl bromide brno  
1052 INO Nitrosyl iodide ino  
1053 CF2 Difluoromethylene cf2  
1054 CF2- Difluoromethylene anion cf2-  
1055 CF2+ Difluoromethylene cation cf2+  
1056 CFCl chlorofluoromethylene cfcl  
1057 SiF2 Silicon difluoride sif2  
1058 SiF2+ Silicon difluoride cation sif2+  
1059 CCl2 dichloromethylene ccl2  
1060 CCl2- dichloromethylene anion ccl2-  
1061 CCl2+ dichloromethylene cation ccl2+  
1062 SiCl2 Dichlorosilylene sicl2  
1063 GeF2 Germanium difluoride gef2  
1064 GeCl2 Germanium dichloride gecl2  
1065 CBr2 dibromomethylene cbr2  
1066 FOO Dioxygen monofluoride radical foo  
1067 FOO+ Fluorine dioxide cation foo+  
1068 ClOO chloroperoxy radical cloo  
1069 ClOO+ chloroperoxy cation cloo+  
1070 OClO Chlorine dioxide oclo  
1071 OClO- Chlorine dioxide anion oclo-  
1072 OClO+ Chlorine dioxide cation oclo+  
1073 ClSO Sulfur chloride oxide clso  
1074 ClS2 Sulfur chloride cls2  
1075 BrOO Bromine dioxide broo  
1076 OBrO Bromine dioxide radical obro  
1077 NF2 Difluoroamino radical nf2  
1078 NF2+ Difluoroamino cation nf2+  
1079 PF2 Phosphorus difluoride pf2  
1080 PF2+ Phosphorus difluoride cation pf2+  
1081 FClO chlorosyl fluoride fclo  
1082 F2O Difluorine monoxide f2o  
1083 ClOF Chlorine hypofluorite clof  
1084 SF2 sulfur difluoride sf2  
1085 SF2- sulfur difluoride anion sf2-  
1086 SF2+ sulfur difluoride cation sf2+  
1087 Cl2O Dichlorine monoxide cl2o  
1088 SCl2 Sulfur dichloride scl2  
1089 SeF2 Selenium difluoride sef2  
1090 BrOCl Bromine hypochlorite brocl  
1091 SeCl2 Selenium Dichloride secl2  
1092 SBr2 Sulfur dibromide sbr2  
1093 SeBr2 Selenium dibromide sebr2  
1094 BrOBr Bromine oxide brobr  
1095 F3- trifluoride anion f3-  
1096 Cl3- trichloride anion cl3-  
1097 Br3- tribromide anion br3-  
1098 I3- triiodide i3-  
1099 SFCl Sulfur chloride fluoride sfcl  
1100 HCCF Fluoroacetylene hccf  
1101 HCCF+ fluoroacetylene cation hccf+  
1102 HCCCl Chloroacetylene hcccl  
1103 HCCBr bromoacetylene hccbr  
1104 HFCO formyl fluoride hfco  
1105 HFCO+ formyl fluoride cation hfco+  
1106 COHCl Formyl chloride cohcl  
1107 COHBr Formyl bromide cohbr  
1108 BHF2 Difluoroborane bhf2  
1109 BHCl2 Borane, dichloro- bhcl2  
1110 CHCl2 dichloromethyl radical chcl2  
1111 CHF2 difluoromethyl radical chf2  
1112 CHF2+ difluoromethyl cation chf2+  
1113 CHFCl Chlorofluoromethyl radical chfcl  
1114 CHFCl+ Chlorofluoromethyl cation chfcl+  
1115 CHCl2+ dichloromethyl cation chcl2+  
1116 CHBr2 dibromomethyl radical chbr2  
1117 HOClO Chlorous acid hoclo  
1118 NHF2 difluoramine nhf2  
1119 NHCl2 dichloroamine nhcl2  
1120 CH2F2 Methane, difluoro- ch2f2  
1121 CH2FCl fluorochloromethane ch2fcl  
1122 SiH2F2 difluorosilane sih2f2  
1123 CH2Cl2 Methylene chloride ch2cl2  
1124 CH2BrF Methane, bromofluoro- ch2fbr  
1125 CH2BrCl Methane, bromochloro- ch2clbr  
1126 CH2FI fluoroiodomethane ch2fi  
1127 CH2Br2 dibromomethane ch2br2  
1128 CH2ClI chloroiodomethane ch2cli  
1129 CH2BrI bromoiodomethane ch2bri  
1130 CH2I2 Diiodomethane ch2i2  
1131 SiH2Cl2 dichlorosilane sih2cl2  
1132 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1133 CH2CHF Ethene, fluoro- ch2chf  
1134 CH2CHF+ fluoroethene cation ch2chf+  
1135 C2H3Cl Ethene, chloro- ch2chcl  
1136 C2H3Br vinyl bromide c2h3br  
1137 C2H3I Vinyl iodide c2h3i  
1138 CH2FOH fluoromethanol ch2foh  
1139 CH3OCl methyl hypochlorite ch3ocl  
1140 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1141 CHClCH3 1-chloroethyl radical chclch3  
1142 C2H5F fluoroethane c2h5f  
1143 CH3CH2Cl Ethyl chloride c2h5cl  
1144 CH3SiFH2 fluoromethylsilane ch3sifh2  
1145 C2H5Br Ethyl bromide etbr  
1146 C2H5I Ethyl iodide c2h5i  
1147 KrF2 Krypton difluoride krf2  
1148 XeF2 Xenon difluoride xef2  
1149 B4H10 Tetraborane(10) b4h10  
1150 C4 Carbon tetramer c4  
1151 C4+ Carbon tetramer cation c4+  
1152 C4H2 Diacetylene c4h2  
1153 C4H2+ diacetlyene cation c4h2+  
1154 C2H3CCH 1-Buten-3-yne c2h3cch  
1155 C4H4 cyclobutadiene cbd  
1156 C4H4 Tetrahedrane c4h4  
1157 H2CCCCH2 Butatriene h2cccch2  
1158 C4H6 1-Methylcyclopropene c3100047  
1159 C4H6 Cyclobutene c822355  
1160 C4H6 Methylenecyclopropane c6142730  
1161 CH2CCHCH3 1,2-Butadiene butad12  
1162 CH2CHCHCH2 1,3-Butadiene c106990  
1163 CH3CCCH3 2-Butyne c503173  
1164 CHCCH2CH3 1-Butyne c107006  
1165 CH3CHCHCH2 methylallyl radical c4h7  
1166 C4H8 methylcyclopropane mcp  
1167 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1168 CH2CHCH2CH3 1-Butene bute1  
1169 CH3CHCHCH3 2-Butene, (E)- bute2e  
1170 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1171 B(CH3)3 trimethylborane bme3  
1172 Al(CH3)3 trimethyl aluminum tma  
1173 C(CH3)3 Tert-butyl radical tbutyl  
1174 CH2CH(CH3)2 Isobutyl radical isobutyl  
1175 CH3CHCH2CH3 2-Butyl radical butyl2  
1176 CH3CH(CH3)CH3 Isobutane isobutane  
1177 CH3CH2CH2CH3 Butane butane  
1178 SiH(CH3)3 trimethylsilane trimsi  
1179 Li3N trilithium nitride li3n  
1180 C2N2 Cyanogen c2n2  
1181 C2N2+ Cyanogen cation c2n2+  
1182 P4 Phosphorus tetramer p4  
1183 As4 Arsenic tetramer as4  
1184 HCCCN Cyanoacetylene hcccn  
1185 HCCCN+ Cyanoacetylene cation hcccn+  
1186 H2CNCN cyanamide, methylene ch2ncn  
1187 HNCCNH Ethenediimine hnccnh  
1188 C3H3N acrylonitrile ch2chcn  
1189 C3H3N+ acrylonitrile cation ch2chcn+  
1190 CH3N3 methyl azide ch3n3  
1191 NH2CCNH2 Diaminoacetylene daa  
1192 NH2CH2CN Aminoacetonitrile aan  
1193 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1194 C2H5CN ethyl cyanide c2h5cn  
1195 CH5N3 Guanidine guanidine  
1196 C4H6 Bicyclo[1.1.0]butane c157335  
