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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 H3+ hydrogen trimer cation 1A1'D3h
7 He Helium atom 1SKh
8 He Helium atom   
9 He- Helium atom anion 2SKh
10 He+ Helium atom cation 2SKh
11 HeH+ Helium hydride cation 1ΣC∞v
12 He2+ helium diatomic cation 2ΣuD∞h
13 Li Lithium atom 2SKh
14 Li- Lithium atom anion 1SKh
15 Li+ Lithium atom cation 1SKh
16 Na Sodium atom 2SKh
17 Na- Sodium atom anion 1SKh
18 LiH Lithium Hydride 1ΣC∞v
19 LiH- lithium hydride anion 2ΣC∞v
20 LiH+ lithium hydride cation 2ΣC∞v
21 NaH sodium hydride 1ΣC∞v
22 NaH- sodium hydride anion 2ΣC∞v
23 NaH+ sodium hydride cation 2ΣC∞v
24 Be Beryllium atom 1SKh
25 Be- Beryllium atom anion 2PKh
26 Be+ Beryllium atom cation 2SKh
27 Mg Magnesium atom 1SKh
28 Mg- Magnesium atom anion 2PKh
29 Mg+ Magnesium atom cation 2SKh
30 BeH beryllium monohydride 2ΣC∞v
31 BeH- berylium monohydride anion 1ΣC∞v
32 BeH+ beryllium monohydride cation 1ΣC∞v
33 MgH magnesium monohydride 2ΣC∞v
34 CaH Calcium monohydride 2ΣC∞v
35 CaH+ Calcium monohydride cation 2ΣC∞v
36 TiH Titanium monohydride 4ΦC∞v
37 ZnH+ Zinc, protonated   
38 BeH2 beryllium dihydride 1ΣgD∞h
39 BeH2+ Beryllium dihydride cation 2ΣC∞v
40 BeH2+ Beryllium dihydride cation 2ΣuD∞h
41 BeH2+ Beryllium dihydride cation   
42 MgH2 magnesium dihydride 1ΣgD∞h
43 B Boron atom 2PKh
44 B Boron atom 4PKh
45 B- Boron atom anion 3PKh
46 B+ Boron atom cation 1SKh
47 Al Aluminum atom 2PKh
48 Al- Aluminum atom anion 3PKh
49 Al+ Aluminum atom cation 1SKh
50 Sc Scandium atom 2DKh
51 Sc+ Scandium cation 3DKh
52 Ga Gallium atom 2P 
53 Ga- Gallium atom anion 3POh
54 Ga+ Gallium atom cation 1S 
55 BH Boron monohydride 1ΣC∞v
56 BH Boron monohydride 3ΠC∞v
57 BH- boron monohydride anion 2ΠC∞v
58 BH- boron monohydride anion 4ΣC∞v
59 BH+ boron monohydride cation 2ΣC∞v
60 AlH- aluminum monohydride anion 2ΠC∞v
61 AlH+ aluminum monohydride cation 2ΣC∞v
62 ScH Scandium monohydride 1ΣC∞v
63 GaH Gallium monohydride 1ΣC∞v
64 GaH+ Gallium monohydride cation 2ΣC∞v
65 BH2- boron dihydride anion 3B1C2v
66 BH2- boron dihydride anion 1A1C2v
67 BH2+ Boron dihydride cation 1ΣgD∞h
68 BH3 boron trihydride 1A1'D3h
69 BH3+ boron trihydride cation 2B2C2v
70 BH3+ boron trihydride cation  C2v
71 AlH3 aluminum trihydride 1A1'D3h
72 AlH3- aluminum trihydride anion  C3v
73 AlH3+ aluminum trihydride cation 2A1C2v
74 ScH3 Scandium trihydride 1A1'D3h
75 ScH3 Scandium trihydride 1A1C3v
