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 /3-21G

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 H2 Hydrogen diatomic 1ΣgD∞h
5 He Helium atom 1SKh
6 Li Lithium atom 2SKh
7 Na Sodium atom 2SKh
8 K Potassium atom 2SKh
9 Cu Copper atom 2SKh
10 LiH Lithium Hydride 1ΣC∞v
11 Be Beryllium atom 1SKh
12 Be+ Beryllium atom cation 2SKh
13 Mg Magnesium atom 1SKh
14 Mg+ Magnesium atom cation 2SKh
15 Ca Calcium atom 1SKh
16 Zn Zinc atom 1SKh
17 B Boron atom 2PKh
18 B Boron atom 4PKh
19 B+ Boron atom cation 1SKh
20 Al Aluminum atom 2PKh
21 Al+ Aluminum atom cation 1SKh
22 C Carbon atom 3P0Kh
23 C Carbon atom 3P1Kh
24 C+ Carbon atom cation 2PKh
25 Si Silicon atom 3PKh
26 Si Silicon atom 1SKh
27 Si+ Silicon atom cation 2PKh
28 SiH2 silicon dihydride 3B1C2v
29 CH4 Methane 1A1Td
30 N Nitrogen atom 4SKh
31 N Nitrogen atom 2DKh
32 N+ Nitrogen atom cation 3PKh
33 P Phosphorus atom 4SKh
34 AsH2 Arsenic dihydride 2A1C2v
35 NH3 Ammonia 1A1C3v
36 AsH3+ Arsine cation 2A1C3v
37 O Oxygen atom 3SKh
38 O+ Oxygen atom cation 4SKh
39 S Sulfur atom 3PKh
40 OH Hydroxyl radical 2ΠC∞v
41 H2O Water 1A1C2v
42 F Fluorine atom 2PKh
43 F+ Fluorine atom cation 3SKh
44 Cl Chlorine atom 2PKh
45 Cl+ Chlorine atom cation 3PKh
46 Br Bromine atom 2PKh
47 I Iodine atom 2PKh
48 HF Hydrogen fluoride 1ΣC∞v
49 HCl Hydrogen chloride 1ΣC∞v
50 Ne Neon atom 1SKh
51 Ne+ Neon atom cation 2PKh
52 Ar Argon atom 1SKh
53 Na2 Sodium diatomic 1ΣgD∞h
54 C2H2 Acetylene 1ΣgD∞h
55 C2H4 Ethylene 1AgD2h
56 C2H6 Ethane 1A1gD3d
57 N2 Nitrogen diatomic 1ΣgD∞h
58 HCN Hydrogen cyanide 1ΣC∞v
59 CaO Calcium monoxide 1ΣC∞v
60 CO Carbon monoxide 1ΣC∞v
61 CS carbon monosulfide 1ΣC∞v
62 NO Nitric oxide 2ΠC∞v
63 O2 Oxygen diatomic 3ΣgD∞h
64 CaOH Calcium monohydroxide 2Σ+C∞v
65 HO2 Hydroperoxy radical 2A"Cs
66 H2CO Formaldehyde 1A1C2v
67 LiBr Lithium Bromide 1ΣC∞v
68 NaBr Sodium Bromide 1ΣC∞v
69 BF Boron monofluoride 1ΣC∞v
70 F2 Fluorine diatomic 1ΣgD∞h
71 Cl2 Chlorine diatomic 1ΣgD∞h
72 IF Iodine monofluoride 1ΣC∞v
73 ICl Iodine monochloride 1ΣC∞v
74 IBr Iodine monobromide 1ΣC∞v
75 HCF Fluoromethylene 3A"Cs
76 NH2Cl chloramine 1A'Cs
77 C3H5 Allyl radical 2A2C2v
78 C3H6 Cyclopropane 1A1'D3h
79 CH2CHCH3 Propene 1A'Cs
80 CO2 Carbon dioxide 1ΣgD∞h
81 SO2 Sulfur dioxide 1A1C2v
82 S3 Sulfur trimer 1A1C2v
83 HOCO Hydrocarboxyl radical 1A'cis
84 HOCO Hydrocarboxyl radical 1A'trans
85 CH3CO Acetyl radical 2A'Cs
86 As(CH3)3 trimethyl arsine 1A1C3v
87 BF3 Borane, trifluoro- 1A'D3h
88 AlF3 Aluminum trifluoride 1A1'D3h
89 C2H4F2 1,2-difluoroethane 1AgC2H anti
90 C2H4F2 1,2-difluoroethane 1AC2 gauche
91 CaCO3 Calcium Carbonate 1A1C2v

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