1197 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1198 H2NCHCHNH2 diaminoethylene dae  
1199 CH6N3+ guanidinium ch6n3+  
1200 C3H7N Cyclopropylamine cpram  
1201 CH7N3 triaminomethane tam  
1202 C3H7N Azetidine azet  
1203 C4H8 cyclobutane cbutane  
1204 C2H8N2 Ethylenediamine ethdiam  
1205 CH3NHNHCH3 dimethyl hydrazine dmh  
1206 CH3CH(NH2)CH3 2-Propanamine pram2  
1207 N(CH3)3 Trimethylamine trimeam  
1208 NH2CH2CH2CH3 1-Propanamine pram1  
1209 P(CH3)3 trimethylphosphine tmp  
1210 N(SiH3)3 trisilylamine tsa  
1211 As(CH3)3 trimethyl arsine tmas  
1212 (CH3)3NH+ protonated trimethyl amine ptma  
1213 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1214 Li2O2 dilithium dioxide li2o2  
1215 Na2O2 disodium dioxide na2o2  
1216 K2O2 dipotassium dioxide k2o2  
1217 C3O Tricarbon monoxide c3o  
1218 B2O2 Diboron dioxide b2o2  
1219 ONNO NO dimer onno  
1220 S2N2 Disulfur dinitride s2n2  
1221 CO3 Carbon trioxide co3  
1222 CO3-- carbonate co3--  
1223 CS3-- Carbonotrithioate cs3--  
1224 NO3 Nitrogen trioxide no3  
1225 NO3- nitrate anion no3-  
1226 NO3+ nitrogen trioxide cation no3+  
1227 SO3 Sulfur trioxide so3  
1228 SO3- Sulfur trioxide anion so3-  
1229 SO3-- Sulfate dianion so3--  
1230 SO3+ Sulfur trioxide cation so3+  
1231 SeO3 selenium trioxide seo3  
1232 S4 Sulfur tetramer s4  
1233 TeO3 Tellurium trioxide teo3  
1234 HCO3- bicarbonate anion hco3-  
1235 HNO3 Nitric acid hno3  
1236 HSO3 Hydroxysulfonyl radical hso3  
1237 NH2NO2 nitramide nh2no2  
1238 C2H2CO cyclopropenone c2h2co  
1239 C3H2O Propadienal c3h2o  
1240 HCCCHO 2-propynal hcccho  
1241 C2H2O2 Ethanedial c2h2o2  
1242 C2H2O2+ Ethanedial cation c2h2o2+  
1243 H2CO3 Carbonic acid h2co3  
1244 H2CS3 thiocarbonic acid h2cs3  
1245 H2NO3+ Nitric Acid, Protonated h2no3+  
1246 H2SO3 Sulfurous acid h2so3  
1247 C2H3NO Nitrosoethylene c2h3no  
1248 CH3NCO methylisocyante ch3nco  
1249 HOCH2CN cyanomethanol hoch2cn  
1250 CH3COO- acetate anion ch3coo-  
1251 CH3NO2 Methane, nitro- ch3no2  
1252 CH3ONO Methyl nitrite ch3ono  
1253 NH2COOH Carbamic acid nh2cooh  
1254 H3BO3 Boric acid h3bo3  
1255 H3AlO3 Aluminum hydroxide h3alo3  
1256 H3CO3+ carbonic acid, protonated h3co3+  
1257 C3H4O 2-Propyn-1-ol c107197  
1258 C3H4O allenol c9000071  
1259 C3H4O Cyclopropanone cpone  
1260 C3H4O Methylketene c6004440  
1261 CH2CHCHO Acrolein c3h4o  
1262 NH2CONH2 Urea urea  
1263 NH2CONH2+ Urea cation urea+  
1264 NH2CSNH2 Thiourea thiourea  
1265 C2H4O2 1,3-dioxetane c2h4o2  
1266 CH3COOH Acetic acid ch3cooh  
1267 CH3OCHO methyl formate ch3ocho  
1268 CHOCH2OH hydroxy acetaldehyde haa  
1269 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1270 NH3COOH+ protonated Carbamic acid nh3cooh+  
1271 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1272 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1273 HCOOHH2O Formic acid water dimer hcoohh2o  
1274 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1275 CH3COCH2 Acetonyl radical ch3coch2  
1276 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1277 CH3C(OH)=NH Ethaninidic acid eia  
1278 CH3CHNOH Acetaldoxime acetaldoxime  
1279 CH3CONH2 Acetamide acetamide  
1280 HCONHCH3 N-methylformamide nmfa  
1281 CH3CSNH2 Ethanethioamide ch3csnh2  
1282 CH5N2O+ urea, N-protonated ch4n2o+  
1283 H2NCOHNH2+ urea, protonated ureah+  
1284 C2H5OO ethylperoxy radical c2h5oo  
1285 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1286 C3H5OH Cyclopropanol cproh  
1287 C3H6O 2-Propen-1-ol c107186  
1288 C3H6O Acetone enol enol  
1289 C3H6O Oxetane oxetane  
1290 C3H6O Propylene oxide prox  
1291 CH3CH2CHO Propanal propanal  
1292 CH3COCH3 Acetone acetone  
1293 CH3COCH3- acetone anion ch3coch3-  
1294 C3H6S Thietane thietane  
1295 C3H6S Thiirane, methyl- methiirane  
1296 CH3CSCH3 Thioacetone ch3csch3  
1297 C2H6O2 1,2-Ethanediol ethdiol  
1298 CH3OOCH3 dimethylperoxide dmp  
1299 CH3SOCH3 Dimethyl sulfoxide dmso  
1300 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1301 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1302 CH3COHCH3+ acetone, protonated acetoneh+  
1303 HOCH2CH2NH2 monoethanolamine mea  
1304 C3H7OH 1-Propanol proh  
1305 CH3CHOHCH3 Isopropyl alcohol isoproh  
1306 CH3OC2H5 Ethane, methoxy- etome  
1307 C3H7SH 1-Propanethiol prsh  
1308 CH3CHSHCH3 2-Propanethiol isoprsh  
1309 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1310 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1311 Li2F2 Lithium fluoride dimer li2f2  
1312 Na2F2 Sodium Fluoride Dimer na2f2  
1313 Na2Cl2 Disodium dichloride na2cl2  
1314 C2F2 difluoroacetylene c2f2  
1315 C2Cl2 dichloroacetylene c2cl2  
1316 C2Cl2+ dichloroacetylene cation c2cl2+  
1317 FNO2 Nitryl fluoride fno2  
1318 FONO Nitrosyl hypofluorite fono  
1319 ClNO2 Nitryl chloride clno2  
1320 ClONO chlorine nitrite clono  
1321 BrONO Bromine nitrite brono  
1322 N2F2 (Z)-Difluorodiazene n2f2_z  
1323 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1324 CF2O Carbonic difluoride f2co  
1325 CF2O+ Carbonic difluoride cation f2co+  
1326 COFCl Carbonic chloride fluoride cofcl  
1327 CCl2O Phosgene cl2co  
1328 Cl2CS Thiophosgene cl2cs  
1329 COBr2 Carbonic dibromide cobr2  
1330 BF3- Borane, trifluoro- anion bf3-  
1331 BF3+ boron trifluoride cation bf3+  
1332 BClF2 Chlorodifluoroborane bclf2  
1333 AlF2Cl Aluminum chloride difluoride alclf2  
1334 ScF3 Scandium trifluoride ScF3  
1335 AlFCl2 Aluminum dichloride fluoride alcl2f  
1336 BCl3 Borane, trichloro- bcl3  
1337 BCl3+ Boron Trichloride cation bcl3+  
1338 GaF3 Gallium trifluoride gaf3  
1339 AlCl3 Aluminum trichloride alcl3  