76 GaH3 Gallium trihydride 1A1'D3h
77 BH4 borohydride 2B2C2v
78 BH4- borohydride anion 1A1Td
79 C Carbon atom 3P0Kh
80 C Carbon atom 3P1Kh
81 C- Carbon atom anion 4SKh
82 C- Carbon atom anion 2DKh
83 C+ Carbon atom cation 2PKh
84 Si Silicon atom 3PKh
85 Si Silicon atom 1SKh
86 Si- Silicon atom anion 4SKh
87 Si+ Silicon atom cation 2PKh
88 Ge Germanium atom 3PKh
89 Ge- Germanium anion 4SKh
90 Ge+ Germanium cation 2PKh
91 CH Methylidyne 2Π1/2C∞v
92 CH- methylidyne anion 3ΣC∞v
93 CH+ Methylidyne cation 1ΣC∞v
94 SiH Silylidyne 2ΠC∞v
95 SiH- silicon monohydride anion 3ΣC∞v
96 SiH+ silicon monohydride cation 1ΣC∞v
97 GeH germylidene 2ΠC∞v
98 GeH+ Germaniun monohyrdide cation 1ΣC∞v
99 CH2 Methylene 3B1C2v
100 CH2 Methylene 3ΣGD∞h
101 CH2 Methylene 1A1C2v
102 CH2- methylene anion 2B1C2v
103 CH2+ methylene cation 2A1C2v
104 CH2+ methylene cation 2ΠD∞h
105 SiH2 silicon dihydride 3B1C2v
106 GeH2 germylene 1A1C2v
107 GeH2- germylene anion 2B1C2v
108 CH3 Methyl radical 2A1D3h
109 CH3- methyl anion 1A1C3v
110 CH3+ methyl cation 1A1'D3h
111 SiH3 Silyl radical 2A1C3v
112 SiH3+ Silyl cation 1A1'D3h
113 GeH3 Germyl radical 2A1C3v
114 GeH3+ germyl cation 1A1'D3h
115 CD4 methane-d4 1A1Td
116 CH2D2 methane-d2 1A1C2v
117 CH3D methane-d 1A1C3v
118 CH4 Methane 1A1Td
119 CH4- Methane anion 2A1Td
120 CH4- Methane anion 2A1C3v
121 CHD3 methane-d3 1A1C3v
122 SiH2D2 silane-d2   
123 SiH4 Silane 1A1Td
124 GeH4 Germane 1A1Td
125 SiH5+ Silane, protonated   
126 N Nitrogen atom 4SKh
127 N Nitrogen atom 2DKh
128 N- Nitrogen atom anion 3SKh
129 N+ Nitrogen atom cation 3PKh
130 P Phosphorus atom 4SKh
131 P- Phosphorus atom anion 3PKh
132 P+ Phosphorus atom cation 3PKh
133 V Vanadium atom 4FKh
134 V+ Vanadium atom cation 5DKh
135 As Arsenic atomic 4SKh
136 As- Arsenic anion 3PKh
137 As+ Arsenic cation 3PKh
138 NH Imidogen 1Σ+C∞v
139 NH- Imidogen anion 2ΠC∞v
140 NH+ imidogen cation 2ΠC∞v
141 PH phosphorus monohydride 3Σ-C∞v
142 PH phosphorus monohydride 1ΔC∞v
143 AsH Arsenic monohydride 3ΣC∞v
144 AsH Arsenic monohydride 1ΣC∞v
145 AsH+ Arsenic monohydride cation 2ΠC∞v
146 NH2 Amino radical 2B1C2v
147 NH2+ Amino cation 3B1C2v
148 NH2+ Amino cation 1A1C2v
149 AsH2 Arsenic dihydride 2A1C2v
150 AsH2+ Arsenic dihydride cation 1A1C2v
151 NH3 Ammonia 1A1C3v
152 NH3- Ammonia anion 2A1C3v
153 NH3+ ammonia cation 2A2"D3h
154 PH3 Phosphine 1A1C3v
155 PH3+ Phosphine cation 2A1C3v
156 AsH3+ Arsine cation 2A1C3v
157 AsH4+ Arsonium   
