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 QCISD(TQ) /LANL2DZ

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

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He Helium atom he  
13 He- Helium atom anion he-  
14 He+ Helium atom cation he+  
15 HeH Helium hydride heh  
16 HeH+ Helium hydride cation heh+  
17 He2+ helium diatomic cation he2+  
18 Li- Lithium atom anion li-  
19 Li+ Lithium atom cation li+  
20 Na- Sodium atom anion na-  
21 Na+ Sodium atom cation na+  
22 K Potassium atom k  
23 K- Potassium atom anion k-  
24 K+ Potassium atom cation k+  
25 Cu Copper atom cu  
26 Cu- Copper atom anion cu-  
27 Cu+ Copper atom cation cu+  
28 LiH Lithium Hydride lih  
29 LiH- lithium hydride anion lih-  
30 LiH+ lithium hydride cation lih+  
31 NaH sodium hydride nah  
32 NaH- sodium hydride anion nah-  
33 NaH+ sodium hydride cation nah+  
34 KH Potassium hydride kh  
35 KH+ Potassium hydrogen cation kh+  
36 CuH Copper monohydride cuh  
37 Be- Beryllium atom anion be-  
38 Be+ Beryllium atom cation be+  
39 Mg- Magnesium atom anion mg-  
40 Mg+ Magnesium atom cation mg+  
41 Ca Calcium atom ca  
42 Ca- Calcium atom anion ca-  
43 Ca+ Calcium atom cation ca+  
44 Zn Zinc atom zn  
45 Zn- Zinc atom anion zn-  
46 Zn+ Zinc atom cation zn+  
47 BeH beryllium monohydride beh  
48 BeH- berylium monohydride anion beh-  
49 BeH+ beryllium monohydride cation beh+  
50 MgH magnesium monohydride mgh  
51 MgH- magnesium monohydride anion mgh-  
52 MgH+ magnesium monohydride cation mgh+  
53 CaH Calcium monohydride cah  
54 CaH+ Calcium monohydride cation cah+  
55 TiH Titanium monohydride tih  
56 ZnH Zinc monohydride znh  
57 ZnH+ Zinc, protonated znh+  
58 BeH2 beryllium dihydride beh2  
59 BeH2+ Beryllium dihydride cation beh2+  
60 MgH2 magnesium dihydride mgh2  
61 CaH2 Calcium Hydride cah2  
62 ZnH2 Zinc hydride znh2  
63 B- Boron atom anion b-  
64 Al- Aluminum atom anion al-  
65 Al+ Aluminum atom cation al+  
66 Sc Scandium atom sc  
67 Sc+ Scandium cation sc+  
68 Ga Gallium atom ga  
69 Ga- Gallium atom anion ga-  
70 Ga+ Gallium atom cation ga+  
71 BH Boron monohydride bh  
72 BH- boron monohydride anion bh-  
73 BH+ boron monohydride cation bh+  
74 AlH aluminum monohydride alh  
75 AlH- aluminum monohydride anion alh-  
76 AlH+ aluminum monohydride cation alh+  
77 ScH Scandium monohydride sch  
78 ScH+ Scandium monohydride cation sch+  
79 GaH Gallium monohydride gah  
80 GaH+ Gallium monohydride cation gah+  
81 BH2 boron dihydride bh2  
82 BH2- boron dihydride anion bh2-  
83 BH2+ Boron dihydride cation bh2+  
84 AlH2 aluminum dihydride alh2  
85 AlH2- aluminum dihydride anion alh2-  
86 AlH2+ aluminum dihydride cation alh2+  
87 BH3 boron trihydride bh3  
88 BH3- boron trihydride anion bh3-  
89 BH3+ boron trihydride cation bh3+  
90 AlH3 aluminum trihydride alh3  
91 AlH3- aluminum trihydride anion alh3-  
92 AlH3+ aluminum trihydride cation alh3+  
93 ScH3 Scandium trihydride sch3  
94 GaH3 Gallium trihydride gah3  
95 BH4 borohydride bh4  
96 BH4- borohydride anion bh4-  
97 AlH4- Aluminum tetrahydride anion alh4-  
98 C- Carbon atom anion c-  
99 C+ Carbon atom cation c+  
100 Si- Silicon atom anion si-  
101 Si+ Silicon atom cation si+  
102 Ti Titanium atom ti  
103 Ti- Titanium atom anion ti-  
104 Ti+ Titanium atom cation ti+  
105 Ge Germanium atom ge  
106 Ge- Germanium anion ge-  
107 Ge+ Germanium cation ge+  
108 Sn Tin atom sn  
109 Sn+ Tin cation sn+  
110 CH Methylidyne ch  
111 CH- methylidyne anion ch-  
112 CH+ Methylidyne cation ch+  
113 SiH Silylidyne sih  
114 SiH- silicon monohydride anion sih-  
115 SiH+ silicon monohydride cation sih+  
116 GeH germylidene geh  
117 GeH+ Germaniun monohyrdide cation geh+  
118 CH2 Methylene ch2  
119 CH2- methylene anion ch2-  
120 CH2+ methylene cation ch2+  
121 SiH2 silicon dihydride sih2  
122 SiH2- silicon dihydride anion sih2-  
123 SiH2+ silicon dihydride cation sih2+  
124 GeH2 germylene geh2  
125 GeH2- germylene anion geh2-  
126 CH3 Methyl radical ch3  
127 CH3- methyl anion ch3-  
128 CH3+ methyl cation ch3+  
129 SiH3 Silyl radical sih3  
130 SiH3- Silyl anion sih3-  
131 SiH3+ Silyl cation sih3+  
132 GeH3 Germyl radical geh3  
133 GeH3+ germyl cation geh3+  
134 CD4 methane-d4 cd4  
135 CH2D2 methane-d2 ch2d2  
136 CH3D methane-d ch3d  
137 CH4- Methane anion ch4-  
138 CH4+ Methane cation ch4+  
139 CHD3 methane-d3 chd3  
140 SiH2D2 silane-d2 sih2d2  
141 SiH4 Silane sih4  
142 SiH4+ Silane cation sih4+  
143 GeH4 Germane geh4  
144 SnH4 Stannane snh4  
145 SiH5+ Silane, protonated sih5+  
146 N- Nitrogen atom anion n-  
147 P- Phosphorus atom anion p-  
148 P+ Phosphorus atom cation p+  
149 V Vanadium atom v  
150 V+ Vanadium atom cation v+  
151 As Arsenic atomic as  
152 As- Arsenic anion as-  
153 As+ Arsenic cation as+  
154 Sb Antimony atom sb  
155 NH Imidogen nh  
156 NH- Imidogen anion nh-  
157 NH+ imidogen cation nh+  
158 PH phosphorus monohydride ph  
159 PH- phosphorus monohydride anion ph-  
160 PH+ phosphorus monohydride cation ph+  
161 AsH Arsenic monohydride ash  
162 AsH+ Arsenic monohydride cation ash+  
163 SbH Antimony monohydride sbh  
164 ND2 Amidogen-d2 nd2  
165 NH2 Amino radical nh2  
166 NH2- amino anion nh2-  
167 NH2+ Amino cation nh2+  
168 PH2 Phosphino radical ph2  
169 PH2- Phosphino anion ph2-  
170 PH2+ Phosphino cation ph2+  
171 AsH2 Arsenic dihydride ash2  
172 AsH2+ Arsenic dihydride cation ash2+  
173 ND3 Ammonia-d3 nd3  
174 NH3- Ammonia anion nh3-  
175 NH3+ ammonia cation nh3+  
176 PH3 Phosphine ph3  
177 PH3+ Phosphine cation ph3+  
178 AsH3 Arsine ash3  
179 AsH3+ Arsine cation ash3+  
180 SbH3 Stibine sbh3  
181 AsH4+ Arsonium ash4+  
182 NH4 Ammonium radical nh4  
183 NH4+ ammonium cation nh4+  
184 PH4 Phosphoranyl radical ph4  
185 PH4+ phosphonium cation ph4+  
186 O- Oxygen atom anion o-  
187 S- Sulfur atom anion s-  
188 S+ Sulfur atom cation s+  
189 Cr Chromium atom cr  
190 Se Selenium atom se  
191 Se- Selenium atom anion se-  
192 Se+ Selenium atom cation se+  
193 Te Tellurium atom te  
194 Te+ Tellurium atom cation te+  
195 DO Hydroxyl-d od  
196 OH- hydroxide anion oh-  
197 OH+ hydoxyl cation oh+  
198 DS Mercapto-d ds  
199 HS Mercapto radical hs  
200 HS- mercapto anion sh-  
201 HS+ sulfur monohydride cation sh+  
202 CrH Chromium hydride crh  
203 CrH+ Chromium hydride cation crh+  
204 HSe Selenium monohydride hse  
205 HSe- selenium monohydride anion hse-  
206 HSe+ selenium monohydride cation hse+  
207 TeH Telluryl radical teh  
208 D2O Deuterium oxide d2o  
209 H2O- water anion h2o-  
210 H2O+ water cation h2o+  
211 HDO Water-d1 hdo  
212 D2S Hydrogen sulfide-d2 d2s  
213 H2S Hydrogen sulfide h2s  
214 H2S- Hydrogen sulfide anion h2s-  
215 H2S+ Hydrogen sulfide cation h2s+  
216 H2Se Hydrogen selenide h2se  
217 H2Se+ Hydrogen selenide cation h2se+  
218 H2Te Hydrogen Telluride h2te  
219 H3O+ hydronium cation h3o+  
220 H3S+ Sulfonium cation h3s+  
221 H3Se+ Hydrogen Selenide, protonated h3se+  
222 F- Fluorine atom anion f-  
223 Cl- Chlorine atom anion cl-  
224 Mn Manganese atom mn  
225 Br Bromine atom br  
226 Br- Bromine atom anion br-  
227 Br+ Bromine atom cation br+  
228 I Iodine atom iodine  
229 I- Iodine atom anion iodine-  
230 I+ Iodine atom cation iodine+  
231 DF Hydrofluoric acid-d df  
232 HF- hydrogen fluoride anion hf-  
233 HF+ hydrogen fluoride cation hf+  
234 DCl Hydrochloric acid-d dcl  
235 HCl- hydrogen chloride anion hcl-  
236 HCl+ hydrogen chloride cation hcl+  
237 HBr hydrogen bromide hbr  
238 HBr- hydrogen bromide anion hbr-  
239 HBr+ hydrogen bromide cation hbr+  
240 HI Hydrogen iodide hi  
241 HI+ Hydrogen iodide cation hi+  
242 H2F+ dihydrogen fluoride cation h2f+  
243 H2Cl+ dihydrogen monochloride cation h2cl+  
244 H2Br+ protonated hydrogen bromide h2br+  
245 H2I+ Iodonium h2i+  
246 Ne- Neon atom anion ne-  
247 Ar- Argon atom anion ar-  
248 Ar+ Argon atom cation ar+  
249 Fe Iron atom fe  
250 Kr Krypton atom kr  
251 Kr+ Krypton cation kr+  
252 Xe Xenon atom xe  
253 HeLi+ Helium Lithium cation heli+  
254 NeH neon hydrogen neh  
255 NeH+ neon hydrogen cation neh+  
256 ArH+ Argon hydride cation arh+  
257 KrH+ Protonated Krypton krh+  
258 XeH+ Xenon, protonated xeh+  
259 H2Ar H2 Ar dimer h2ar  
260 Co Cobalt atom cobalt  
261 Ni Nickel atom ni  
262 Li2 Lithium diatomic li2  
263 Li2- lithium diatomic anion li2-  
264 Li2+ lithium diatomic cation li2+  
265 NaLi lithium sodium lina  
266 NaLi- lithium sodium anion lina-  
267 NaLi+ lithium sodium cation lina+  
268 LiK Lithium Potassium lik  
269 Na2- sodium diatomic anion na2-  
270 Na2+ sodium diatomic cation na2+  
271 NaK Sodium Potassium nak  
272 NaK+ Sodium Potassium diatomic cation nak+  
273 K2 Potassium diatomic k2  
274 Cu2 Copper diatomic cu2  
275 LiBe Lithium Beryllium libe  
276 LiMg Lithium magnesium limg  
277 NaBe Sodium Beryllium nabe  
278 NaMg Sodium Magnesium namg  
279 Be2 Beryllium diatomic be2  
280 Be2- Beryllium diatomic anion be2-  
281 Be2+ Beryllium diatomic cation be2+  
282 BeMg Beryllium Magnesium bemg  
283 Mg2 Magnesium diatomic mg2  
284 Mg2- magnesium diatomic anion mg2-  
285 Mg2+ magnesium diatomic cation mg2+  
286 Ca2 Calcium diatomic ca2  
287 LiB Lithium boride lib  
288 LiAl Lithium Aluminum lial  
289 NaAl Sodium aluminum naal  
290 BeB Beryllium monoboride beb  
291 B2 Boron diatomic b2  
292 B2- Boron diatomic anion b2-  
293 B2+ Boron diatomic cation b2+  
294 BAl Boron Aluminum bal  
295 Al2 Aluminum diatomic al2  
296 Al2- aluminum diatomic anion al2-  
297 Al2+ aluminum diatomic cation al2+  
298 BGa Boron Gallium bga  
299 AlGa Aluminum Gallium alga  
300 Ga2 Gallium diatomic ga2  
301 HBBH Diborane(2) hbbh  
302 LiBH4 Lithium borohydride libh4  
303 B2H4 Diborane(4) D2d b2h4  
304 HBHHBH Diborane(4) C2V hbhhbh  
305 B2H6 Diborane b2h6  
306 B2H6+ Diborane cation b2h6  
307 Al2H6 dialane al2h6  
308 Ga2H6 digallane ga2h6  
309 LiC Lithium Carbide lic  
310 BeC Beryllium Carbide bec  
311 CaC Calcium monocarbide cac  
312 BC boron monocarbide bc  
313 BC- boron monocarbide anion bc-  
314 BC+ boron monocarbide cation bc+  
315 AlC Aluminum carbide alc  
316 BSi Boron silicide bsi  
317 C2 Carbon diatomic c2  