1340 GaCl3 Gallium trichloride gacl3  
1341 BBr3 Boron tribromide bbr3  
1342 AlBr3 Aluminum Bromide albr3  
1343 ClO3 Chlorine trioxide clo3  
1344 ClO3- chlorate anion clo3-  
1345 BrO3- Bromate anion bro3-  
1346 CF3 Trifluoromethyl radical cf3  
1347 CF3- Trifluoromethyl anion cf3-  
1348 CF3+ Trifluoromethyl cation cf3+  
1349 CF2Cl difluorochloromethyl radical cf2cl  
1350 SiF3 Silicon trifluoride radical sif3  
1351 SiF3+ Silicon trifluoride cation sif3+  
1352 CFCl2 dichlorofluoromethyl radical cfcl2  
1353 CCl3 Trichloromethyl radical ccl3  
1354 CCl3- Trichloromethyl anion ccl3-  
1355 CCl3+ Trichloromethyl cation ccl3+  
1356 SiCl3 trichlorosilyl radical sicl3  
1357 SiCl3+ trichlorosilyl cation sicl3+  
1358 CBr3 tribromomethyl radical cbr3  
1359 FOOF Perfluoroperoxide foof  
1360 ClO2F Chloryl fluoride clo2f  
1361 F2SO Thionyl Fluoride f2so  
1362 ClOOCl Dichlorine dioxide cloocl  
1363 FSSF Difluorodisulfane fssf  
1364 S2F2 Thio-thionyl fluoride s2f2  
1365 SOCl2 thionyl chloride socl2  
1366 SSCl2 Thiothionyl chloride sscl2  
1367 SeOCl2 selenium oxychloride seocl2  
1368 NF3 Nitrogen trifluoride nf3  
1369 NF3- Nitrogen trifluoride anion nf3-  
1370 NF3+ Nitrogen trifluoride cation nf3+  
1371 PF3 Phosphorus trifluoride pf3  
1372 NCl3 nitrogen trichloride ncl3  
1373 AsF3 Arsenic trifluoride asf3  
1374 PCl3 Phosphorus trichloride pcl3  
1375 SbF3 Antimony Trifluoride sbf3  
1376 AsCl3 Arsenous trichloride ascl3  
1377 SbCl3 Antimony Trichloride sbcl3  
1378 NBr3 Nitrogen Tribromide nbr3  
1379 PBr3 Phosphorus tribromide pbr3  
1380 AsBr3 Arsenic tribromide asbr3  
1381 NI3 Nitrogen triiodide ni3  
1382 PI3 Phosphorus triiodide pi3  
1383 ClSSCl Disulfur dichloride s2cl2  
1384 SF3 Sulfur trifluoride sf3  
1385 ClF3 Chlorine trifluoride clf3  
1386 BrF3 Bromine trifluoride brf3  
1387 IF3 iodone trifluoride if3  
1388 HClO3 Chloric Acid hclo3  
1389 CHF3 Methane, trifluoro- chf3  
1390 CHF2Cl difluorochloromethane chf2cl  
1391 SiHF3 trifluorosilane sihf3  
1392 CHFCl2 fluorodichloromethane chfcl2  
1393 CDCl3 trichloromethane-d cdcl3  
1394 CHCl3 Chloroform chcl3  
1395 CHBrF2 Methane, bromodifluoro- chbrf2  
1396 SiHCl3 Trichlorosilane sihcl3  
1397 CHFClBr fluorochlorobromomethane chfclbr  
1398 CHBrCl2 Methane, bromodichloro- chbrcl2  
1399 CHF2I difluoroiodomethane chf2i  
1400 CHBr2F dibromofluoromethane chbr2f  
1401 CHFClI fluorochloroiodomethane chfcli  
1402 CHCl2I dichloroiodomethane chcl2i  
1403 CHClBr2 Methane, dibromochloro- chclbr2  
1404 CHBr3 bromoform chbr3  
1405 CHI3 Iodoform chi3  
1406 NF3H+ protonated nitrogen trifluoride nf3h+  
1407 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1408 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1409 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1410 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1411 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1412 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1413 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1414 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1415 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1416 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1417 C2H2Br2 1,1-dibromoethene c2h2br2  
1418 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1419 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1420 CH2FCHO Fluoroacetaldehyde ch2fcho  
1421 CH3COF Acetyl fluoride ch3cof  
1422 CH2ClCHO chloroacetaldehyde ch2clcho  
1423 CH3COCl Acetyl Chloride ch3cocl  
1424 C2H4F2 1,2-difluoroethane c2h4f2  
1425 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1426 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1427 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1428 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1429 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1430 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1431 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1432 CH2CFCH3 2-fluoropropene 2fpro  
1433 CH2CHCH2F Allyl Fluoride allylf  
1434 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1435 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1436 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1437 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1438 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1439 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1440 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1441 CH2FCH2CH3 1-Fluoropropane prf1  
1442 CH3CHFCH3 2-Fluoropropane prf2  
1443 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1444 CH3CHClCH3 Propane, 2-chloro- prcl2  
1445 CH3CH2CH2Br n-propyl bromide prbr  
1446 CH3CHBrCH3 i-propyl bromide iprbr  
1447 C3H9O+ trimethyl oxonium cation c3h9o+  
1448 B5H9 pentaborane9 b5h9  
1449 C5H4 pentatetraene ptrene  
1450 C5H5 cyclopentadienyl radical c5h5  
1451 C5H5- cylopentadienyl anion c5h5-  
1452 C5H6 1,3-Cyclopentadiene c542927  
1453 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1454 C5H6 3-Penten-1-yne, (E)- c2004695  
1455 C5H6 3-Penten-1-yne, (Z)- c1574409  
1456 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1457 C5H6 Cyclopropylacetylene c6746947  
1458 C5H6 Propellane propellane  
1459 C5H7 1,3-pentadienyl radical pdyl  
1460 C5H7 cyclopentenyl radical cpyl  
1461 C5H8 1,2-Butadiene, 3-methyl- c598254  
1462 C5H8 1,2-Pentadiene c591957  
1463 C5H8 1,3-Butadiene, 2-methyl- c78795  
1464 C5H8 1,3-Pentadiene, (E)- c2004708  
1465 C5H8 1,3-Pentadiene, (Z)- c1574410  
1466 C5H8 1,4-Pentadiene c591935  
1467 C5H8 1-pentyne a1pentyne  