158 NH4 Ammonium radical   
159 NH4+ ammonium cation 1A1Td
160 PH4 Phosphoranyl radical   
161 PH4+ phosphonium cation   
162 O Oxygen atom 3SKh
163 O- Oxygen atom anion 2PKh
164 O+ Oxygen atom cation 4SKh
165 S Sulfur atom 3PKh
166 S Sulfur atom   
167 S- Sulfur atom anion 2PKh
168 S+ Sulfur atom cation 4SKh
169 Se Selenium atom 3PKh
170 Se- Selenium atom anion 2PKh
171 Se+ Selenium atom cation 4SKh
172 OH Hydroxyl radical 2ΠC∞v
173 OH- hydroxide anion 1ΣC∞v
174 OH+ hydoxyl cation 3ΣC∞v
175 OH+ hydoxyl cation 1ΣC∞v
176 HS Mercapto radical 2ΠC∞v
177 HS- mercapto anion 1ΣC∞v
178 HS+ sulfur monohydride cation 3ΣC∞v
179 CrH+ Chromium hydride cation 5ΣC∞v
180 HSe Selenium monohydride 2ΠC∞v
181 HSe- selenium monohydride anion 1ΣC∞v
182 HSe+ selenium monohydride cation 3ΣC∞v
183 HSe+ selenium monohydride cation 1ΣC∞v
184 H2O Water 1A1C2v
185 H2O- water anion 2A1C2v
186 H2O- water anion 2A'Cs
187 H2O+ water cation 2B1C2v
188 HDO Water-d1 1A1C2v
189 H2S Hydrogen sulfide 1A1C2v
190 H2S- Hydrogen sulfide anion 2A'Cs
191 H2S+ Hydrogen sulfide cation 2B1C2v
192 H2Se Hydrogen selenide 1A1C2v
193 H2Se+ Hydrogen selenide cation 2B1C2v
194 H3O+ hydronium cation 1A1C3v
195 H3S+ Sulfonium cation 1A1C3v
196 H3Se+ Hydrogen Selenide, protonated 1A1C3v
197 F Fluorine atom 2PKh
198 F- Fluorine atom anion 1SKh
199 F+ Fluorine atom cation 3SKh
200 F+ Fluorine atom cation 1DKh
201 Cl Chlorine atom 2PKh
202 Cl- Chlorine atom anion 1SKh
203 Cl+ Chlorine atom cation 3PKh
204 Cl+ Chlorine atom cation 1DKh
205 Br Bromine atom 2PKh
206 Br- Bromine atom anion 1SKh
207 Br+ Bromine atom cation 3PKh
208 DF Hydrofluoric acid-d 1ΣC∞v
209 HF Hydrogen fluoride 1ΣC∞v
210 HF- hydrogen fluoride anion 2ΣC∞v
211 HF+ hydrogen fluoride cation 2ΠC∞v
212 HCl Hydrogen chloride 1ΣC∞v
213 HCl- hydrogen chloride anion 2ΣC∞v
214 HCl+ hydrogen chloride cation 2ΠC∞v
215 HBr hydrogen bromide 1ΣC∞v
216 HBr- hydrogen bromide anion 2ΣC∞v
217 HBr+ hydrogen bromide cation 2ΠC∞v
218 H2Cl+ dihydrogen monochloride cation 1A1C2v
219 H2Br+ protonated hydrogen bromide 2A1C2v
220 Ne Neon atom 1SKh
221 Ne Neon atom   
222 Ne- Neon atom anion 2SKh
223 Ne+ Neon atom cation 2PKh
224 Ar Argon atom 1SKh
225 Ar- Argon atom anion 2SKh
226 Ar+ Argon atom cation 2PKh
227 Kr Krypton atom 1SKh
228 Kr+ Krypton cation 2PKh
229 HeLi+ Helium Lithium cation   
230 NeH neon hydrogen 2ΣC∞v
231 NeH+ neon hydrogen cation 1ΣC∞v
232 ArH+ Argon hydride cation 1ΣC∞v