318 C2- carbon diatomic anion c2-  
319 C2+ carbon diatomic cation c2+  
320 SiC silicon monocarbide sic  
321 SiC- silicon monocarbide anion sic-  
322 SiC+ silicon monocarbide cation sic+  
323 Si2 Silicon diatomic si2  
324 Si2- silcon diatomic anion si2-  
325 Si2+ silcon diatomic cation si2+  
326 GeC Germanium monocarbide gec  
327 SiGe Silicon Germanium sige  
328 Ge2 Germanium diatomic ge2  
329 C2H Ethynyl radical c2h  
330 C2H- Ethynyl anion c2h-  
331 C2H+ Ethynyl cation c2h+  
332 ZnCH2 Zinc methylene znch2  
333 C2H2+ acetylene cation c2h2+  
334 CCH2 vinylidene vinylidene  
335 H2CC- vinylidene anion h2cc-  
336 HCCH- acetylene anion c2h2-  
337 Si2H2 disilyne si2h2  
338 CH3Li methyl lithium ch3li  
339 CuCH3 monomethyl copper cuch3  
340 ZnCH3 Zinc monomethyl znch3  
341 CH2BH methyleneborane ch2bh  
342 C2H3 vinyl c2h3  
343 C2H3- vinyl anion c2h3-  
344 C2H3+ vinyl cation c2h3+  
345 C2H4- Ethylene anion c2h4-  
346 C2H4+ Ethylene cation c2h4+  
347 CH3CH methylmethylene ch3ch  
348 CH2SiH2 silaethylene ch2sih2  
349 Si2H4 Disilene si2h4  
350 CH3BH2 methylborane ch3bh2  
351 C2H5 Ethyl radical c2h5  
352 C2H5- Ethyl anion c2h5-  
353 C2H5+ Ethyl cation c2h5+  
354 C2H6+ ethane cation c2h6+  
355 CH3SiH3 methyl silane ch3sih3  
356 Si2H6 disilane si2h6  
357 GeH3CH3 methyl germane geh3ch3  
358 C2H7+ Ethane, protonated c2h7+  
359 LiN Lithium Nitride lin  
360 LiN+ Lithium Nitride cation lin+  
361 LiP Lithium monophosphide lip  
362 BeN Beryllium mononitride ben  
363 BeN- Beryllium mononitride anion ben-  
364 BeN+ Beryllium mononitride cation ben+  
365 MgN Magnesium Nitride mgn  
366 BN- boron nitride anion bn-  
367 AlN- aluminum mononitride anion aln-  
368 AlN+ aluminum mononitride cation aln+  
369 BP Boron monophosphide bp  
370 AlP Aluminum monophosphide alp  
371 GaN Gallium mononitride gan  
372 GaP Gallium monophosphide gap  
373 GaAs Gallium arsenide gaas  
374 BN boron nitride bn  
375 BN+ boron nitride cation bn+  
376 AlN Aluminum nitride aln  
377 CN Cyano radical cn  
378 CN- cyanide anion cn-  
379 CN+ Cyano cation cn+  
380 CP Carbon monophosphide cp  
381 CP- carbon monophosphide anion cp-  
382 CP+ carbon monophosphide cation cp+  
383 SiN Silicon nitride sin  
384 SiN- silicon mononitride anion sin-  
385 SiN+ silicon mononitride cation sin+  
386 SiP Silicon monophosphide sip  
387 SiP- Silicon monophosphide anion sip-  
388 SiP+ Silicon monophosphide cation sip+  
389 TiN Titanium mononitride tin  
390 N2- nitrogen diatomic anion n2-  
391 N2+ diatomic nitrogen cation n2+  
392 PN Phosphorus mononitride pn  
393 PN- phosphorus nitride anion pn-  
394 PN+ phosphorus nitride cation pn+  
395 P2 Phosphorus diatomic p2  
396 P2- phosphorus diatomic anion p2-  
397 P2+ phosphorus diatomic cation p2+  
398 AsN Arsenic mononitride asn  
399 AsP Arsenic monophosphide asp  
400 SbN Antimony nitride sbn  
401 As2 Arsenic diatomic as2  
402 HNB hydrogen nitrogen boron hnb  
403 HNC hydrogen isocyanide hnc  
404 HCN Hydrogen cyanide hcn  
405 HCN- Hydrogen cyanide anion hcn-  
406 HCN+ hydrogen cyanide cation hcn+  
407 HNC+ hydrogen isocyanide cation hnc+  
408 HCP Phosphaethyne hcp  
409 HCP+ Phosphaethyne cation hcp+  
410 NNH Dinitrogen monohydride nnh  
411 NNH+ Dinitrogen monohydride cation nnh+  
412 HPO Hydrogen phosphorus oxide hpo  
413 HPO+ Hydrogen phosphorus oxide cation hpo+  
414 LiNH2 lithium amide linh2  
415 HBNH Boranimine hbnh  
416 CNH2 Aminomethylidyne radical cnh2  
417 CNH2+ N-protonated hydrogen isocyanide cnh2+  
418 H2CN Dihydrogen cyanide radical h2cn  
419 H2CN+ hydrocyanonium cation h2cn+  
420 HCNH methyleneazane hcnh  
421 HCNH+ N-protonated HCN hcnh+  
422 H2NN Isodiazene h2nn  
423 N2H2 (E)-diazene n2h2  
424 N2H2 (Z)-Diazene n2h2z  
425 N2H2+ trans-diazene cation n2h2+  
426 CH2NH Methanimine ch3n  
427 CH2NH+ Methanimine cation ch2nh+  
428 CHNH2 aminomethylene chnh2  
429 CHNH2+ Aminocarbene cation chnh2+  
430 CH2PH Phosphaethene ch3p  
431 BH2NH2 Boranamine bh2nh2  
432 CH2NH2+ methyleneamine cation ch2nh2+  
433 N2H4 Hydrazine n2h4  
434 N2H4+ hydrazine cation n2h4+  
435 P2H4 Diphosphine p2h4  
436 CH3NH2 methyl amine ch3nh2  
437 CH3NH2+ methyl amine cation ch3nh2+  
438 CH3PH2 Methyl phosphine ch3ph2  
439 SiH3NH2 Silane, amino sih3nh2  
440 N2H5+ protonated hydrazine n2h5+  
441 BH3PH3 borane phosphine bh3ph3  
442 BH3NH3 borane ammonia bh3nh3  
443 CH3NH3 methyl ammonium radical ch3nh3  
444 CH3NH3+ protonated methylamine ch3nh3+  
445 CH3PH3+ methyl phosphine, protonated ch3ph3+  
446 NH3NH3 Ammonia Dimer nh3nh3  
447 N2H7+ ammonia ammonium dimer n2h7+  
448 LiO lithium oxide lio  
449 LiO- lithium oxide anion lio-  
450 LiO+ lithium oxide cation lio+  
451 LiS Lithium monosulfide lis  
452 LiS+ Lithium sulfide cation lis+  
453 NaO sodium monoxide nao  
454 NaO- sodium oxide anion nao-  
455 NaO+ sodium oxide cation nao+  
456 KO Potassium monoxide ko  
457 KO+ Potassium monoxide cation ko+  
458 NaS Sodium sulfide nas  
459 CuO Copper Monoxide cuo  
460 LiSe Lithium monoselenide lise  
461 BeO beryllium oxide beo  
462 BeO- Beryllium monoxide anion beo-  
463 BeO+ Beryllium monoxide cation beo+  
464 BeS beryllium sulfide bes  
465 MgO magnesium oxide mgo  
466 MgO- magnesium oxide anion mgo-  
467 MgO+ magnesium oxide cation mgo+  
468 CaO Calcium monoxide cao  
469 MgS magnesium sulfide mgs  
470 MgS- magnesium sulfide anion mgs-  
471 MgS+ magnesium sulfide cation mgs+  
472 CaS Calcium sulfide cas  
473 ZnO zinc monoxide zno  
474 ZnS Zinc sulfide zns  
475 BeS- Beryllium monosulfide anion bes-  
476 BeS+ Beryllium monosulfide cation bes+  
477 BO boron monoxide bo  
478 BO- boron monoxide anion bo-  
479 AlO Aluminum monoxide alo  
480 AlO- Aluminum monoxide anion alo-  
481 AlO+ aluminum monoxide cation alo+  
482 BS boron sulfide bs  
483 BS- boron monosulfide anion bs-  
484 BS+ boron monosulfide cation bs+  
485 AlS Aluminum sulfide als  
486 AlS- aluminum monosulfide anion als-  
487 AlS+ aluminum monosulfide cation als+  
488 ScO Scandium monoxide sco  
489 GaO Gallium monoxide gao  
490 GaS Gallium monosulfide gas  
491 BO+ boron monoxide cation bo+  
492 CO- carbon monoxide anion co-  
493 CO+ carbon monoxide cation co+  
494 CS carbon monosulfide cs  
495 CS- carbon monosulfide anion cs-  
496 CS+ carbon monosulfide cation cs+  
497 SiO Silicon monoxide sio  
498 SiO- silicon monoxide anion sio-  
499 SiO+ silicon monoxide cation sio+  
500 SiS silicon monosulfide sis  
501 SiS- silicon monosulfide anion sis-  
502 SiS+ silicon monosulfide cation sis+  
503 TiO Titanium monoxide tio  
504 CSe Carbon monoselenide cse  
505 CSe- Carbon monoselenide anion cse-  
506 CSe+ Carbon monoselenide cation cse+  
507 GeO Germanium monoxide geo  
508 GeO+ Germanium monoxide cation geo+  
509 GeS Germanium monosulfide ges  
510 SiSe Silicon Monoselenide sise  
511 SiSe+ Silicon Monoselenide cation sise+  
512 GeSe Germanium monoselenide gese  
513 NO- nitric oxide anion no-  
514 NO+ nitric oxide cation no+  
515 NS Mononitrogen monosulfide ns  
516 NS- nitrogen sulfide anion ns-  
517 NS+ nitrogen sulfide cation ns+  
518 PO Phosphorus monoxide po  
519 PO- phosphorus monoxide anion po-  
520 PO+ phosphorus monoxide cation po+  
521 PS phosphorus sulfide ps  
522 PS- phosphorus monosulfide anion ps-  
523 PS+ phosphorus monosulfide cation ps+  
524 VO Vanadium monoxide vo  
525 AsO Arsenic monoxide aso  
526 NSe Nitrogen monoselenide nse  
527 AsS Arsenic monosulfide ass  
528 PSe Phosphorus monoselenide pse  
529 AsSe Arsenic monoselenide asse  
530 O2- oxygen diatomic anion o2-  
531 O2-- dioxygen dianion o2--  
532 O2+ diatomic oxygen cation o2+  
533 SO Sulfur monoxide so  
534 SO- sulfur monoxide anion so-  
535 SO+ sulfur monoxide cation so+  
536 S2 Sulfur diatomic s2  
537 S2- sulfur diatomic anion s2-  
538 S2+ sulfur diatomic cation s2+  
539 SeO Selenium monoxide seo  
540 SeO- selenium monoxide anion seo-  
541 SeO+ selenium monoxide cation seo+  
542 SeS Selenium monosulfide ses  
543 SeS- selenium monosulfide anion ses-  
544 SeS+ selenium monosulfide cation ses+  
545 TeO Tellurium monoxide teo  
546 Se2 Selenium diatomic se2  
547 Se2- selenium diatomic anion se2-  
548 Se2+ selenium diatomic cation se2+  
549 Te2 Tellurium diatomic te2  
550 LiOH lithium hydroxide lioh  
551 NaOH sodium hydroxide naoh  
552 KOH Potassium hydroxide koh  
553 BeOH beryllium monohydroxide beoh  
554 MgOH magnesium hydroxide mgoh  
555 CaOH Calcium monohydroxide caoh  
556 HBO Boron hydride oxide hbo  
557 HBS hydrogen boron sulfide hbs  
558 COH Hydroxymethylidyne coh  
559 COH+ Carbon Monoxide, protonated coh+  
560 HCO Formyl radical hco  
561 HCO- formyl anion hco-  
562 HCO+ Formyl cation hco+  
563 HCS Thioformyl radical hcs  
564 HCS- Thioformyl anion hcs-  
565 HCS+ Thioformyl cation hcs+  
566 HNO Nitrosyl hydride hno  
567 HNO- Nitrosyl hydride anion hno-  
568 HNO+ Nitrosyl hydride cation hno+  
569 NOH Hydroxyimidogen noh  
570 NOH+ O-protonated nitric oxide noh+  
571 HNS Sulfur imide hns  
572 HNS- Sulfur imide anion hns-  
573 HO2 Hydroperoxy radical ho2  
574 HO2- Hydroperoxy anion ho2-  
575 HO2+ Hydroperoxy cation ho2+  
576 HSO+ Sulfur Monoxide, S-protonated HSO+  
577 SOH Sulfur Hydroxide soh  
578 SOH+ Sulfur Monoxide, protonated soh+  
579 HS2 Thiosulfeno radical hs2  
580 H2CO- formaldehyde anion h2co-  
581 H2CO+ formaldehyde cation h2co+  
582 HOCH hydroxycarbene hoch  
583 H2CS Thioformaldehyde h2cs  
584 H2CS- thioformaldehyde anion h2cs-  
585 H2CS+ thioformaldehyde cation h2cs+  
586 H2CSe Selenoformaldehyde h2cse  
587 H2NO nitroxide h2no  
588 H2O2 Hydrogen peroxide h2o2  
589 H2O2+ Hydrogen peroxide cation h2o2+  
590 H2OO water oxide h2oo  
591 HOSH hydrogen thioperoxide hosh  
592 H2S2 Disulfane h2s2  
593 H2S2+ hydrogen disulfide cation h2s2+  
594 H2Se2 hydrogen diselenide h2se2  
595 CH2OH Hydroxymethyl radical ch2oh  
596 CH2OH+ hydroxymethyl cation ch2oh+  
597 CH3O Methoxy radical ch3o  
598 CH3O- methoxy anion ch3o-  
599 CH3O+ Methoxy cation ch3o+  
600 CH3S thiomethoxy ch3s  
601 H2CSH+ Thioformaldehyde, protonated h2csh+  
602 NH2OH hydroxylamine nh2oh  
603 NH2OH+ Hydroxylamine cation nh2oh+  
604 NH3O Ammonia Oxide nh3o  