1468 C5H8 2,3-Pentadiene c591968  
1469 C5H8 Bicyclo[1.1.1]pentane bcp  
1470 C5H8 Cyclobutane, methylene- c1120565  
1471 C5H8 Cyclopentene c142290  
1472 C5H8 Ethenylcyclopropane c693867  
1473 CH3CCCH2CH3 2-Pentyne 2pentyne  
1474 C5H10 1-Butene, 2-methyl- c563462  
1475 C5H10 2-Butene, 2-methyl- c513359  
1476 C5H10 2-Pentene, (E)- c646048  
1477 C5H10 2-Pentene, (Z)- c627203  
1478 C5H10 Cyclopentane c287923  
1479 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1480 CH2CHCH2CH2CH3 1-pentene pentene  
1481 C5H11 2-Methylbut-2-yl radical c4348350  
1482 C5H12 Butane, 2-methyl- buta2  
1483 C5H12 Pentane pentane  
1484 C5H12 Propane, 2,2-dimethyl- neopentane  
1485 Si(CH3)4 tetramethylsilane tms  
1486 N2O3 Dinitrogen trioxide n2o3  
1487 C3H2N2 Malononitrile c3h2n2  
1488 CH2N4 1H-Tetrazole 1htz  
1489 C3H3N2 imidazolyl radical im  
1490 C3H3N2- imidizolyl anion im-  
1491 C2H3N3 1H-1,2,4-Triazole c288880  
1492 C4H4N pyrrolide radical c4h4n  
1493 C4H4N- pyrrolide anion c4h4n-  
1494 C3H4N2 1H-Imidazole 1himidaz  
1495 C3H4N2 1H-Pyrazole 1hpyraz  
1496 C3H4N2 2H-Imidazole imid2h  
1497 C3H4N2 4H-Imidazole imid4h  
1498 C4H5N (E)-2-Butenenitrile c627269  
1499 C4H5N (Z)-2-Butenenitrile c1190767  
1500 C4H5N 2H-pyrrole pyrrole2  
1501 C4H5N 3H-pyrrole pyrrole3  
1502 C4H5N Cyclopropanecarbonitrile c5500210  
1503 C4H5N Pyrrole pyrrole  
1504 CH2CHCH2CN Allylcyanide ch2chch2cn  
1505 C4H6N+ pyrrole, alpha-protonated appyr  
1506 C4H6N+ pyrrole, beta-protonated bppyr  
1507 C4H6N+ pyrrole, protonated ppyr  
1508 C3H6N2 3-Aminopropionitrile c151188  
1509 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1510 CH3CH2CH2CN Butanenitrile c109740  
1511 C5H8 Bicyclo[2.1.0]pentane c185944  
1512 C5H8 Spiropentane c157404  
1513 C4H9N Cyclobutylamine cbam  
1514 C4H9N Pyrrolidine pyrrolidine  
1515 C3H10N2 1,2-Diaminopropane diampr12  
1516 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1517 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1518 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1519 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1520 NH(C2H5)2 diethylamine dea  
1521 NC4H12+ tetramethyl ammonium cation nc4h12+  
1522 C3O2 Carbon suboxide c3o2  
1523 C3O2+ Carbon suboxide cation c3o2+  
1524 B2O3 diboron trioxide b2o3  
1525 MgCO3 Magnesium Carbonate mgco3  
1526 BeCO3 Beryllium Carbonate beco3  
1527 CaCO3 Calcium Carbonate caco3  
1528 ONONO Nitrosyl nitrite onono  
1529 PO4--- phosphate po4---  
1530 SO4-- sulfate so4--  
1531 HOONO2 peroxy nitric acid hoono2  
1532 HSO4- bisulfate anion hso4-  
1533 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1534 C3H2O2 Propiolic acid c3h2o2  
1535 CHOCOOH oxo acetic acid oaa  
1536 CHOOCHO diformyl ether choocho  
1537 H2SO4 Sulfuric acid h2so4  
1538 H2SeO4 Selenic acid h2seo4  
1539 C3H3NO Isoxazole isox  
1540 C3H3NO Oxazole oxazole  
1541 C3H3NS Thiazole thiazole  
1542 CH3C(O)OO acetyl peroxy radical ch3coo2  
1543 CH3NO3 Methyl nitrate ch3no3  
1544 H3PO4 Phosphoric Acid h3po4  
1545 C4H4O Furan furan  
1546 C4H4O+ Furan cation furan+  
1547 CH3COCCH 3-butyn-2-one c1423605  
1548 C4H4S Thiophene furans  
1549 C4H4Se selenophene c4h4se  
1550 C3H4O2 β–Propiolactone beta  
1551 C3H4O2 2-Propenoic acid propenoic2  
1552 C3H4O2 Methyl glyoxal megly  
1553 C3H4O2 propanedial propanedial  
1554 C3H4O2 propenalol propenalol  
1555 HOCHCCHOH allenediol aldiol  
1556 C2H4O3 1,2,3-trioxolane c2h4o3  
1557 C2H4O3 trioxolane124 triox  
1558 HOCH2COOH Hydroxyacetic acid hac  
1559 CH2CHCONH2 Acrylamide c79061  
1560 CH3OCH2CN Methoxyacetonitrile c1738369  
1561 CH5N3S Hydrazinecarbothioamide c79196  
1562 H2NCH2COOH Glycine glycine  
1563 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1564 C4H6O cis-2-butenal butenal2c  
1565 C4H6O Cyclobutanone cbutone  
1566 C4H6O Furan, 2,3-dihydro- furan23h  
1567 C4H6O Furan, 2,5-dihydro- furan25h  
1568 CH2CHOCHCH2 Vinyl ether vinylether  
1569 CHOCHCHCH3 2-Butenal butenal2  
1570 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1571 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1572 CH2CHSCHCH2 Divinyl sulfide divis  
1573 C2H6N2O Urea, methyl- c598505  
1574 C3H6O2 1,3-Dioxolane dioxolane  
1575 CH3CH2COOH Propanoic Acid propanoic  
1576 CH3COOCH3 methyl acetate aame  
1577 HCOOC2H5 Ethyl formate faee  
1578 C2H6O2S Dimethyl sulfone c67710  
1579 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1580 C3H7NO dimethylformamide dmf  
1581 C3H7NO Propanamide propanam  
1582 C2H3OC2H5 Ethene, ethoxy- c109922  
1583 C4H8O Cyclobutanol c2919235  
1584 C4H8O Furan, tetrahydro- thf  
1585 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1586 CH3COCH2CH3 2-Butanone buta2one  
1587 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1588 CHOCH2CH2CH3 Butanal butanal  
1589 C4H8S Thiophene, tetrahydro- tht  
1590 C3H8O2 1,3-Propanediol c504632  
1591 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1592 C3H8O2 Methane, dimethoxy- c109875  
1593 C3H8O2 Propylene glycol c57556  
1594 C3H8S2 1,3-Propanedithiol c109808  
1595 C4H10O 1-Butanol butanol1  
1596 C4H10O 1-Propanol, 2-methyl- c78831  
1597 C4H10O 2-Butanol, (.+/-.)- butanol2  
1598 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1599 C4H10O Ethoxy ethane etoet  
1600 C4H10O Methyl propyl ether meopr  
1601 C4H10O Propane, 2-methoxy- c598538  
1602 C4H10O+ 1-Butanol cation butanol1+  
1603 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1604 C2H5SC2H5 Diethyl sulfide etset  
1605 C4H9SH 1-Butanethiol bush  