233 KrH+ Protonated Krypton 1ΣC∞v
234 H2Ar H2 Ar dimer 1ΣC∞v
235 Li2 Lithium diatomic 1ΣgD∞v
236 Li2- lithium diatomic anion 2ΣuD∞h
237 NaLi lithium sodium 1ΣC∞v
238 Na2 Sodium diatomic 1ΣgD∞h
239 Na2- sodium diatomic anion 2ΣuD∞h
240 Na2+ sodium diatomic cation 2ΣgD∞h
241 LiBe Lithium Beryllium 2ΣC∞v
242 LiMg Lithium magnesium 2ΣC∞v
243 NaBe Sodium Beryllium 2ΣC∞v
244 NaMg Sodium Magnesium 2ΣC∞v
245 Be2 Beryllium diatomic 1ΣgD∞h
246 Be2 Beryllium diatomic 3ΠgD∞h
247 Be2- Beryllium diatomic anion 2ΠuD∞h
248 Be2+ Beryllium diatomic cation 2ΣuD∞h
249 BeMg Beryllium Magnesium 1ΣC∞v
250 Mg2 Magnesium diatomic 1ΣgD∞h
251 Ca2 Calcium diatomic 1ΣGD∞h
252 LiB Lithium boride 3ΠC∞v
253 LiAl Lithium Aluminum   
254 NaAl Sodium aluminum 1ΣC∞v
255 BeB Beryllium monoboride 2ΠC∞v
256 B2 Boron diatomic 3ΣgD∞h
257 B2 Boron diatomic 1ΣgD∞h
258 B2 Boron diatomic 5ΣuD∞h
259 B2- Boron diatomic anion 4ΣgD∞h
260 B2+ Boron diatomic cation 2ΠD∞h
261 BAl Boron Aluminum 3ΣC∞v
262 Al2 Aluminum diatomic 1ΣgD∞h
263 AlGa Aluminum Gallium 3ΣC∞v
264 AlGa Aluminum Gallium 1ΣC∞v
265 Ga2 Gallium diatomic 3Piu 
266 HBBH Diborane(2) 3ΣGD∞h
267 LiBH4 Lithium borohydride 1A1C3v
268 B2H4 Diborane(4) D2d 1A1D2d
269 HBHHBH Diborane(4) C2V 1A1C2v
270 B2H6 Diborane 1AgD2h
271 B2H6+ Diborane cation   
272 Al2H6 dialane 1AGD2h
273 LiC Lithium Carbide 4ΣC∞v
274 BeC Beryllium Carbide 3Σ-C∞v
275 BeC Beryllium Carbide   
276 CaC Calcium monocarbide   
277 BC boron monocarbide 4Σ-C∞v
278 BC boron monocarbide 2ΠC∞v
279 BC- boron monocarbide anion 3ΠuC∞v
280 BC- boron monocarbide anion 1Σg+C∞v
281 BC+ boron monocarbide cation 3ΣC∞v
282 BC+ boron monocarbide cation 1ΣC∞v
283 AlC Aluminum carbide 4ΣC∞v
284 BSi Boron silicide 4ΣC∞v
285 BSi Boron silicide 2ΣC∞v
286 C2 Carbon diatomic 1Σg+D∞h
287 C2 Carbon diatomic 3ΠuD∞h
288 C2- carbon diatomic anion 2ΣgD∞h
289 C2+ carbon diatomic cation 4ΣgD∞h
290 C2+ carbon diatomic cation 2ΠD∞h
291 SiC silicon monocarbide 3ΣC∞v
292 SiC silicon monocarbide 1ΣC∞v
293 Si2 Silicon diatomic 1ΣgD∞h
294 GeC Germanium monocarbide 1ΣC∞v
295 GeC Germanium monocarbide   
296 SiGe Silicon Germanium   
297 Ge2 Germanium diatomic 3ΣgD∞h
298 C2H Ethynyl radical 2ΣC∞v
299 C2H- Ethynyl anion 1ΣC∞v
300 C2H2 Acetylene 1ΣgD∞h
301 C2H2+ acetylene cation 2ΠuD∞h
302 C2H2+ acetylene cation   
303 CCH2 vinylidene 3B2C2v
304 H2CC- vinylidene anion   
305 HCCH- acetylene anion   
306 HCCH- acetylene anion   
307 Si2H2 disilyne   