605 H2POH Phosphinous acid h2poh  
606 H3PO Phosphine oxide h3po  
607 NH2SH Thiohydroxylamine nh2sh  
608 NH3S sulfidoazane nh3s  
609 H3O2+ hydrogen peroxide, protonated h3o2+  
610 CH3OH Methyl alcohol ch3oh  
611 CH3OH- Methyl alcohol anion ch3oh-  
612 CH3OH+ Methyl alcohol cation ch3oh+  
613 CH3SH Methanethiol ch3sh  
614 CH3SH+ Methanethiol cation ch3sh+  
615 SiH3OH silanol sih3oh  
616 CH3SeH Methane selenol ch3seh  
617 NH2OH2+ protonated hydroxylamine nh2oh2+  
618 NH3OH+ N-protonated hydroxylamine nh3oh+  
619 H2OH2O water dimer h2oh2o  
620 CH3OH2+ Methanol, protonated ch3oh2+  
621 CH3SH2+ protonated methylsulfide ch3sh2+  
622 H2ONH3 Water Ammonia Dimer h2onh3  
623 H5O2+ Dihydroxonium ion h5o2+  
624 LiF lithium fluoride lif  
625 LiCl lithium chloride licl  
626 LiCl- lithium chloride anion licl-  
627 LiCl+ lithium chloride cation licl+  
628 NaF sodium fluoride naf  
629 NaF- sodium fluoride anion naf-  
630 NaF+ sodium fluoride cation naf+  
631 KF Potassium Fluoride kf  
632 NaCl Sodium Chloride nacl  
633 NaCl- sodium chloride anion nacl-  
634 NaCl+ sodium chloride cation nacl+  
635 KCl Potassium Chloride kcl  
636 CuF Copper monofluoride cuf  
637 LiBr Lithium Bromide libr  
638 LiBr- lithium bromide anion libr-  
639 LiBr+ lithium bromide cation libr+  
640 CuCl Copper monochloride cucl  
641 NaBr Sodium Bromide nabr  
642 NaBr- sodium bromide anion nabr-  
643 NaBr+ sodium bromide cation nabr+  
644 KBr Potassium Bromide kbr  
645 LiI Lithium Iodide lii  
646 NaI Sodium Iodide nai  
647 KI Potassium Iodide ki  
648 LiF- lithium fluoride anion lif-  
649 LiF+ lithium fluoride cation lif+  
650 BeF Beryllium monofluoride bef  
651 BeF- Beryllium monofluoride anion bef-  
652 BeF+ Beryllium monofluoride cation bef+  
653 BeCl beryllium monochloride becl  
654 MgF Magnesium monofluoride mgf  
655 MgF- magnesium fluoride anion mgf-  
656 MgF+ magnesium fluoride cation mgf+  
657 CaF Calcium monofluoride caf  
658 MgCl magnesium monochloride mgcl  
659 MgCl- magnesium monochloride anion mgcl-  
660 MgCl+ magnesium monochloride cation mgcl+  
661 CaCl calcium monochloride cacl  
662 TiCl Titanium Monochloride ticl  
663 ZnF Zinc monofluoride znf  
664 ZnF- Zinc monofluoride anion znf-  
665 ZnF+ Zinc monofluoride cation znf+  
666 ZnCl Zinc monochloride zncl  
667 CaBr Calcium monobromide cabr  
668 BeCl- beryllium monochloride anion becl-  
669 BeCl+ beryllium monochloride cation becl+  
670 BF- Boron monofluoride anion bf-  
671 BF+ Boron monofluoride cation bf+  
672 AlF Aluminum monofluoride alf  
673 AlF- Aluminum monofluoride anion alf-  
674 AlF+ Aluminum monofluoride cation alf+  
675 BCl boron monochloride bcl  
676 BCl- boron monochloride anion bcl-  
677 BCl+ boron monochloride cation bcl+  
678 AlCl Aluminum monochloride alcl  
679 AlCl- aluminum monochloride anion alcl-  
680 AlCl+ aluminum monochloride cation alcl+  
681 ScF Scandium monofluoride scf  
682 BBr Boron monobromide bbr  
683 GaF Gallium monofluoride gaf  
684 GaF+ Gallium monofluoride cation gaf+  
685 AlBr Aluminum monobromide albr  
686 GaCl Gallium monochloride gacl  
687 GaCl+ Gallium monochloride cation gacl+  
688 AlI Aluminum monoiodide ali  
689 GaBr Gallium monobromide gabr  
690 CF Fluoromethylidyne cf  
691 CF- carbon monofluoride anion cf-  
692 CF+ carbon monofluoride cation cf+  
693 CCl carbon monochloride ccl  
694 CCl- carbon monochloride anion ccl-  
695 CCl+ carbon monochloride cation ccl+  
696 SiF silicon monofluoride sif  
697 SiF- silicon monofluoride anion sif-  
698 SiF+ silicon monofluoride cation sif+  
699 SiCl Clorosilylidyne sicl  
700 SiCl- silicon monochloride anion sicl-  
701 SiCl+ silicon monochloride cation sicl+  
702 CBr Carbon monobromide cbr  
703 GeF Germanium monofluoride gef  
704 GeF+ Germanium monofluoride cation gef+  
705 GeCl Germanium monochloride gecl  
706 GeCl+ Germanium monochloride cation gecl+  
707 SiBr Silicon monobromide sibr  
708 SiBr+ Silicon monobromide cation sibr+  
709 NF nitrogen fluoride nf  
710 NF- nitrogen monofluorine anion nf-  
711 NF+ nitrogen monofluoirde cation nf+  
712 NCl nitrogen monochloride ncl  
713 NCl- nitrogen monochloride anion ncl-  
714 NCl+ nitrogen monochloride cation ncl+  
715 PF phosphorus monofluoride pf  
716 PF- phosphorus monofluoride anion pf-  
717 PF+ phosphorus monofluoride cation pf+  
718 PCl phosphorus chloride pcl  
719 PCl- phosphorus monochloride anion pcl-  
720 PCl+ phosphorus monochloride cation pcl+  
721 AsF Arsenic monofluoride asf  
722 NBr nitrogen monobromide nbr  
723 AsCl Arsenic monochloride ascl  
724 PBr Phosphorus monobromide pbr  
725 SbF Antimony monofluoride sbf  
726 SbCl Antimony monochloride sbcl  
727 FO Oxygen monofluoride fo  
728 FO- flourine oxide anion fo-  
729 FO+ fluorine monoxide cation fo+  
730 ClO Monochlorine monoxide clo  
731 ClO- chlorine monoxide anion clo-  
732 ClO+ chlorine monoxide cation clo+  
733 SF Monosulfur monofluoride sf  
734 SF- sulfur monofluoride anion sf-  
735 SF+ sulfur monofluoride cation sf+  
736 SCl sulfur monochloride scl  
737 SCl- sulfur monochloride anion scl-  
738 SCl+ sulfur monochloride cation scl+  
739 BrO Bromine monoxide bro  
740 BrO- Bromine monoxide anion bro-  
741 BrO+ Bromine monoxide cation bro+  
742 SeF Selenium monofluoride sef  
743 SBr Sulfur monobromide radical sbr  
744 SBr+ Sulfur monobromide cation sbr+  
745 SeCl Selenium monochloride secl  
746 IO Iodine monoxide io  
747 SeBr Selenium monobromide sebr  
748 BrCl Bromine monochloride brcl  
749 F2- flourine diatomic anion f2-  
750 F2+ flourine diatomic cation f2+  
751 ClF Chlorine monofluoride clf  
752 ClF- clorine monofluoride anion clf-  
753 ClF+ clorine monofluoride cation clf+  
754 Cl2- chlorine diatomic anion cl2-  
755 Cl2+ chlorine diatomic cation cl2+  
756 BrF Bromine monofluoride brf  
757 BrF- bromine fluoride anion brf-  
758 BrF+ bromine fluoride cation brf+  
759 BrCl- bromine chloride anion brcl-  
760 BrCl+ bromine chloride cation brcl+  
761 IF Iodine monofluoride if  
762 Br2 Bromine diatomic br2  
763 Br2- bromine diatomic anion br2-  
764 Br2+ bromine diatomic cation br2+  
765 ICl Iodine monochloride icl  
766 IBr Iodine monobromide ibr  
767 I2 Iodine diatomic i2  
768 I2+ Iodine diatomic cation i2+  
769 HCF Fluoromethylene hcf  
770 HCCl Chloromethylene hccl  
771 HSiF fluorosilylene hsif  
772 HSiCl Chlorosilylene hsicl  
773 HSiBr monobromosilylene hsibr  
774 CHBr bromomethylene chbr  
775 HOF Hypofluorous acid hfo  
776 DOCl Hypochlorous acid-d docl  
777 HOCl hypochlorous acid hocl  
778 HOCl+ hypochlorous acid cation hocl+  
779 HOBr Hypobromous acid hobr  
780 HOBr+ Hypobromous acid cation hobr+  
781 HOI Hypoiodous acid hoi  
782 F2H+ Fluorine, protonated f2h+  
783 FHF Hydrogen difluoride fhf  
784 FHF- Hydrogen difluoride anion fhf-  
785 ClFH+ Chlorine fluoride, F-protonated clfh+  
786 FClH+ Chlorine fluoride, Cl-protonated fclh+  
787 Cl2H+ Chlorine, protonated cl2h+  
788 CH2Br bromomethyl radical ch2br  
789 CH2F fluoromethyl radical ch2f  
790 CH2F+ fluoromethyl cation ch2f+  
791 CH2Cl+ chloromethyl cation ch2cl+  
792 CH2Cl chloromethyl radical ch2cl  
793 NH2F monofluoroamine nh2f  
794 NH2Cl chloramine nh2cl  
795 H2F2 Hydrogen fluoride dimer h2f2  
796 CH3F+ methyl fluoride cation ch3f+  
797 CD3F methylfluoride-d3 cd3f  
798 CH3F Methyl fluoride ch3f  
799 CD3Cl methyl chloride d3 cd3cl  
800 CH3Cl Methyl chloride ch3cl  
801 CH3Cl+ Methyl chloride cation ch3cl+  
802 SiH3F monofluorosilane sih3f  
803 SiH3Cl chlorosilane sih3cl  
804 CH3Br methyl bromide ch3br  
805 GeH3F monofluorogermane geh3f  
806 GeH3Cl monochlorogermane geh3cl  
807 SiH3Br bromosilane sih3br  
808 CH3I methyl iodide ch3i  
809 SiH3I Silyl Iodide sih3i  
810 NH3Cl+ protonated monochloroammonia nh3cl+  
811 CH3ClH+ methyl chloride, protonated ch3clh+  
812 NH4Cl Ammonium chloride nh4cl  
813 LiNe+ Lithium Neon cation line+  
814 Ne2 Neon diatomic ne2  
815 Ne2+ Neon diatomic cation ne2+  
816 Ar2 Argon diatomic ar2  
817 Ar2+ Argon diatomic cation ar2+  
818 Li3 Lithium trimer li3  
819 Li3+ Lithium trimer cation li3+  
820 C3 carbon trimer c3  
821 C3+ carbon trimer cation c3+  
822 SiC2 Silicon dicarbide sic2  
823 C3H3 cyclopropenyl radical cpr  
824 C3H3 Propargyl radical propargyl  
825 C3H3- Propargyl anion c3h3-  
826 C3H3+ cyclopropenyl cation cpr+  
827 C3H3+ Propargyl cation c3h3+  
828 C3H4 cyclopropene cprop  
829 CH2CCH2 allene allene  
830 CH3CCH propyne propyne  
831 C3H5+ Allyl cation allyl+  
832 CH3CHCH 1-propenyl radical ch3chch  
833 Zn(CH3)2 dimethyl zinc dmz  
834 C3H7 n-Propyl radical npropyl  
835 C3H7+ cyclopropane, protonated c3h7+  
836 CH3CHCH3 Isopropyl radical isopropyl  
837 CH3CHCH3+ Isopropyl cation prop2yl+  
838 C3H8 Propane propane  
839 SiH2(CH3)2 dimethylsilane dms  
840 Si3H8 trisilane si3h8  
841 LiCN lithium cyanide licn  
842 NaCN Sodium Cyanide nacn  
843 KCN Potassium cyanide kcn  
844 CuCN Copper cyanide cucn  
845 ZnCN Zinc monocyanide zncn  
846 ZnNC Zinc isocyanide znnc  
847 AlCN Aluminum monocyanide alcn  
848 AlNC Aluminum isocyanide alnc  
849 CN2 3H-Diazirin-3-ylidene cn2  
850 CNN Diazocarbene cnn  
851 NCN Cyanoimidogen ncn  
852 N3 azide radical n3  
853 N3- azide anion n3-  
854 N3+ azide cation n3+  
855 HCCN cyanomethylene hccn  
856 HCNN diazomethyl radical hcnn  
857 HN3 hydrogen azide hn3  
858 HN3+ Hydrazoic acid cation hn3+  
859 HNCNH diiminomethane hncnh  
860 CH2N2 diazirine ch2n2  
861 CH2NN diazomethane ch2nn  
862 NH2CN cyanamide cyanamide  
863 HNNNH+ 1,2-Triazadienium n2h3+  
864 NH2NN+ hydrazoic acid, protonated nh2nn+  
865 CH3CN Acetonitrile ch3cn  
866 CH3CN- acetonitrile anion ch3cn-  
867 CH3CN+ Acetonitrile cation ch3cn+  
868 CH3NC methyl isocyanide ch3nc  
869 CHNCH2 2H-Azirine c157164  
870 CHNHCH 1H-Azirine chnhch  
871 H2CCNH Ethenimine ch2cnh  
872 H2CNCH methyleneaminomethylene ch2nch  
873 HCCNH2 Ethynamine hccnh2  
874 HCNCH2+ 2H-Azirine cation hcnch2+  
875 HNCNH2+ diiminomethane, protonated hncnh2+  
876 NCNH3+ Cyanamide, protonated ncnh3+  
877 NH2CNH+ cyanamide, cn protonated nh2cnh+  
878 NH3CN+ cyanamide, amine protonated nh3cn+  
879 CH2CHNH vinylazine ch2chnh  
880 CH3CHN methylmethaniminyl radical ch3chn  