1606 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1607 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1608 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1609 FNO3 Fluorine nitrate fno3  
1610 ClONO2 Chlorine nitrate clono2  
1611 BrONO2 Bromine nitrate brono2  
1612 TiCl4 Titanium tetrachloride ticl4  
1613 ClO4- perchlorate anion clo4-  
1614 BF4- tetrafluoroboron anion bf4-  
1615 ClFO3 Perchloryl fluoride clfo3  
1616 SO2F2 Sulfuryl fluoride so2f2  
1617 SO2Cl2 Sulfuryl chloride so2cl2  
1618 F3NO Nitrogen trifluoride oxide f3no  
1619 F3PO Phosphoryl fluoride pf3o  
1620 Cl3PO Phosphoryl chloride pcl3o  
1621 CF4 Carbon tetrafluoride cf4  
1622 CF3Cl Methane, chlorotrifluoro- cf3cl  
1623 SiF4 Silicon tetrafluoride sif4  
1624 CF2Cl2 difluorodichloromethane cf2cl2  
1625 TiF4 Titanium tetrafluoride tif4  
1626 CFCl3 Trichloromonofluoromethane cfcl3  
1627 CF3Br Bromotrifluoromethane cf3br  
1628 GeF4 Germanium tetrafluoride gef4  
1629 CCl4 Carbon tetrachloride ccl4  
1630 CCl4+ Carbon tetrachloride cation ccl4+  
1631 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1632 SiCl4 Silane, tetrachloro- sicl4  
1633 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1634 CF3I trifluoroiodomethane cf3i  
1635 CBrCl3 Methane, bromotrichloro- cbrcl3  
1636 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1637 GeCl4 Germanium Tetrachloride gecl4  
1638 CBr2ClF dibromochlorofluoromethane cbr2clf  
1639 CBr2Cl2 dibromodichloromethane cbr2cl2  
1640 CCl3I trichloroiodomethane ccl3i  
1641 CFBr3 fluorotribromomethane cfbr3  
1642 CFClBrI fluorochlorobromoiodomethane cfclbri  
1643 CBr3Cl tribromochloromethane cbr3cl  
1644 CF2I2 difluorodiiodomethane cf2i2  
1645 CBr4 Carbon tetrabromide cbr4  
1646 CCl2I2 dichlorodiiodomethane ccl2i2  
1647 SiBr4 Silicon tetrabromide sibr4  
1648 CBr3I tribromoiododmethane cbr3i  
1649 GeBr4 Germanium tetrabromide gebr4  
1650 CI4 tetraiodomethane ci4  
1651 SiI4 silicon tetraiodide sii4  
1652 ClOF3 Chlorine trifluoride oxide clof3  
1653 SF4 Sulfur tetrafluoride sf4  
1654 SeF4 Selenium tetrafluoride sef4  
1655 SCl4 Sulfur tetrachloride scl4  
1656 C2HF3 Trifluoroethylene c2hf3  
1657 C2HF3+ Trifluoroethylene cation c2hf3+  
1658 CHClCCl2 Trichloroethylene chclccl2  
1659 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1660 HClO4 perchloric acid hclo4  
1661 HSO3F Fluorosulfonic acid hso3f  
1662 CF3OH trifluoromethanol cf3oh  
1663 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1664 CHClCCHCl 1,3-dichloroallene chclcchcl  
1665 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1666 CHCl2CHO dichloroacetaldehyde chcl2cho  
1667 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1668 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1669 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1670 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1671 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1672 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1673 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1674 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1675 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1676 NH3BCl3 Amminetrichloroboron nh3bcl3  
1677 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1678 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1679 C3H5ClO Oxirane, (chloromethyl)- c106898  
1680 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1681 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1682 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1683 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1684 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1685 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1686 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1687 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1688 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1689 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1690 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1691 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1692 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1693 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1694 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1695 C4H9F 1-fluorobutane butaf1  
1696 CH3CHFCH2CH3 2-fluorobutane butaf2  
1697 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1698 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1699 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1700 XeF4 Xenon tetrafluoride xef4  
1701 C2H2N2O Furazan furazan  
1702 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1703 NH3BF3 Amminetrifluoroboron nh3bf3  
1704 C6H2 hexatriyne c6h2  
1705 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1706 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1707 C6H4 Benzyne benzyne  
1708 C6H5 phenyl phenyl  
1709 C6H5- phenyl anion phenyl-  
1710 C6H6 Prismane prismane  
1711 C6H6 1,2,4,5-Hexatetraene ht1245  
1712 C6H6 2,4-Hexadiyne hexadiyne  
1713 C6H6 3,4-Dimethylenecyclobutene cb34m  
1714 C6H6 Benzene benzene  
1715 C6H6 Benzvalene bv  
1716 C6H6 Dewar Benzene dewar  
1717 C6H6 Hexa-1,5-diene-3-yne hdy153  
1718 C6H6 Trimethylenecycopropane tmcp  
1719 C6H6+ Benzene cation c6h6+  
1720 C6H7+ benzene, protonated c6h7+  
1721 C6H8 (E)-hexa-1,3,5-triene c821078  
1722 C6H8 (E)-hexa-2,3,4-triene c59660650  
1723 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1724 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1725 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1726 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1727 C6H8 3-Methylenecyclopentene c930267  