308 Si2H2 disilyne   
309 Si2H2 disilyne   
310 Si2H2 disilyne   
311 CH3Li methyl lithium 1A1C3v
312 CH2BH methyleneborane 1A1C2v
313 C2H3 vinyl 2A'Cs
314 C2H3- vinyl anion 1A'Cs
315 C2H3+ vinyl cation 1A1C2V bridging H
316 C2H3+ vinyl cation 1A1C2V HCCH2
317 C2H4 Ethylene 1AgD2h
318 C2H4+ Ethylene cation 2B3D2
319 Si2H4 Disilene   
320 Si2H4 Disilene   
321 Si2H4 Disilene   
322 CH3BH2 methylborane 1A'Cs
323 C2H5 Ethyl radical 2A'Cs
324 C2H5- Ethyl anion 1A'Cs
325 C2H6 Ethane 1A1gD3d
326 C2H6 Ethane 1A1'D3h
327 C2H6+ ethane cation 2BgC2h
328 Si2H6 disilane 1EuD3d
329 GeH3CH3 methyl germane 1A1C3v
330 C2H7+ Ethane, protonated 1AC2
331 LiN Lithium Nitride 3ΣC∞v
332 LiN Lithium Nitride 1ΣC∞v
333 LiN+ Lithium Nitride cation 4ΣC∞v
334 LiP Lithium monophosphide   
335 LiP Lithium monophosphide   
336 BeN Beryllium mononitride 4ΣC∞v
337 BeN Beryllium mononitride 2ΠC∞v
338 BeN- Beryllium mononitride anion 1ΣC∞v
339 BeN+ Beryllium mononitride cation 3ΣC∞v
340 BeN+ Beryllium mononitride cation 1ΣC∞v
341 MgN Magnesium Nitride   
342 MgN Magnesium Nitride   
343 BN- boron nitride anion 2ΣC∞v
344 BP Boron monophosphide 3ΠC∞v
345 BP Boron monophosphide 1ΣC∞v
346 AlP Aluminum monophosphide 3ΣC∞v
347 AlP Aluminum monophosphide 3ΠC∞v
348 AlP Aluminum monophosphide 1ΣC∞v
349 GaN Gallium mononitride 3ΠC∞v
350 GaN Gallium mononitride 1ΣC∞v
351 GaP Gallium monophosphide 1ΣC∞v
352 GaAs Gallium arsenide 3Π 
353 GaAs Gallium arsenide 1Σ 
354 BN boron nitride 3ΠC∞v
355 BN boron nitride 1ΣC∞v
356 BN+ boron nitride cation 2ΠC∞v
357 AlN Aluminum nitride 1ΣC∞v
358 CN Cyano radical 2ΣC∞v
359 CN- cyanide anion 1ΣC∞v
360 CN+ Cyano cation 1ΣC∞v
361 CP+ carbon monophosphide cation 1ΣC∞v
362 SiP Silicon monophosphide 2ΠC∞v
363 SiP- Silicon monophosphide anion 1ΣC∞v
364 SiP+ Silicon monophosphide cation 1ΣC∞v
365 N2 Nitrogen diatomic 1ΣgD∞h
366 N2 Nitrogen diatomic   
367 N2- nitrogen diatomic anion 2ΠgD∞h
368 N2+ diatomic nitrogen cation 2ΣgD∞h
369 PN Phosphorus mononitride 1ΣC∞v
370 P2 Phosphorus diatomic 1ΣgD∞h
371 AsN Arsenic mononitride 1ΣC∞v
372 AsP Arsenic monophosphide 1ΣC∞v
373 HCN Hydrogen cyanide 1ΣC∞v
374 HCN+ hydrogen cyanide cation 2ΠC∞v
375 HNC+ hydrogen isocyanide cation   
376 HCP+ Phosphaethyne cation   
377 NNH+ Dinitrogen monohydride cation 1ΣC∞v
378 LiNH2 lithium amide   
379 HBNH Boranimine 1ΣC∞v
380 CNH2 Aminomethylidyne radical 2B2C2v
381 CNH2+ N-protonated hydrogen isocyanide 1A1C2v