881 NHCHNH2 aminomethanimine cn2h4  
882 C2H5N Aziridine c2h5n  
883 CH2CHNH2 aminoethene aminoethene  
884 CH2NCH3 N-methylmethanimine nmm  
885 CH3CHNH ethanimine ethanimine  
886 NH2BHNH2 diaminoborane nh2bhnh2  
887 C2H5NH+ Protonated Aziridine c2h5nh+  
888 C2H6N+ aziridine, protonated c2h6n+  
889 NH2CH2NH2 diaminomethane nh2ch2nh2  
890 CH3CH2NH2 Ethylamine etam  
891 CH3NHCH3 Dimethylamine ch3nhch3  
892 CH3PHCH3 dimethylphosphine ch3phch3  
893 NH2CH2NH3+ diaminoethane, protonated pdam  
894 (CH3)2NH2+ dimethylammonium cation dmam  
895 CH3CH2NH3+ ethylamine, protonated pea  
896 Li2O dilithium oxide li2o  
897 Li2O+ dilithium oxide cation li2o+  
898 Li2S dilithium sulfide li2s  
899 Na2O disodium monoxide na2o  
900 Na2S Sodium sulfide na2s  
901 LiO2 Lithium dioxide lio2  
902 NaO2 Sodium superoxide nao2  
903 CCO Dicarbon monoxide cco  
904 CNO- fulminate cno-  
905 NCO isocyanato radical nco  
906 NCO- cyanate nco-  
907 SCN thiocyanato radical scn  
908 SCN- thiocyanide anion scn-  
909 BO2 Boron dioxide bo2  
910 BO2- Boron dioxide anion bo2-  
911 BO2+ Boron dioxide cation bo2+  
912 N2O Nitrous oxide n2o  
913 N2O- Nitrous oxide anion n2o-  
914 N2O+ Nitrous oxide cation n2o+  
915 NNS Nitrogen sulfide nns  
916 PPO Phosphorus oxide phosphide ppo  
917 CO2- Carbon dioxide anion co2-  
918 CO2+ Carbon dioxide cation co2+  
919 OCS Carbonyl sulfide cos  
920 OCS+ Carbonyl sulfide cation cos+  
921 SiO2 silicon dioxide sio2  
922 CS2 Carbon disulfide cs2  
923 CS2- Carbon disulfide anion cs2-  
924 CS2+ Carbon disulfide cation cs2+  
925 TiO2 Titanium dioxide tio2  
926 SiS2 Silicon disulfide sis2  
927 GeO2 Germanium dioxide geo2  
928 OCSe Carbonyl selenide ocse  
929 SCSe Carbon sulfide selenide scse  
930 GeS2 Germanium disulfide ges2  
931 CSe2 Carbon diselenide cse2  
932 SCTe Carbon sulfide Telluride scte  
933 NO2 Nitrogen dioxide no2  
934 NO2- Nitrogen dioxide anion no2-  
935 NO2+ Nitrogen dioxide cation no2+  
936 NSO sulfinyl amidogen NSO  
937 PO2 Phosphorus dioxide po2  
938 PO2- Phosphorus dioxide anion po2-  
939 PO2+ Phosphorus dioxide cation po2+  
940 SNO Nitrogen oxide sulfide sno  
941 AsO2 Aresenic dioxide aso2  
942 O3 Ozone o3  
943 O3- Ozone anion o3-  
944 O3+ Ozone cation o3+  
945 SO2- Sulfur dioxide anion so2-  
946 SO2+ Sulfur dioxide cation so2+  
947 SSO Disulfur monoxide sso  
948 S3 Sulfur trimer s3  
949 S3- Sulfur trimer anion s3-  
950 S3+ Sulfur trimer cation s3+  
951 SeO2 Selenium dioxide seo2  
952 SeO2+ Selenium dioxide cation seo2+  
953 TeO2 Tellurium Dioxide teo2  
954 HCCO ketenyl radical ketenyl  
955 CS2H+ Carbon disulfide, protonated cs2h+  
956 HCNO fulminic acid hcno  
957 HNCO Isocyanic acid hnco  
958 HOCN cyanic acid hocn  
959 HNCS Isothiocyanic acid hncs  
960 HSCN thiocyanic acid hscn  
961 HCO2- formate anion hco2-  
962 HNNO nitrosoazane hnno  
963 HNNO+ Nitrous oxide, N-protonated hnno+  
964 NNOH+ Nitrous Oxide, O-protonated nnoh+  
965 HCOO formate neutral radical hcoo  
966 HOCO Hydrocarboxyl radical hoco  
967 HOCO+ Hydrocarboxyl cation hoco+  
968 HNO2 Nitrous acid hno2  
969 HNO2+ nitrous acid cation hno2+  
970 O3H+ protonated ozone o3h+  
971 SO2H+ protonated sulfur dioxide so2h+  
972 C2H2O Oxirene oxirene  
973 CH2CO Ketene ch2co  
974 CH2CO+ Ketene cation ch2co+  
975 HCCOH ethynol hccoh  
976 CH2CS Thioketene ch2cs  
977 Be(OH)2 Beryllium hydroxide beo2h2  
978 Mg(OH)2 Magnesium dihydroxide h2mgo2  
979 NH2NO Nitrosamide nh2no  
980 CH2O2 Dioxirane diox  
981 H2COO Dioxymethyl radical h2coo  
982 H2COO+ dioxymethyl cation h2coo+  
983 HCOOH Formic acid ch2o2  
984 H2O3 Hydrogen trioxide h2o3  
985 HSSSH trisulfane hsssh  
986 NaOCH3 Sodium methoxide naoch3  
987 CH2BOH hydroxy(methylene)borane ch2boh  
988 BH3CO Borane carbonyl bh3co  
989 CH3BO Borane, methyloxo- ch3bo  
990 CH2CHO Vinyloxy radical ch2cho  
991 CH2COH+ ketene, protonated ch2coh+  
992 CH3CO Acetyl radical ch3co  
993 CH3CO- Acetyl anion ch3co-  
994 CH3CO+ acetyl cation ch3co+  
995 CH2NOH formaldoxime ch2noh  
996 CH3NO nitrosomethane ch3no  
997 CHONH2 formamide formamide  
998 CNOH3 1,2-oxaziridine cnoh3  
999 HOCHNH hydroxymethylimine hochnh  
1000 CHSNH2 thioformamide chsnh2  
1001 NHCHSH Methanimidothioic acid nhchsh  
1002 CH2OOH CH2OOH radical ch2ooh  
1003 CH3OO methylperoxy radical ch3oo  
1004 CH3OO- methylperoxy anion ch3oo-  
1005 CH3OO+ methylperoxy cation ch3oo+  
1006 C2H4O Ethylene oxide c2h4o  
1007 C2H4O+ ethylene oxide cation c2h4o+  
1008 CH2CHOH ethenol ch2choh  
1009 CH3CHO Acetaldehyde ch3cho  
1010 CH3CHO+ acetaldehyde cation ch3cho+  
1011 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1012 C2H4S Thiirane thiirane  
1013 CH2CHSH Ethenethiol ch2chsh  
1014 CH3CHS Thioacetaldehyde ch3chs  
1015 H2CONH2+ protonated formamide h2conh2+  
1016 NH2CHOH+ Formamide, O-protonated nh2choh+  
1017 NH3CHO+ Formamide, N-Protonated nh3cho+  
1018 CH2(OH)2 methanediol ch2o2h2  
1019 CH3OOH Methyl peroxide ch3ooh  
1020 CH3SSH Hydrogen methyl disulfide ch3ssh  
1021 HSCH2SH Methanedithiol ch4s2  
1022 H2OH2CO water formaldehyde dimer h2oh2co  
1023 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1024 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1025 CH3CH2O Ethoxy radical ethoxy  
1026 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1027 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1028 CH3OCH2 methoxymethyl radical ch3och2  
1029 NH2CH2OH aminomethanol nh2ch2oh  
1030 CH3CH2OH Ethanol etoh  
1031 CH3OCH3 Dimethyl ether meome  
1032 CH3CH2SH ethanethiol etsh  
1033 CH3SCH3 Dimethyl sulfide mesme  
1034 CH3SCH3+ dimethyl sulfide cation mesme+  
1035 CH3SeCH3 dimethylselenide dmse  
1036 CH3OHH2O methanol water dimer ch3ohh2o  
1037 H2OCH3OH water methanol dimer h2och3oh  
1038 CuF2 Copper difluoride cuf2  
1039 ZnF2 Zinc difluoride znf2  
1040 CNF iso cyanogen fluoride cnf  
1041 FCN Cyanogen fluoride fcn  
1042 ClCN chlorocyanogen clcn  
1043 BrCN Cyanogen bromide brcn  
1044 ICN Cyanogen iodide icn  
1045 FBO Boron monofluoride monoxide fbo  
1046 BeF2 Beryllium fluoride bef2  
1047 MgF2 Magnesium fluoride mgf2  
1048 BeCl2 Beryllium chloride becl2  
1049 MgCl2 Magnesium dichloride mgcl2  
1050 CaCl2 Calcium Chloride cacl2  
1051 ZnCl2 Zinc dichloride zncl2  
1052 BeBr2 Beryllium bromide bebr2  
1053 CaBr2 Calcium dibromide cabr2  
1054 CaF2 Calcium difluoride caf2  
1055 FCO Carbonyl fluoride fco  
1056 FCO+ Carbonyl fluoride cation fco+  
1057 ClCO carbonyl monochloride clco  
1058 BF2 Boron difluoride radical bf2  
1059 FNO Nitrosyl fluoride fno  
1060 ClNO Nitrosyl chloride clno  
1061 FNS Thionitrosyl fluoride fns  
1062 FSN Thiazyl fluoride fsn  
1063 OPCl Phosphorus oxychloride opcl  
1064 BrNO Nitrosyl bromide brno  
1065 INO Nitrosyl iodide ino  
1066 CF2 Difluoromethylene cf2  
1067 CF2- Difluoromethylene anion cf2-  
1068 CF2+ Difluoromethylene cation cf2+  
1069 CFCl chlorofluoromethylene cfcl  
1070 SiF2 Silicon difluoride sif2  
1071 SiF2+ Silicon difluoride cation sif2+  
1072 CCl2 dichloromethylene ccl2  
1073 CCl2- dichloromethylene anion ccl2-  
1074 CCl2+ dichloromethylene cation ccl2+  
1075 SiCl2 Dichlorosilylene sicl2  
1076 GeF2 Germanium difluoride gef2  
1077 GeCl2 Germanium dichloride gecl2  
1078 CBr2 dibromomethylene cbr2  
1079 FOO Dioxygen monofluoride radical foo  
1080 FOO+ Fluorine dioxide cation foo+  
1081 ClOO chloroperoxy radical cloo  
1082 ClOO+ chloroperoxy cation cloo+  
1083 OClO Chlorine dioxide oclo  
1084 OClO- Chlorine dioxide anion oclo-  
1085 OClO+ Chlorine dioxide cation oclo+  
1086 ClSO Sulfur chloride oxide clso  
1087 ClS2 Sulfur chloride cls2  
1088 BrOO Bromine dioxide broo  
1089 OBrO Bromine dioxide radical obro  
1090 NF2 Difluoroamino radical nf2  
1091 NF2+ Difluoroamino cation nf2+  
1092 PF2 Phosphorus difluoride pf2  
1093 PF2+ Phosphorus difluoride cation pf2+  
1094 FClO chlorosyl fluoride fclo  
1095 F2O Difluorine monoxide f2o  
1096 ClOF Chlorine hypofluorite clof  
1097 SF2 sulfur difluoride sf2  
1098 SF2- sulfur difluoride anion sf2-  
1099 SF2+ sulfur difluoride cation sf2+  
1100 Cl2O Dichlorine monoxide cl2o  
1101 SCl2 Sulfur dichloride scl2  
1102 SeF2 Selenium difluoride sef2  
1103 BrOCl Bromine hypochlorite brocl  
1104 SeCl2 Selenium Dichloride secl2  
1105 SBr2 Sulfur dibromide sbr2  
1106 SeBr2 Selenium dibromide sebr2  
1107 BrOBr Bromine oxide brobr  
1108 F3- trifluoride anion f3-  
1109 Cl3- trichloride anion cl3-  
1110 Br3- tribromide anion br3-  
1111 I3- triiodide i3-  
1112 SFCl Sulfur chloride fluoride sfcl  
1113 HCCF Fluoroacetylene hccf  
1114 HCCF+ fluoroacetylene cation hccf+  
1115 HCCCl Chloroacetylene hcccl  
1116 HCCBr bromoacetylene hccbr  
1117 HFCO formyl fluoride hfco  
1118 HFCO+ formyl fluoride cation hfco+  
1119 COHCl Formyl chloride cohcl  
1120 COHBr Formyl bromide cohbr  
1121 BHF2 Difluoroborane bhf2  
1122 BHCl2 Borane, dichloro- bhcl2  
1123 CHCl2 dichloromethyl radical chcl2  
1124 CHF2 difluoromethyl radical chf2  
1125 CHF2+ difluoromethyl cation chf2+  
1126 CHFCl Chlorofluoromethyl radical chfcl  
1127 CHFCl+ Chlorofluoromethyl cation chfcl+  
1128 CHCl2+ dichloromethyl cation chcl2+  
1129 CHBr2 dibromomethyl radical chbr2  
1130 HOClO Chlorous acid hoclo  
1131 NHF2 difluoramine nhf2  
1132 NHCl2 dichloroamine nhcl2  
1133 CH2F2 Methane, difluoro- ch2f2  
1134 CH2FCl fluorochloromethane ch2fcl  
1135 SiH2F2 difluorosilane sih2f2  
1136 CH2Cl2 Methylene chloride ch2cl2  
1137 CH2BrF Methane, bromofluoro- ch2fbr  
1138 CH2BrCl Methane, bromochloro- ch2clbr  
1139 CH2FI fluoroiodomethane ch2fi  
1140 CH2Br2 dibromomethane ch2br2  
1141 CH2ClI chloroiodomethane ch2cli  
1142 CH2BrI bromoiodomethane ch2bri  
1143 CH2I2 Diiodomethane ch2i2  
1144 SiH2Cl2 dichlorosilane sih2cl2  
1145 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1146 CH2CHF Ethene, fluoro- ch2chf  
1147 CH2CHF+ fluoroethene cation ch2chf+  
1148 C2H3Cl Ethene, chloro- ch2chcl  
1149 C2H3Br vinyl bromide c2h3br  
1150 C2H3I Vinyl iodide c2h3i  
1151 CH2FOH fluoromethanol ch2foh  
1152 CH3OCl methyl hypochlorite ch3ocl  
1153 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1154 CHClCH3 1-chloroethyl radical chclch3  
1155 C2H5F fluoroethane c2h5f  