1728 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1729 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1730 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1731 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1732 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1733 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1734 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1735 C6H10 1,5-Hexadiene c592427  
1736 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1737 C6H10 1-Hexyne hexyne1  
1738 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1739 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1740 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1741 C6H10 2-Hexyne c764352  
1742 C6H10 3-Hexyne hexyne3  
1743 C6H10 cyclohexene cyclohexene  
1744 C6H10 Cyclopentene, 1-methyl- c693890  
1745 C6H10 Cyclopentene, 3-methyl- c1120623  
1746 C6H10 Cyclopentene, 4-methyl- c1759815  
1747 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1748 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1749 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1750 C6H12 (E)-2-Hexene e2hexene  
1751 C6H12 (E)-3-methylpent-2-ene c616126  
1752 C6H12 (E)-hex-3-ene e3hexene  
1753 C6H12 (Z)-3-methylpent-2-ene c922623  
1754 C6H12 (Z)-hex-2-ene z2hexene  
1755 C6H12 (Z)-hex-3-ene z3hexene  
1756 C6H12 2,3-dimethylbut-1-ene c563780  
1757 C6H12 2,3-dimethyl-but-2-ene tmeet  
1758 C6H12 3-methylenepentane c760214  
1759 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1760 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1761 C6H12 Cyclohexane cyclohexane  
1762 C6H12 Cyclopentane, methyl- c96377  
1763 C6H12 Ethylcyclobutane c4806615  
1764 C6H12 hex-1-ene hexene1  
1765 C6H14 Butane, 2,2-dimethyl- buta22  
1766 C6H14 Butane, 2,3-dimethyl- buta23  
1767 C6H14 Hexane hexane  
1768 C6H14 Pentane, 2-methyl- penta2  
1769 C6H14 Pentane, 3-methyl- penta3  
1770 C4N2 2-Butynedinitrile c4n2  
1771 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1772 C4H2N2 Fumaronitrile c4h2n2  
1773 C2H2N4 sym-tetrazine ttz  
1774 C3H3N3 1,3,5-Triazine triazine135  
1775 CH3N5 5-Aminotetrazole c4418615  
1776 C4H4N2 1,3-Diazine diazine13  
1777 C4H4N2 Pyrazine pyrazine  
1778 C4H4N2 Pyridazine pyridazine  
1779 C4H4N2 Succinonitrile c110612  
1780 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1781 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1782 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1783 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1784 C5H5N E-2,4-pentadienenitrile bdcn  
1785 C5H5N Pyridine pyridine  
1786 B3N3H6 borazine borazine  
1787 C6H6 Fulvene fulvene  
1788 C5H6N+ Pyridinium c5h6n  
1789 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1790 C5H7N (E)-2-Pentenenitrile c26294984  
1791 C5H7N (E)-3-Pentenenitrile c16529661  
1792 C5H7N (Z)-2-Pentenenitrile c25899507  
1793 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1794 C5H7N Cyclobutanecarbonitrile c4426113  
1795 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1796 C5H9N Butanenitrile, 2-methyl- c18936179  
1797 C5H9N Pentanenitrile c110598  
1798 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1799 C6H10 Bicyclo[3.1.0]hexane c285585  
1800 C5H11N Cyclopentanamine cypentam  
1801 C5H11N Piperidine piper  
1802 C4H12N2 1,2-Butanediamine c4426486  
1803 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1804 Li2CO3 Lithium Carbonate li2co3  
1805 Na2CO3 Sodium Carbonate na2co3  
1806 C2O4-- oxalate anion c2o4  
1807 MgSO4 Magnesium Sulfate mgso4  
1808 N2O4 Dinitrogen tetroxide n2o4  
1809 C3H2O3 vinylene carbonate vica  
1810 C2H2O4 Oxalic Acid oxalic  
1811 C2H3NO3 Oxamic acid oxamic  
1812 C4H4O2 2(5H)-Furanone furanone  
1813 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1814 C2H4N2O2 Oxalamide oxalamide  
1815 C2H4N2S2 Ethanedithioamide c79403  
1816 C2H4CO3 Ethylene carbonate etco3  
1817 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1818 C3H4S3 1,3-Dithiolane-2-thione c822388  
1819 C2H4O4 Formic acid dimer fadimer  
1820 C4H5NO 3-Methylisoxazole isox3m  
1821 C4H5NO Isoxazole, 5-methyl- c5765446  
1822 C4H5NS 4-Methylthiazole c693958  
1823 C2H5NO3 Nitric acid, ethyl ester c625581  
1824 C5H6O 2H-Pyran pyran2  
1825 C5H6O 2-methylfuran furan2m  
1826 C5H6O 3-Methylfuran furan3m  
1827 C5H6O Pentadienal pdal  
1828 C5H6S Thiophene, 2-methyl- c554143  
1829 C5H6S Thiophene, 3-methyl- c616444  
1830 C4H6O2 γ–Butyrolactone c96480  
1831 C4H6O2 2,3-Butanedione c431038  
1832 C4H6O2 2-Propenoic acid, methyl ester c96333  
1833 C4H6O2 Crotonic Acid crot  
1834 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1835 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1836 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1837 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1838 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1839 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1840 C4H6OS Vinyl sulfoxide c1115157  
1841 CH6N4S Carbonothioic dihydrazide thiacarb  
1842 C2H6N2O2 (E)-Azodioxymethane c37765154  
1843 C2H6N2O2 Dimethylnitroamine c4164287  
1844 C3H6O3 1,3,5-Trioxane trioxane  
1845 C3H6S3 1,3,5-Trithiane c3h6s3  
1846 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1847 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1848 C4H7NO 2-Pyrrolidinone c616455  
1849 C4H7NO Ethoxyacetonitrile etoaccn  
1850 C4H7NO Methacrylamide c79390  
1851 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1852 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1853 C3H7ONO Propyl nitrite prono  
1854 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1855 CH3CH(NH2)COOH Alanine alanine  
1856 CH3NHCH2COOH Sarcosine sarcosine  
1857 NH2CH2CH2COOH β–alanine betaalanine  
1858 NH2COOC2H5 Urethane urethane  
1859 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1860 C5H8O Cyclopentanone c120923  
1861 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1862 C5H8O Methyl cyclopropyl ketone c765435  
1863 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1864 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1865 NH2CONHC2H5 Urea, ethyl- c625525  
1866 C4H8O2 1,3-Dioxane dioxan13  
1867 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1868 C4H8O2 1,4-Dioxane dioxan14  
1869 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1870 C4H8O2 Ethyl acetate c141786  
1871 C4H8OS s-Ethyl thioacetate c625605  
1872 C3H8O3 1,2,3-Propanetriol glycerin  
1873 C3H8O2S (Methylsulfonyl)ethane c594434  
1874 C4H9NO Butanamide c541355  
1875 C4H9NO Propanamide, 2-methyl- c563837  
1876 C5H10O 2-Butanone, 3-methyl- c563804  
1877 C5H10O 2H-Pyran, tetrahydro- c142687  
1878 C5H10O 2-methylbutyraldehyde 2meba  
1879 C5H10O 2-Pentanone mpk  
1880 C5H10O 3-Pentanone dek  
1881 C5H10O Cyclopentanol c96413  
1882 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1883 C5H10O Pentanal pal  
1884 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1885 C5H10S 3-Ethylthio-1-propene c5296628  
1886 C5H10S Cyclopentanethiol c1679078  
1887 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1888 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1889 C4H10O2 1,1-Dimethoxyethane c534156  
1890 C4H10O2 1,3-Butanediol budiol13  
1891 C4H10O2 1,4-Butanediol budiol14  
1892 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1893 C4H10OS Diethyl sulfoxide c70291  
1894 C4H10S2 1,4-Butanedithiol budisl14  
1895 C4H11NO Diethylhydroxylamine c3710847  
1896 C5H12O 1-Butanol, 2-methyl- c137326  
1897 C5H12O 1-Butanol, 3-methyl- c123513  
1898 C5H12O 1-Pentanol pentanol1  
1899 C5H12O 2-Butanol, 3-methyl- c598754  
1900 C5H12O 2-Pentanol peol2  
1901 C5H12O 3-Pentanol pentan3ol  
1902 C5H12O Butane, 1-methoxy- meobu  
1903 C5H12O Propane, 1-ethoxy- proet  
1904 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1905 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1906 C5H12S 1-Butanethiol, 3-methyl- c541311  
1907 C5H12S 1-Pentanethiol c110667  
1908 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1909 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1910 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1911 C5H12S Butane, 1-(methylthio)- c628295  
1912 C5H12S Ethyl propyl sulfide c4110503  
1913 C5H12S Propane, 2-(ethylthio)- c5145993  
1914 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1915 C4F2 difluorobutadiyne c4f2  
1916 ClCOClCO Oxalyl chloride oxcl  
1917 CF3CN Acetonitrile, trifluoro- cf3cn  
1918 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1919 B2F4 Diboron tetrafluoride b2f4  
1920 B2Cl4 Diboron tetrachloride b2cl4  
1921 C2F4 Tetrafluoroethylene c2f4  
1922 C2F4+ Tetrafluoroethylene cation c2f4+  
1923 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1924 CF2CCl2 difluorodichloroethylene cf2ccl2  
1925 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1926 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1927 C2FCl3 fluorotrichloroethene c2fcl3  
1928 C2Cl4 Tetrachloroethylene c2cl4  
1929 C2Br4 tetrabromoethene c2br4  
1930 CF3OF Trifluoromethylhypofluorite cf3of  
1931 SiF5- silicon pentafluoride anion sif5-  
1932 SOF4 Sulfur tetrafluoride oxide sof4  
1933 PF5 Phosphorus pentafluoride pf5  
1934 AsF5 Arsenic pentafluoride asf5  
1935 PCl5 Phosphorus pentachloride pcl5  
1936 SF5 Sulfur pentafluoride sf5  
1937 SF5+ pentafluoro sulfur cation sf5+  
1938 SbCl5 Antimony pentachloride sbcl5  
1939 BrF5 bromine pentafluoride brf5  
1940 ClF5 chlorinepentafluoride clf5  
1941 IF5 pentafluoroiodine if5  
1942 CF3CHO trifluoroacetaldehyde cf3cho  
1943 CCl3CHO trichloroacetaldehyde ccl3cho  
1944 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1945 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1946 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1947 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1948 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1949 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1950 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1951 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1952 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1953 CF3COOH trifluoroacetic acid cf3cooh  
1954 C4H3ClO Furan, 2-chloro fur2cl  
1955 C4H3ClO Furan,3-chloro fur3cl  
1956 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1957 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1958 C4H8Cl2 1,4-Dichlorobutane c110565  
1959 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1960 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1961 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1962 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1963 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1964 C5H11Cl Pentane, 1-chloro- pencl1  
1965 C4H8O2 Butanoic acid bua  
1966 C6H5CH2 benzyl radical benzyl  
1967 C7H7 cycloheptatrienyl radical c7h7  
1968 C7H7+ cycloheptatrienyl cation c7h7+  
1969 C6H5CH3 toluene toluene  
1970 C7H8 cycloheptatriene cht  
1971 C7H8 Norbornadiene norbor  
1972 C7H8 Quadricyclane qucy  
1973 C7H12 Norbornane nor  
1974 C7H14 cycloheptane c7h14  
1975 C7H16 2-methylhexane 2mhex  