1156 CH3CH2Cl Ethyl chloride c2h5cl  
1157 CH3SiFH2 fluoromethylsilane ch3sifh2  
1158 C2H5Br Ethyl bromide etbr  
1159 C2H5I Ethyl iodide c2h5i  
1160 KrF2 Krypton difluoride krf2  
1161 XeF2 Xenon difluoride xef2  
1162 B4H10 Tetraborane(10) b4h10  
1163 C4 Carbon tetramer c4  
1164 C4+ Carbon tetramer cation c4+  
1165 C4H2 Diacetylene c4h2  
1166 C4H2+ diacetlyene cation c4h2+  
1167 C2H3CCH 1-Buten-3-yne c2h3cch  
1168 C4H4 cyclobutadiene cbd  
1169 C4H4 Tetrahedrane c4h4  
1170 H2CCCCH2 Butatriene h2cccch2  
1171 C4H6 1-Methylcyclopropene c3100047  
1172 C4H6 Cyclobutene c822355  
1173 C4H6 Methylenecyclopropane c6142730  
1174 CH2CCHCH3 1,2-Butadiene butad12  
1175 CH2CHCHCH2 1,3-Butadiene c106990  
1176 CH3CCCH3 2-Butyne c503173  
1177 CHCCH2CH3 1-Butyne c107006  
1178 CH3CHCHCH2 methylallyl radical c4h7  
1179 C4H8 methylcyclopropane mcp  
1180 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1181 CH2CHCH2CH3 1-Butene bute1  
1182 CH3CHCHCH3 2-Butene, (E)- bute2e  
1183 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1184 B(CH3)3 trimethylborane bme3  
1185 Al(CH3)3 trimethyl aluminum tma  
1186 C(CH3)3 Tert-butyl radical tbutyl  
1187 CH2CH(CH3)2 Isobutyl radical isobutyl  
1188 CH3CHCH2CH3 2-Butyl radical butyl2  
1189 CH3CH(CH3)CH3 Isobutane isobutane  
1190 CH3CH2CH2CH3 Butane butane  
1191 SiH(CH3)3 trimethylsilane trimsi  
1192 Li3N trilithium nitride li3n  
1193 C2N2 Cyanogen c2n2  
1194 C2N2+ Cyanogen cation c2n2+  
1195 P4 Phosphorus tetramer p4  
1196 As4 Arsenic tetramer as4  
1197 HCCCN Cyanoacetylene hcccn  
1198 HCCCN+ Cyanoacetylene cation hcccn+  
1199 H2CNCN cyanamide, methylene ch2ncn  
1200 HNCCNH Ethenediimine hnccnh  
1201 C3H3N acrylonitrile ch2chcn  
1202 C3H3N+ acrylonitrile cation ch2chcn+  
1203 CH3N3 methyl azide ch3n3  
1204 NH2CCNH2 Diaminoacetylene daa  
1205 NH2CH2CN Aminoacetonitrile aan  
1206 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1207 C2H5CN ethyl cyanide c2h5cn  
1208 CH5N3 Guanidine guanidine  
1209 C4H6 Bicyclo[1.1.0]butane c157335  
1210 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1211 H2NCHCHNH2 diaminoethylene dae  
1212 CH6N3+ guanidinium ch6n3+  
1213 C3H7N Cyclopropylamine cpram  
1214 CH7N3 triaminomethane tam  
1215 C3H7N Azetidine azet  
1216 C4H8 cyclobutane cbutane  
1217 C2H8N2 Ethylenediamine ethdiam  
1218 CH3NHNHCH3 dimethyl hydrazine dmh  
1219 CH3CH(NH2)CH3 2-Propanamine pram2  
1220 N(CH3)3 Trimethylamine trimeam  
1221 NH2CH2CH2CH3 1-Propanamine pram1  
1222 P(CH3)3 trimethylphosphine tmp  
1223 N(SiH3)3 trisilylamine tsa  
1224 As(CH3)3 trimethyl arsine tmas  
1225 (CH3)3NH+ protonated trimethyl amine ptma  
1226 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1227 Li2O2 dilithium dioxide li2o2  
1228 Na2O2 disodium dioxide na2o2  
1229 K2O2 dipotassium dioxide k2o2  
1230 C3O Tricarbon monoxide c3o  
1231 B2O2 Diboron dioxide b2o2  
1232 ONNO NO dimer onno  
1233 S2N2 Disulfur dinitride s2n2  
1234 CO3 Carbon trioxide co3  
1235 CO3-- carbonate co3--  
1236 CS3-- Carbonotrithioate cs3--  
1237 NO3 Nitrogen trioxide no3  
1238 NO3- nitrate anion no3-  
1239 NO3+ nitrogen trioxide cation no3+  
1240 SO3 Sulfur trioxide so3  
1241 SO3- Sulfur trioxide anion so3-  
1242 SO3-- Sulfate dianion so3--  
1243 SO3+ Sulfur trioxide cation so3+  
1244 SeO3 selenium trioxide seo3  
1245 S4 Sulfur tetramer s4  
1246 TeO3 Tellurium trioxide teo3  
1247 HCO3- bicarbonate anion hco3-  
1248 HNO3 Nitric acid hno3  
1249 HSO3 Hydroxysulfonyl radical hso3  
1250 NH2NO2 nitramide nh2no2  
1251 C2H2CO cyclopropenone c2h2co  
1252 C3H2O Propadienal c3h2o  
1253 HCCCHO 2-propynal hcccho  
1254 C2H2O2 Ethanedial c2h2o2  
1255 C2H2O2+ Ethanedial cation c2h2o2+  
1256 H2CO3 Carbonic acid h2co3  
1257 H2CS3 thiocarbonic acid h2cs3  
1258 H2NO3+ Nitric Acid, Protonated h2no3+  
1259 H2SO3 Sulfurous acid h2so3  
1260 C2H3NO Nitrosoethylene c2h3no  
1261 CH3NCO methylisocyante ch3nco  
1262 HOCH2CN cyanomethanol hoch2cn  
1263 CH3COO- acetate anion ch3coo-  
1264 CH3NO2 Methane, nitro- ch3no2  
1265 CH3ONO Methyl nitrite ch3ono  
1266 NH2COOH Carbamic acid nh2cooh  
1267 H3BO3 Boric acid h3bo3  
1268 H3AlO3 Aluminum hydroxide h3alo3  
1269 H3CO3+ carbonic acid, protonated h3co3+  
1270 C3H4O 2-Propyn-1-ol c107197  
1271 C3H4O allenol c9000071  
1272 C3H4O Cyclopropanone cpone  
1273 C3H4O Methylketene c6004440  
1274 CH2CHCHO Acrolein c3h4o  
1275 NH2CONH2 Urea urea  
1276 NH2CONH2+ Urea cation urea+  
1277 NH2CSNH2 Thiourea thiourea  
1278 C2H4O2 1,3-dioxetane c2h4o2  
1279 CH3COOH Acetic acid ch3cooh  
1280 CH3OCHO methyl formate ch3ocho  
1281 CHOCH2OH hydroxy acetaldehyde haa  
1282 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1283 NH3COOH+ protonated Carbamic acid nh3cooh+  
1284 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1285 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1286 HCOOHH2O Formic acid water dimer hcoohh2o  
1287 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1288 CH3COCH2 Acetonyl radical ch3coch2  
1289 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1290 CH3C(OH)=NH Ethaninidic acid eia  
1291 CH3CHNOH Acetaldoxime acetaldoxime  
1292 CH3CONH2 Acetamide acetamide  
1293 HCONHCH3 N-methylformamide nmfa  
1294 CH3CSNH2 Ethanethioamide ch3csnh2  
1295 CH5N2O+ urea, N-protonated ch4n2o+  
1296 H2NCOHNH2+ urea, protonated ureah+  
1297 C2H5OO ethylperoxy radical c2h5oo  
1298 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1299 C3H5OH Cyclopropanol cproh  
1300 C3H6O 2-Propen-1-ol c107186  
1301 C3H6O Acetone enol enol  
1302 C3H6O Oxetane oxetane  
1303 C3H6O Propylene oxide prox  
1304 CH3CH2CHO Propanal propanal  
1305 CH3COCH3 Acetone acetone  
1306 CH3COCH3- acetone anion ch3coch3-  
1307 C3H6S Thietane thietane  
1308 C3H6S Thiirane, methyl- methiirane  
1309 CH3CSCH3 Thioacetone ch3csch3  
1310 C2H6O2 1,2-Ethanediol ethdiol  
1311 CH3OOCH3 dimethylperoxide dmp  
1312 CH3SOCH3 Dimethyl sulfoxide dmso  
1313 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1314 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1315 CH3COHCH3+ acetone, protonated acetoneh+  
1316 HOCH2CH2NH2 monoethanolamine mea  
1317 C3H7OH 1-Propanol proh  
1318 CH3CHOHCH3 Isopropyl alcohol isoproh  
1319 CH3OC2H5 Ethane, methoxy- etome  
1320 C3H7SH 1-Propanethiol prsh  
1321 CH3CHSHCH3 2-Propanethiol isoprsh  
1322 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1323 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1324 Li2F2 Lithium fluoride dimer li2f2  
1325 Na2F2 Sodium Fluoride Dimer na2f2  
1326 Na2Cl2 Disodium dichloride na2cl2  
1327 C2F2 difluoroacetylene c2f2  
1328 C2Cl2 dichloroacetylene c2cl2  
1329 C2Cl2+ dichloroacetylene cation c2cl2+  
1330 FNO2 Nitryl fluoride fno2  
1331 FONO Nitrosyl hypofluorite fono  
1332 ClNO2 Nitryl chloride clno2  
1333 ClONO chlorine nitrite clono  
1334 BrONO Bromine nitrite brono  
1335 N2F2 (Z)-Difluorodiazene n2f2_z  
1336 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1337 CF2O Carbonic difluoride f2co  
1338 CF2O+ Carbonic difluoride cation f2co+  
1339 COFCl Carbonic chloride fluoride cofcl  
1340 CCl2O Phosgene cl2co  
1341 Cl2CS Thiophosgene cl2cs  
1342 COBr2 Carbonic dibromide cobr2  
1343 BF3- Borane, trifluoro- anion bf3-  
1344 BF3+ boron trifluoride cation bf3+  
1345 BClF2 Chlorodifluoroborane bclf2  
1346 AlF2Cl Aluminum chloride difluoride alclf2  
1347 ScF3 Scandium trifluoride ScF3  
1348 AlFCl2 Aluminum dichloride fluoride alcl2f  
1349 BCl3 Borane, trichloro- bcl3  
1350 BCl3+ Boron Trichloride cation bcl3+  
1351 GaF3 Gallium trifluoride gaf3  
1352 AlCl3 Aluminum trichloride alcl3  
1353 GaCl3 Gallium trichloride gacl3  
1354 BBr3 Boron tribromide bbr3  
1355 AlBr3 Aluminum Bromide albr3  
1356 ClO3 Chlorine trioxide clo3  
1357 ClO3- chlorate anion clo3-  
1358 BrO3- Bromate anion bro3-  
1359 CF3 Trifluoromethyl radical cf3  
1360 CF3- Trifluoromethyl anion cf3-  
1361 CF3+ Trifluoromethyl cation cf3+  
1362 CF2Cl difluorochloromethyl radical cf2cl  
1363 SiF3 Silicon trifluoride radical sif3  
1364 SiF3+ Silicon trifluoride cation sif3+  
1365 CFCl2 dichlorofluoromethyl radical cfcl2  
1366 CCl3 Trichloromethyl radical ccl3  
1367 CCl3- Trichloromethyl anion ccl3-  
1368 CCl3+ Trichloromethyl cation ccl3+  
1369 SiCl3 trichlorosilyl radical sicl3  
1370 SiCl3+ trichlorosilyl cation sicl3+  
1371 CBr3 tribromomethyl radical cbr3  
1372 FOOF Perfluoroperoxide foof  
1373 ClO2F Chloryl fluoride clo2f  
1374 F2SO Thionyl Fluoride f2so  
1375 ClOOCl Dichlorine dioxide cloocl  
1376 FSSF Difluorodisulfane fssf  
1377 S2F2 Thio-thionyl fluoride s2f2  
1378 SOCl2 thionyl chloride socl2  
1379 SSCl2 Thiothionyl chloride sscl2  
1380 SeOCl2 selenium oxychloride seocl2  
1381 NF3 Nitrogen trifluoride nf3  
1382 NF3- Nitrogen trifluoride anion nf3-  
1383 NF3+ Nitrogen trifluoride cation nf3+  
1384 PF3 Phosphorus trifluoride pf3  
1385 NCl3 nitrogen trichloride ncl3  
1386 AsF3 Arsenic trifluoride asf3  
1387 PCl3 Phosphorus trichloride pcl3  
1388 SbF3 Antimony Trifluoride sbf3  
1389 AsCl3 Arsenous trichloride ascl3  
1390 SbCl3 Antimony Trichloride sbcl3  
1391 NBr3 Nitrogen Tribromide nbr3  
1392 PBr3 Phosphorus tribromide pbr3  
1393 AsBr3 Arsenic tribromide asbr3  
1394 NI3 Nitrogen triiodide ni3  
1395 PI3 Phosphorus triiodide pi3  
1396 ClSSCl Disulfur dichloride s2cl2  
1397 SF3 Sulfur trifluoride sf3  
1398 ClF3 Chlorine trifluoride clf3  
1399 BrF3 Bromine trifluoride brf3  
1400 IF3 iodone trifluoride if3  
1401 HClO3 Chloric Acid hclo3  
1402 CHF3 Methane, trifluoro- chf3  
1403 CHF2Cl difluorochloromethane chf2cl  
1404 SiHF3 trifluorosilane sihf3  
1405 CHFCl2 fluorodichloromethane chfcl2  
1406 CDCl3 trichloromethane-d cdcl3  
1407 CHCl3 Chloroform chcl3  
1408 CHBrF2 Methane, bromodifluoro- chbrf2  
1409 SiHCl3 Trichlorosilane sihcl3  
1410 CHFClBr fluorochlorobromomethane chfclbr  
1411 CHBrCl2 Methane, bromodichloro- chbrcl2  
1412 CHF2I difluoroiodomethane chf2i  
1413 CHBr2F dibromofluoromethane chbr2f  
1414 CHFClI fluorochloroiodomethane chfcli  
1415 CHCl2I dichloroiodomethane chcl2i  
1416 CHClBr2 Methane, dibromochloro- chclbr2  
1417 CHBr3 bromoform chbr3  
1418 CHI3 Iodoform chi3  
1419 NF3H+ protonated nitrogen trifluoride nf3h+  