1976 C7H16 3-methylhexane hex3m  
1977 C7H16 heptane heptane  
1978 CH(CN)3 tricyanomethane mecn3  
1979 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1980 C6H7N 2-Methylpyridine mp  
1981 C6H5NH2 aniline aniline  
1982 C6H13N 2-Methylpiperidine pip2m  
1983 C6H13N cyclohexanamine cham  
1984 C6H15N triethylamine tea  
1985 N2O5 Dinitrogen pentoxide n2o5  
1986 C4H2O3 Maleic Anhydride malan  
1987 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1988 C5H4O2 furfural furfural  
1989 C6H5O phenoxy radical phenoxy  
1990 C5H5NO 2(1H)-Pyridinone c72762006  
1991 C5H5NO 2(3H)-Pyridinone c9000048  
1992 C5H5NO 2(5H)-Pyridinone c9000037  
1993 C5H5NO 2-Pyridinol c109104  
1994 C5H5NO 3(2H)-Pyridinone c9000004  
1995 C5H5NO 3(4H)-Pyridinone c9000026  
1996 C5H5NO 3(6H)-Pyridinone c9000015  
1997 C5H5NO 3-Pyridinol c109002  
1998 C5H5NO 4(1H)-Pryidinone c9000060  
1999 C5H5NO 4(3H)-Pryidinone c9000059  
2000 C5H5NO 4-Pyridinol c626642  
2001 C6H5OH phenol phenol  
2002 C6H6O 2,4-Cyclohexadienone c24599573  
2003 C6H6O 2,5-Cyclohexadienone c5664335  
2004 C6H5SH Benzenethiol phsh  
2005 HO2CCHNH2CH2OH Serine serine  
2006 C5H8O2 Acetylacetone acac  
2007 C4H8O2S Sulfolane sulfolane  
2008 C7H10 Norbornene norbornene  
2009 CH(C2H3)3 trivinyl methane tvm  
2010 C6H10O cyclohexanone chexo  
2011 C6H12O hexanal c6h12o  
2012 C6H12O Oxepane oxepane  
2013 C3H7OC3H7 di-n-propyl ether propr  
2014 F2CCCF2 tetrafluoroallene pfa  
2015 CF3COO- trifluoro acetate anion cf3coo-  
2016 CF3COF trifluoroacetyl fluoride cf3cof  
2017 CF3COCl trifluoroacetyl chloride cf3cocl  
2018 PF6 Hexafluorophosphate neutral pf6  
2019 PF6- Hexafluorophosphate ion pf6-  
2020 SF6 Sulfur Hexafluoride sf6  
2021 SeF6 Selenium hexafluoride sef6  
2022 SF5Cl sulfur chloropentafluoride sf5cl  
2023 CF3CHF2 pentafluoroethane cf3chf2  
2024 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2025 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2026 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2027 CCl3CHCl2 pentachloroethane ccl3chcl2  
2028 C6H5F Fluorobenzene bzf  
2029 C6H5Cl chlorobenzene bzcl  
2030 C6H5Br bromobenzene bzbr  
2031 C8H6 Calicene calicene  
2032 C6H5CCH phenylacetylene phac  
2033 C8H6 benzocyclobutadiene bcbd  
2034 C8H6 Pentalene pentalene  
2035 C6H5CHCH2 Styrene styrene  
2036 C8H8 cubane cubane  
2037 C8H8 cyclooctatetraene cot  
2038 C6H5CH2CH3 Ethylbenzene etbz  
2039 CH3C6H4CH3 meta-xylene mxylene  
2040 CH3C6H4CH3 paraxylene pxylene  
2041 C8H14 Bicyclo[2.2.2]octane bico222  
2042 C8H16 cyclooctane cyclooct  
2043 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2044 C8H18 Octane c8h18  
2045 C6H5CN phenyl cyanide phcn  
2046 C6H12N2 Triethylenediamine ted  
2047 C4O4-- squarate dianion c4o4--  
2048 S4N4 Tetrasulfur tetranitride s4n4  
2049 S8 Octasulfur s8  
2050 C6H4O2 parabenzoquinone pbq  
2051 C4H4N2O2 Uracil uracil  
2052 C6H5CHO benzaldehyde benzal  
2053 C6H5OCH3 Anisole anisole  
2054 C5H9NO2 Proline proline  
2055 C6H12O2 Methyl pivalate c598981  
2056 C6H12O2 Hexanoic acid hexa  
2057 C4F4 tetrafluorcyclobutadiene c4f4  
2058 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2059 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2060 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2061 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2062 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2063 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2064 C2F6 hexafluoroethane c2f6  
2065 C2Cl6 hexachloroethane c2cl6  
2066 IF7 Iodine heptafluoride if7  
2067 C6H4F2 metadifluorobenzene mdfb  
2068 C6H4F2 orthodifluorobenzene odfb  
2069 C6H4F2 1,4-difluorobenzene pdfb  
2070 C6H4Cl2 1,2-dichlorobenzene dcb12  
2071 C6H4Cl2 1,3-dichlorobenzene dcb13  
2072 C6H4Cl2 1,4-dichlorobenzene dcb14  
2073 C6H5NO nitrosobenzene bzno  
2074 C9H8 Indene indene  
2075 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2076 C9H12 n-propyl benzene prbz  
2077 C9H20 Nonane nonane  
2078 C(CN)4 tetracyanomethane c5n4  
2079 C5H4N4 purine purine  
2080 C8H7N Indole indole  
2081 C3H3N3O3 cyanuric acid cyanuric  
2082 C6H5NO2 Nitrobenzene c6h5no2  
2083 C6H5COOH benzoic acid benzo  
2084 CH3COC6H5 acetophenone acph  
2085 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2086 C3F6 hexafluoropropene c3f6  
2087 C6H3F3 Benzene trifluoride 123 bzf3a  
2088 C8H18O 1-Octanol octanol  
2089 C10H8 Azulene azu  
2090 C10H8 naphthalene naph  
2091 C10H10 bullvalene bullv  
2092 C10H16 adamantane adamantane  
2093 C6N4 Tetracyanoethylene tcne  
2094 C6N4- tetracyanoethylene anion tcne-  
2095 C10H22 Decane decane  
2096 C4F6 perfluorobutadiene c4f6  
2097 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2098 C3F8 perfluoropropane c3f8  
2099 Fe(CO)5 Iron pentacarbonyl ipc  
2100 Fe(C5H5)2 ferrocene fecp2  
2101 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2102 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2103 C12H8 Acenaphthylene acenaph  
2104 C12H8 biphenylene biph  
2105 C12H10 biphenyl biphenyl  
2106 C12H10 Heptalene heptalene  
2107 C6H12O6 Inositol inositol  
2108 C6F6 hexafluorobenzene c6f6  
2109 S2F10 disulphur decafluoride s2f10  
2110 C13H10 Fluorene fluorene  
2111 C14H10 Anthracene anth  
2112 C14H10 Phenanthrene phenanthrene  
2113 C14H14 Bibenzyl bibenzyl  
2114 C12H10N2 azobenzene azobenzene  
2115 C6H5COC6H5 benzophenone benzophenone  
2116 C16H10 Pyrene pyrene  
2117 C18H12 Tetracene tetracene  
2118 C19H16 Triphenylmethane tpm  
2119 C24H12 Coronene coronene  
2120 C60 Buckminsterfullerene c60