1420 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1421 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1422 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1423 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1424 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1425 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1426 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1427 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1428 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1429 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1430 C2H2Br2 1,1-dibromoethene c2h2br2  
1431 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1432 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1433 CH2FCHO Fluoroacetaldehyde ch2fcho  
1434 CH3COF Acetyl fluoride ch3cof  
1435 CH2ClCHO chloroacetaldehyde ch2clcho  
1436 CH3COCl Acetyl Chloride ch3cocl  
1437 C2H4F2 1,2-difluoroethane c2h4f2  
1438 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1439 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1440 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1441 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1442 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1443 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1444 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1445 CH2CFCH3 2-fluoropropene 2fpro  
1446 CH2CHCH2F Allyl Fluoride allylf  
1447 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1448 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1449 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1450 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1451 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1452 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1453 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1454 CH2FCH2CH3 1-Fluoropropane prf1  
1455 CH3CHFCH3 2-Fluoropropane prf2  
1456 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1457 CH3CHClCH3 Propane, 2-chloro- prcl2  
1458 CH3CH2CH2Br n-propyl bromide prbr  
1459 CH3CHBrCH3 i-propyl bromide iprbr  
1460 C3H9O+ trimethyl oxonium cation c3h9o+  
1461 B5H9 pentaborane9 b5h9  
1462 C5H4 pentatetraene ptrene  
1463 C5H5 cyclopentadienyl radical c5h5  
1464 C5H5- cylopentadienyl anion c5h5-  
1465 C5H6 1,3-Cyclopentadiene c542927  
1466 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1467 C5H6 3-Penten-1-yne, (E)- c2004695  
1468 C5H6 3-Penten-1-yne, (Z)- c1574409  
1469 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1470 C5H6 Cyclopropylacetylene c6746947  
1471 C5H6 Propellane propellane  
1472 C5H7 1,3-pentadienyl radical pdyl  
1473 C5H7 cyclopentenyl radical cpyl  
1474 C5H8 1,2-Butadiene, 3-methyl- c598254  
1475 C5H8 1,2-Pentadiene c591957  
1476 C5H8 1,3-Butadiene, 2-methyl- c78795  
1477 C5H8 1,3-Pentadiene, (E)- c2004708  
1478 C5H8 1,3-Pentadiene, (Z)- c1574410  
1479 C5H8 1,4-Pentadiene c591935  
1480 C5H8 1-pentyne a1pentyne  
1481 C5H8 2,3-Pentadiene c591968  
1482 C5H8 Bicyclo[1.1.1]pentane bcp  
1483 C5H8 Cyclobutane, methylene- c1120565  
1484 C5H8 Cyclopentene c142290  
1485 C5H8 Ethenylcyclopropane c693867  
1486 CH3CCCH2CH3 2-Pentyne 2pentyne  
1487 C5H10 1-Butene, 2-methyl- c563462  
1488 C5H10 2-Butene, 2-methyl- c513359  
1489 C5H10 2-Pentene, (E)- c646048  
1490 C5H10 2-Pentene, (Z)- c627203  
1491 C5H10 Cyclopentane c287923  
1492 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1493 CH2CHCH2CH2CH3 1-pentene pentene  
1494 C5H11 2-Methylbut-2-yl radical c4348350  
1495 C5H12 Butane, 2-methyl- buta2  
1496 C5H12 Pentane pentane  
1497 C5H12 Propane, 2,2-dimethyl- neopentane  
1498 Si(CH3)4 tetramethylsilane tms  
1499 N2O3 Dinitrogen trioxide n2o3  
1500 C3H2N2 Malononitrile c3h2n2  
1501 CH2N4 1H-Tetrazole 1htz  
1502 C3H3N2 imidazolyl radical im  
1503 C3H3N2- imidizolyl anion im-  
1504 C2H3N3 1H-1,2,4-Triazole c288880  
1505 C4H4N pyrrolide radical c4h4n  
1506 C4H4N- pyrrolide anion c4h4n-  
1507 C3H4N2 1H-Imidazole 1himidaz  
1508 C3H4N2 1H-Pyrazole 1hpyraz  
1509 C3H4N2 2H-Imidazole imid2h  
1510 C3H4N2 4H-Imidazole imid4h  
1511 C4H5N (E)-2-Butenenitrile c627269  
1512 C4H5N (Z)-2-Butenenitrile c1190767  
1513 C4H5N 2H-pyrrole pyrrole2  
1514 C4H5N 3H-pyrrole pyrrole3  
1515 C4H5N Cyclopropanecarbonitrile c5500210  
1516 C4H5N Pyrrole pyrrole  
1517 CH2CHCH2CN Allylcyanide ch2chch2cn  
1518 C4H6N+ pyrrole, alpha-protonated appyr  
1519 C4H6N+ pyrrole, beta-protonated bppyr  
1520 C4H6N+ pyrrole, protonated ppyr  
1521 C3H6N2 3-Aminopropionitrile c151188  
1522 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1523 CH3CH2CH2CN Butanenitrile c109740  
1524 C5H8 Bicyclo[2.1.0]pentane c185944  
1525 C5H8 Spiropentane c157404  
1526 C4H9N Cyclobutylamine cbam  
1527 C4H9N Pyrrolidine pyrrolidine  
1528 C3H10N2 1,2-Diaminopropane diampr12  
1529 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1530 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1531 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1532 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1533 NH(C2H5)2 diethylamine dea  
1534 NC4H12+ tetramethyl ammonium cation nc4h12+  
1535 C3O2 Carbon suboxide c3o2  
1536 C3O2+ Carbon suboxide cation c3o2+  
1537 B2O3 diboron trioxide b2o3  
1538 MgCO3 Magnesium Carbonate mgco3  
1539 BeCO3 Beryllium Carbonate beco3  
1540 CaCO3 Calcium Carbonate caco3  
1541 ONONO Nitrosyl nitrite onono  
1542 PO4--- phosphate po4---  
1543 SO4-- sulfate so4--  
1544 HOONO2 peroxy nitric acid hoono2  
1545 HSO4- bisulfate anion hso4-  
1546 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1547 C3H2O2 Propiolic acid c3h2o2  
1548 CHOCOOH oxo acetic acid oaa  
1549 CHOOCHO diformyl ether choocho  
1550 H2SO4 Sulfuric acid h2so4  
1551 H2SeO4 Selenic acid h2seo4  
1552 C3H3NO Isoxazole isox  
1553 C3H3NO Oxazole oxazole  
1554 C3H3NS Thiazole thiazole  
1555 CH3C(O)OO acetyl peroxy radical ch3coo2  
1556 CH3NO3 Methyl nitrate ch3no3  
1557 H3PO4 Phosphoric Acid h3po4  
1558 C4H4O Furan furan  
1559 C4H4O+ Furan cation furan+  
1560 CH3COCCH 3-butyn-2-one c1423605  
1561 C4H4S Thiophene furans  
1562 C4H4Se selenophene c4h4se  
1563 C3H4O2 β–Propiolactone beta  
1564 C3H4O2 2-Propenoic acid propenoic2  
1565 C3H4O2 Methyl glyoxal megly  
1566 C3H4O2 propanedial propanedial  
1567 C3H4O2 propenalol propenalol  
1568 HOCHCCHOH allenediol aldiol  
1569 C2H4O3 1,2,3-trioxolane c2h4o3  
1570 C2H4O3 trioxolane124 triox  
1571 HOCH2COOH Hydroxyacetic acid hac  
1572 CH2CHCONH2 Acrylamide c79061  
1573 CH3OCH2CN Methoxyacetonitrile c1738369  
1574 CH5N3S Hydrazinecarbothioamide c79196  
1575 H2NCH2COOH Glycine glycine  
1576 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1577 C4H6O cis-2-butenal butenal2c  
1578 C4H6O Cyclobutanone cbutone  
1579 C4H6O Furan, 2,3-dihydro- furan23h  
1580 C4H6O Furan, 2,5-dihydro- furan25h  
1581 CH2CHOCHCH2 Vinyl ether vinylether  
1582 CHOCHCHCH3 2-Butenal butenal2  
1583 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1584 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1585 CH2CHSCHCH2 Divinyl sulfide divis  
1586 C2H6N2O Urea, methyl- c598505  
1587 C3H6O2 1,3-Dioxolane dioxolane  
1588 CH3CH2COOH Propanoic Acid propanoic  
1589 CH3COOCH3 methyl acetate aame  
1590 HCOOC2H5 Ethyl formate faee  
1591 C2H6O2S Dimethyl sulfone c67710  
1592 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1593 C3H7NO dimethylformamide dmf  
1594 C3H7NO Propanamide propanam  
1595 C2H3OC2H5 Ethene, ethoxy- c109922  
1596 C4H8O Cyclobutanol c2919235  
1597 C4H8O Furan, tetrahydro- thf  
1598 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1599 CH3COCH2CH3 2-Butanone buta2one  
1600 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1601 CHOCH2CH2CH3 Butanal butanal  
1602 C4H8S Thiophene, tetrahydro- tht  
1603 C3H8O2 1,3-Propanediol c504632  
1604 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1605 C3H8O2 Methane, dimethoxy- c109875  
1606 C3H8O2 Propylene glycol c57556  
1607 C3H8S2 1,3-Propanedithiol c109808  
1608 C4H10O 1-Butanol butanol1  
1609 C4H10O 1-Propanol, 2-methyl- c78831  
1610 C4H10O 2-Butanol, (.+/-.)- butanol2  
1611 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1612 C4H10O Ethoxy ethane etoet  
1613 C4H10O Methyl propyl ether meopr  
1614 C4H10O Propane, 2-methoxy- c598538  
1615 C4H10O+ 1-Butanol cation butanol1+  
1616 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1617 C2H5SC2H5 Diethyl sulfide etset  
1618 C4H9SH 1-Butanethiol bush  
1619 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1620 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1621 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1622 FNO3 Fluorine nitrate fno3  
1623 ClONO2 Chlorine nitrate clono2  
1624 BrONO2 Bromine nitrate brono2  
1625 TiCl4 Titanium tetrachloride ticl4  
1626 ClO4- perchlorate anion clo4-  
1627 BF4- tetrafluoroboron anion bf4-  
1628 ClFO3 Perchloryl fluoride clfo3  
1629 SO2F2 Sulfuryl fluoride so2f2  
1630 SO2Cl2 Sulfuryl chloride so2cl2  
1631 F3NO Nitrogen trifluoride oxide f3no  
1632 F3PO Phosphoryl fluoride pf3o  
1633 Cl3PO Phosphoryl chloride pcl3o  
1634 CF4 Carbon tetrafluoride cf4  
1635 CF3Cl Methane, chlorotrifluoro- cf3cl  
1636 SiF4 Silicon tetrafluoride sif4  
1637 CF2Cl2 difluorodichloromethane cf2cl2  
1638 TiF4 Titanium tetrafluoride tif4  
1639 CFCl3 Trichloromonofluoromethane cfcl3  
1640 CF3Br Bromotrifluoromethane cf3br  
1641 GeF4 Germanium tetrafluoride gef4  
1642 CCl4 Carbon tetrachloride ccl4  
1643 CCl4+ Carbon tetrachloride cation ccl4+  
1644 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1645 SiCl4 Silane, tetrachloro- sicl4  
1646 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1647 CF3I trifluoroiodomethane cf3i  
1648 CBrCl3 Methane, bromotrichloro- cbrcl3  
1649 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1650 GeCl4 Germanium Tetrachloride gecl4  
1651 CBr2ClF dibromochlorofluoromethane cbr2clf  
1652 CBr2Cl2 dibromodichloromethane cbr2cl2  
1653 CCl3I trichloroiodomethane ccl3i  
1654 CFBr3 fluorotribromomethane cfbr3  
1655 CFClBrI fluorochlorobromoiodomethane cfclbri  
1656 CBr3Cl tribromochloromethane cbr3cl  
1657 CF2I2 difluorodiiodomethane cf2i2  
1658 CBr4 Carbon tetrabromide cbr4  
1659 CCl2I2 dichlorodiiodomethane ccl2i2  
1660 SiBr4 Silicon tetrabromide sibr4  
1661 CBr3I tribromoiododmethane cbr3i  
1662 GeBr4 Germanium tetrabromide gebr4  
1663 CI4 tetraiodomethane ci4  
1664 SiI4 silicon tetraiodide sii4  
1665 ClOF3 Chlorine trifluoride oxide clof3  
1666 SF4 Sulfur tetrafluoride sf4  
1667 SeF4 Selenium tetrafluoride sef4  
1668 SCl4 Sulfur tetrachloride scl4  
1669 C2HF3 Trifluoroethylene c2hf3  
1670 C2HF3+ Trifluoroethylene cation c2hf3+  
1671 CHClCCl2 Trichloroethylene chclccl2  
1672 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1673 HClO4 perchloric acid hclo4  
1674 HSO3F Fluorosulfonic acid hso3f  
1675 CF3OH trifluoromethanol cf3oh  
1676 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1677 CHClCCHCl 1,3-dichloroallene chclcchcl  
1678 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1679 CHCl2CHO dichloroacetaldehyde chcl2cho  
1680 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1681 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1682 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1683 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1684 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1685 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1686 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1687 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1688 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1689 NH3BCl3 Amminetrichloroboron nh3bcl3  
1690 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1691 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1692 C3H5ClO Oxirane, (chloromethyl)- c106898  
1693 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1694 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1695 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1696 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1697 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1698 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1699 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1700 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1701 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1702 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1703 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1704 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1705 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1706 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1707 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1708 C4H9F 1-fluorobutane butaf1  
1709 CH3CHFCH2CH3 2-fluorobutane butaf2  
1710 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1711 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1712 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1713 XeF4 Xenon tetrafluoride xef4  
1714 C2H2N2O Furazan furazan  
1715 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1716 NH3BF3 Amminetrifluoroboron nh3bf3  
1717 C6H2 hexatriyne c6h2  
1718 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1719 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1720 C6H4 Benzyne benzyne  
1721 C6H5 phenyl phenyl  
1722 C6H5- phenyl anion phenyl-  
1723 C6H6 Prismane prismane  
1724 C6H6 1,2,4,5-Hexatetraene ht1245  
1725 C6H6 2,4-Hexadiyne hexadiyne  
1726 C6H6 3,4-Dimethylenecyclobutene cb34m  
1727 C6H6 Benzene benzene  
1728 C6H6 Benzvalene bv  
1729 C6H6 Dewar Benzene dewar  
1730 C6H6 Hexa-1,5-diene-3-yne hdy153  
1731 C6H6 Trimethylenecycopropane tmcp  
1732 C6H6+ Benzene cation c6h6+  
1733 C6H7+ benzene, protonated c6h7+  
1734 C6H8 (E)-hexa-1,3,5-triene c821078  
1735 C6H8 (E)-hexa-2,3,4-triene c59660650  
1736 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1737 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1738 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1739 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1740 C6H8 3-Methylenecyclopentene c930267  
1741 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1742 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1743 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1744 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1745 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1746 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1747 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1748 C6H10 1,5-Hexadiene c592427  
1749 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1750 C6H10 1-Hexyne hexyne1  
1751 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1752 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1753 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1754 C6H10 2-Hexyne c764352  
1755 C6H10 3-Hexyne hexyne3  
1756 C6H10 cyclohexene cyclohexene  
1757 C6H10 Cyclopentene, 1-methyl- c693890  
1758 C6H10 Cyclopentene, 3-methyl- c1120623  
1759 C6H10 Cyclopentene, 4-methyl- c1759815  
1760 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1761 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1762 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1763 C6H12 (E)-2-Hexene e2hexene  
1764 C6H12 (E)-3-methylpent-2-ene c616126  
1765 C6H12 (E)-hex-3-ene e3hexene  
1766 C6H12 (Z)-3-methylpent-2-ene c922623  
1767 C6H12 (Z)-hex-2-ene z2hexene  
1768 C6H12 (Z)-hex-3-ene z3hexene  
1769 C6H12 2,3-dimethylbut-1-ene c563780  
1770 C6H12 2,3-dimethyl-but-2-ene tmeet  
1771 C6H12 3-methylenepentane c760214  
1772 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1773 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1774 C6H12 Cyclohexane cyclohexane  
1775 C6H12 Cyclopentane, methyl- c96377  
1776 C6H12 Ethylcyclobutane c4806615  
1777 C6H12 hex-1-ene hexene1  
1778 C6H14 Butane, 2,2-dimethyl- buta22  
1779 C6H14 Butane, 2,3-dimethyl- buta23  
1780 C6H14 Hexane hexane  
1781 C6H14 Pentane, 2-methyl- penta2  
1782 C6H14 Pentane, 3-methyl- penta3  
1783 C4N2 2-Butynedinitrile c4n2  
1784 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1785 C4H2N2 Fumaronitrile c4h2n2  
1786 C2H2N4 sym-tetrazine ttz  
1787 C3H3N3 1,3,5-Triazine triazine135  
1788 CH3N5 5-Aminotetrazole c4418615  
1789 C4H4N2 1,3-Diazine diazine13  
1790 C4H4N2 Pyrazine pyrazine  
1791 C4H4N2 Pyridazine pyridazine  
1792 C4H4N2 Succinonitrile c110612  
1793 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1794 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1795 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1796 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1797 C5H5N E-2,4-pentadienenitrile bdcn  
1798 C5H5N Pyridine pyridine  
1799 B3N3H6 borazine borazine  
1800 C6H6 Fulvene fulvene  
1801 C5H6N+ Pyridinium c5h6n  
1802 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1803 C5H7N (E)-2-Pentenenitrile c26294984  
1804 C5H7N (E)-3-Pentenenitrile c16529661  
1805 C5H7N (Z)-2-Pentenenitrile c25899507  
1806 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1807 C5H7N Cyclobutanecarbonitrile c4426113  
1808 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1809 C5H9N Butanenitrile, 2-methyl- c18936179  
1810 C5H9N Pentanenitrile c110598  
1811 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1812 C6H10 Bicyclo[3.1.0]hexane c285585  
1813 C5H11N Cyclopentanamine cypentam  
1814 C5H11N Piperidine piper  
1815 C4H12N2 1,2-Butanediamine c4426486  
1816 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1817 Li2CO3 Lithium Carbonate li2co3  
1818 Na2CO3 Sodium Carbonate na2co3  
1819 C2O4-- oxalate anion c2o4  
1820 MgSO4 Magnesium Sulfate mgso4  
1821 N2O4 Dinitrogen tetroxide n2o4  
1822 C3H2O3 vinylene carbonate vica  
1823 C2H2O4 Oxalic Acid oxalic  
1824 C2H3NO3 Oxamic acid oxamic  
1825 C4H4O2 2(5H)-Furanone furanone  
1826 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1827 C2H4N2O2 Oxalamide oxalamide  
1828 C2H4N2S2 Ethanedithioamide c79403  
1829 C2H4CO3 Ethylene carbonate etco3  
1830 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1831 C3H4S3 1,3-Dithiolane-2-thione c822388  
1832 C2H4O4 Formic acid dimer fadimer  
1833 C4H5NO 3-Methylisoxazole isox3m  
1834 C4H5NO Isoxazole, 5-methyl- c5765446  
1835 C4H5NS 4-Methylthiazole c693958  
1836 C2H5NO3 Nitric acid, ethyl ester c625581  
1837 C5H6O 2H-Pyran pyran2  
1838 C5H6O 2-methylfuran furan2m  
1839 C5H6O 3-Methylfuran furan3m  
1840 C5H6O Pentadienal pdal  
1841 C5H6S Thiophene, 2-methyl- c554143  
1842 C5H6S Thiophene, 3-methyl- c616444  
1843 C4H6O2 γ–Butyrolactone c96480  
1844 C4H6O2 2,3-Butanedione c431038  
1845 C4H6O2 2-Propenoic acid, methyl ester c96333  
1846 C4H6O2 Crotonic Acid crot  
1847 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1848 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1849 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1850 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1851 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1852 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1853 C4H6OS Vinyl sulfoxide c1115157  
1854 CH6N4S Carbonothioic dihydrazide thiacarb  
1855 C2H6N2O2 (E)-Azodioxymethane c37765154  
1856 C2H6N2O2 Dimethylnitroamine c4164287  
1857 C3H6O3 1,3,5-Trioxane trioxane  
1858 C3H6S3 1,3,5-Trithiane c3h6s3  
1859 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1860 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1861 C4H7NO 2-Pyrrolidinone c616455  
1862 C4H7NO Ethoxyacetonitrile etoaccn  
1863 C4H7NO Methacrylamide c79390  
1864 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1865 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1866 C3H7ONO Propyl nitrite prono  
1867 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1868 CH3CH(NH2)COOH Alanine alanine  
1869 CH3NHCH2COOH Sarcosine sarcosine  
1870 NH2CH2CH2COOH β–alanine betaalanine  
1871 NH2COOC2H5 Urethane urethane  
1872 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1873 C5H8O Cyclopentanone c120923  
1874 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1875 C5H8O Methyl cyclopropyl ketone c765435  
1876 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1877 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1878 NH2CONHC2H5 Urea, ethyl- c625525  
1879 C4H8O2 1,3-Dioxane dioxan13  
1880 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1881 C4H8O2 1,4-Dioxane dioxan14  
1882 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1883 C4H8O2 Ethyl acetate c141786  
1884 C4H8OS s-Ethyl thioacetate c625605  
1885 C3H8O3 1,2,3-Propanetriol glycerin  
1886 C3H8O2S (Methylsulfonyl)ethane c594434  
1887 C4H9NO Butanamide c541355  
1888 C4H9NO Propanamide, 2-methyl- c563837  
1889 C5H10O 2-Butanone, 3-methyl- c563804  
1890 C5H10O 2H-Pyran, tetrahydro- c142687  
1891 C5H10O 2-methylbutyraldehyde 2meba  
1892 C5H10O 2-Pentanone mpk  
1893 C5H10O 3-Pentanone dek  
1894 C5H10O Cyclopentanol c96413  
1895 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1896 C5H10O Pentanal pal  
1897 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1898 C5H10S 3-Ethylthio-1-propene c5296628  
1899 C5H10S Cyclopentanethiol c1679078  
1900 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1901 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1902 C4H10O2 1,1-Dimethoxyethane c534156  
1903 C4H10O2 1,3-Butanediol budiol13  
1904 C4H10O2 1,4-Butanediol budiol14  
1905 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1906 C4H10OS Diethyl sulfoxide c70291  
1907 C4H10S2 1,4-Butanedithiol budisl14  
1908 C4H11NO Diethylhydroxylamine c3710847  
1909 C5H12O 1-Butanol, 2-methyl- c137326  
1910 C5H12O 1-Butanol, 3-methyl- c123513  
1911 C5H12O 1-Pentanol pentanol1  
1912 C5H12O 2-Butanol, 3-methyl- c598754  
1913 C5H12O 2-Pentanol peol2  
1914 C5H12O 3-Pentanol pentan3ol  
1915 C5H12O Butane, 1-methoxy- meobu  
1916 C5H12O Propane, 1-ethoxy- proet  
1917 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1918 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1919 C5H12S 1-Butanethiol, 3-methyl- c541311  
1920 C5H12S 1-Pentanethiol c110667  
1921 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1922 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1923 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1924 C5H12S Butane, 1-(methylthio)- c628295  
1925 C5H12S Ethyl propyl sulfide c4110503  
1926 C5H12S Propane, 2-(ethylthio)- c5145993  
1927 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1928 C4F2 difluorobutadiyne c4f2  
1929 ClCOClCO Oxalyl chloride oxcl  
1930 CF3CN Acetonitrile, trifluoro- cf3cn  
1931 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1932 B2F4 Diboron tetrafluoride b2f4  
1933 B2Cl4 Diboron tetrachloride b2cl4  
1934 C2F4 Tetrafluoroethylene c2f4  
1935 C2F4+ Tetrafluoroethylene cation c2f4+  
1936 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1937 CF2CCl2 difluorodichloroethylene cf2ccl2  
1938 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1939 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1940 C2FCl3 fluorotrichloroethene c2fcl3  
1941 C2Cl4 Tetrachloroethylene c2cl4  
1942 C2Br4 tetrabromoethene c2br4  
1943 CF3OF Trifluoromethylhypofluorite cf3of  
1944 SiF5- silicon pentafluoride anion sif5-  
1945 SOF4 Sulfur tetrafluoride oxide sof4  
1946 PF5 Phosphorus pentafluoride pf5  
1947 AsF5 Arsenic pentafluoride asf5  
1948 PCl5 Phosphorus pentachloride pcl5  
1949 SF5 Sulfur pentafluoride sf5  
1950 SF5+ pentafluoro sulfur cation sf5+  
1951 SbCl5 Antimony pentachloride sbcl5  
1952 BrF5 bromine pentafluoride brf5  
1953 ClF5 chlorinepentafluoride clf5  
1954 IF5 pentafluoroiodine if5  
1955 CF3CHO trifluoroacetaldehyde cf3cho  
1956 CCl3CHO trichloroacetaldehyde ccl3cho  
1957 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1958 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1959 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1960 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1961 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1962 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1963 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1964 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1965 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1966 CF3COOH trifluoroacetic acid cf3cooh  
1967 C4H3ClO Furan, 2-chloro fur2cl  
1968 C4H3ClO Furan,3-chloro fur3cl  
1969 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1970 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1971 C4H8Cl2 1,4-Dichlorobutane c110565  
1972 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1973 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1974 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1975 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1976 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1977 C5H11Cl Pentane, 1-chloro- pencl1  
1978 C4H8O2 Butanoic acid bua  
1979 C6H5CH2 benzyl radical benzyl  
1980 C7H7 cycloheptatrienyl radical c7h7  
1981 C7H7+ cycloheptatrienyl cation c7h7+  
1982 C6H5CH3 toluene toluene  
1983 C7H8 cycloheptatriene cht  
1984 C7H8 Norbornadiene norbor  
1985 C7H8 Quadricyclane qucy  
1986 C7H12 Norbornane nor  
1987 C7H14 cycloheptane c7h14  
1988 C7H16 2-methylhexane 2mhex  
1989 C7H16 3-methylhexane hex3m  
1990 C7H16 heptane heptane  
1991 CH(CN)3 tricyanomethane mecn3  
1992 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1993 C6H7N 2-Methylpyridine mp  
1994 C6H5NH2 aniline aniline  
1995 C6H13N 2-Methylpiperidine pip2m  
1996 C6H13N cyclohexanamine cham  
1997 C6H15N triethylamine tea  
1998 N2O5 Dinitrogen pentoxide n2o5  
1999 C4H2O3 Maleic Anhydride malan  
2000 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2001 C5H4O2 furfural furfural  
2002 C6H5O phenoxy radical phenoxy  
2003 C5H5NO 2(1H)-Pyridinone c72762006  
2004 C5H5NO 2(3H)-Pyridinone c9000048  
2005 C5H5NO 2(5H)-Pyridinone c9000037  
2006 C5H5NO 2-Pyridinol c109104  
2007 C5H5NO 3(2H)-Pyridinone c9000004  
2008 C5H5NO 3(4H)-Pyridinone c9000026  
2009 C5H5NO 3(6H)-Pyridinone c9000015  
2010 C5H5NO 3-Pyridinol c109002  
2011 C5H5NO 4(1H)-Pryidinone c9000060  
2012 C5H5NO 4(3H)-Pryidinone c9000059  
2013 C5H5NO 4-Pyridinol c626642  
2014 C6H5OH phenol phenol  
2015 C6H6O 2,4-Cyclohexadienone c24599573  
2016 C6H6O 2,5-Cyclohexadienone c5664335  
2017 C6H5SH Benzenethiol phsh  
2018 HO2CCHNH2CH2OH Serine serine  
2019 C5H8O2 Acetylacetone acac  
2020 C4H8O2S Sulfolane sulfolane  
2021 C7H10 Norbornene norbornene  
2022 CH(C2H3)3 trivinyl methane tvm  
2023 C6H10O cyclohexanone chexo  
2024 C6H12O hexanal c6h12o  
2025 C6H12O Oxepane oxepane  
2026 C3H7OC3H7 di-n-propyl ether propr  
2027 F2CCCF2 tetrafluoroallene pfa  
2028 CF3COO- trifluoro acetate anion cf3coo-  
2029 CF3COF trifluoroacetyl fluoride cf3cof  
2030 CF3COCl trifluoroacetyl chloride cf3cocl  
2031 PF6 Hexafluorophosphate neutral pf6  
2032 PF6- Hexafluorophosphate ion pf6-  
2033 SF6 Sulfur Hexafluoride sf6  
2034 SeF6 Selenium hexafluoride sef6  
2035 SF5Cl sulfur chloropentafluoride sf5cl  
2036 CF3CHF2 pentafluoroethane cf3chf2  
2037 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2038 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2039 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2040 CCl3CHCl2 pentachloroethane ccl3chcl2  
2041 C6H5F Fluorobenzene bzf  
2042 C6H5Cl chlorobenzene bzcl  
2043 C6H5Br bromobenzene bzbr  
2044 C8H6 Calicene calicene  
2045 C6H5CCH phenylacetylene phac  
2046 C8H6 benzocyclobutadiene bcbd  
2047 C8H6 Pentalene pentalene  
2048 C6H5CHCH2 Styrene styrene  
2049 C8H8 cubane cubane  
2050 C8H8 cyclooctatetraene cot  
2051 C6H5CH2CH3 Ethylbenzene etbz  
2052 CH3C6H4CH3 meta-xylene mxylene  
2053 CH3C6H4CH3 paraxylene pxylene  
2054 C8H14 Bicyclo[2.2.2]octane bico222  
2055 C8H16 cyclooctane cyclooct  
2056 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2057 C8H18 Octane c8h18  
2058 C6H5CN phenyl cyanide phcn  
2059 C6H12N2 Triethylenediamine ted  
2060 C4O4-- squarate dianion c4o4--  
2061 S4N4 Tetrasulfur tetranitride s4n4  
2062 S8 Octasulfur s8  
2063 C6H4O2 parabenzoquinone pbq  
2064 C4H4N2O2 Uracil uracil  
2065 C6H5CHO benzaldehyde benzal  
2066 C6H5OCH3 Anisole anisole  
2067 C5H9NO2 Proline proline  
2068 C6H12O2 Methyl pivalate c598981  
2069 C6H12O2 Hexanoic acid hexa  
2070 C4F4 tetrafluorcyclobutadiene c4f4  
2071 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2072 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2073 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2074 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2075 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2076 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2077 C2F6 hexafluoroethane c2f6  
2078 C2Cl6 hexachloroethane c2cl6  
2079 IF7 Iodine heptafluoride if7  
2080 C6H4F2 metadifluorobenzene mdfb  
2081 C6H4F2 orthodifluorobenzene odfb  
2082 C6H4F2 1,4-difluorobenzene pdfb  
2083 C6H4Cl2 1,2-dichlorobenzene dcb12  
2084 C6H4Cl2 1,3-dichlorobenzene dcb13  
2085 C6H4Cl2 1,4-dichlorobenzene dcb14  
2086 C6H5NO nitrosobenzene bzno  
2087 C9H8 Indene indene  
2088 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2089 C9H12 n-propyl benzene prbz  
2090 C9H20 Nonane nonane  
2091 C(CN)4 tetracyanomethane c5n4  
2092 C5H4N4 purine purine  
2093 C8H7N Indole indole  
2094 C3H3N3O3 cyanuric acid cyanuric  
2095 C6H5NO2 Nitrobenzene c6h5no2  
2096 C6H5COOH benzoic acid benzo  
2097 CH3COC6H5 acetophenone acph  
2098 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2099 C3F6 hexafluoropropene c3f6  
2100 C6H3F3 Benzene trifluoride 123 bzf3a  
2101 C8H18O 1-Octanol octanol  
2102 C10H8 Azulene azu  
2103 C10H8 naphthalene naph  
2104 C10H10 bullvalene bullv  
2105 C10H16 adamantane adamantane  
2106 C6N4 Tetracyanoethylene tcne  
2107 C6N4- tetracyanoethylene anion tcne-  
2108 C10H22 Decane decane  
2109 C4F6 perfluorobutadiene c4f6  
2110 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2111 C3F8 perfluoropropane c3f8  
2112 Fe(CO)5 Iron pentacarbonyl ipc  
2113 Fe(C5H5)2 ferrocene fecp2  
2114 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2115 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2116 C12H8 Acenaphthylene acenaph  
2117 C12H8 biphenylene biph  
2118 C12H10 biphenyl biphenyl  
2119 C12H10 Heptalene heptalene  
2120 C6H12O6 Inositol inositol  
2121 C6F6 hexafluorobenzene c6f6  
2122 S2F10 disulphur decafluoride s2f10  
2123 C13H10 Fluorene fluorene  
2124 C14H10 Anthracene anth  
2125 C14H10 Phenanthrene phenanthrene  
2126 C14H14 Bibenzyl bibenzyl  
2127 C12H10N2 azobenzene azobenzene  
2128 C6H5COC6H5 benzophenone benzophenone  
2129 C16H10 Pyrene pyrene  
2130 C18H12 Tetracene tetracene  
2131 C19H16 Triphenylmethane tpm  
2132 C24H12 Coronene coronene  
2133 C60 Buckminsterfullerene c60