382 H2CN Dihydrogen cyanide radical 2B2C2v
383 H2CN+ hydrocyanonium cation 1A1C2v
384 HCNH methyleneazane 2A'CS cis
385 HCNH methyleneazane 2A'CS trans
386 HCNH+ N-protonated HCN 1ΣC∞v
387 H2NN Isodiazene   
388 N2H2 (E)-diazene 1AgC2h
389 N2H2 (Z)-Diazene 1A1C2v
390 N2H2+ trans-diazene cation 2AGC2h
391 CH2NH Methanimine 1A'Cs
392 CH2NH+ Methanimine cation   
393 CHNH2 aminomethylene   
394 CHNH2+ Aminocarbene cation   
395 CH2PH Phosphaethene 1A'Cs
396 BH2NH2 Boranamine   
397 CH2NH2+ methyleneamine cation 1A1C2v
398 N2H4 Hydrazine 1AC2
399 N2H4+ hydrazine cation 2AGC2h
400 CH3NH2 methyl amine 1A'Cs
401 CH3NH2+ methyl amine cation 2A'Cs
402 SiH3NH2 Silane, amino   
403 N2H5+ protonated hydrazine 1A'Cs
404 BH3PH3 borane phosphine   
405 BH3NH3 borane ammonia 1A1C3v
406 CH3NH3 methyl ammonium radical 2A1C3v
407 CH3PH3+ methyl phosphine, protonated 1A1C3v
408 NH3NH3 Ammonia Dimer 1AgC2h
409 NH3NH3 Ammonia Dimer 1A'Cs
410 N2H7+ ammonia ammonium dimer   
411 LiO lithium oxide 2ΣC∞v
412 LiO- lithium oxide anion 1ΣC∞v
413 LiO- lithium oxide anion 3ΣC∞v
414 LiO+ lithium oxide cation 3ΣC∞v
415 LiO+ lithium oxide cation 1ΣC∞v
416 LiS Lithium monosulfide 2ΠC∞v
417 LiS+ Lithium sulfide cation 3ΣC∞v
418 NaO sodium monoxide 2ΣC∞v
419 NaO+ sodium oxide cation 3ΣC∞v
420 NaS Sodium sulfide 2ΠC∞v
421 LiSe Lithium monoselenide   
422 BeO beryllium oxide 1ΣC∞v
423 BeO+ Beryllium monoxide cation 2ΠC∞v
424 CaO Calcium monoxide 1ΣC∞v
425 ZnS Zinc sulfide 1Σ+C∞v
426 BO boron monoxide 2ΣC∞v
427 BO- boron monoxide anion 1ΣC∞v
428 AlO+ aluminum monoxide cation 1ΣC∞v
429 AlS- aluminum monosulfide anion 1ΣC∞v
430 ScO Scandium monoxide 2ΣC∞v
431 GaO Gallium monoxide 2ΣC∞v
432 GaS Gallium monosulfide   
433 BO+ boron monoxide cation 1ΣC∞v
434 CO Carbon monoxide 1ΣC∞v
435 CO Carbon monoxide 3ΠC∞v
436 CO- carbon monoxide anion 2ΠC∞v
437 CO+ carbon monoxide cation 2ΣC∞v
438 SiO Silicon monoxide 1ΣC∞v
439 SiS silicon monosulfide 1ΣC∞v
440 TiO Titanium monoxide 3ΔC∞v
441 CSe Carbon monoselenide 1ΣC∞v
442 GeO Germanium monoxide 1ΣC∞v
443 GeO+ Germanium monoxide cation 2ΣC∞v
444 GeS Germanium monosulfide 1ΣC∞v
445 SiSe Silicon Monoselenide   
446 SiSe+ Silicon Monoselenide cation   
447 GeSe Germanium monoselenide   
448 NO Nitric oxide 2ΠC∞v
449 NO- nitric oxide anion 3ΣC∞v
450 NO- nitric oxide anion 1ΔC∞v
451 NO+ nitric oxide cation 1ΣC∞v
452 NS Mononitrogen monosulfide 2ΠC∞v
453 NS- nitrogen sulfide anion 3ΣC∞v
454 PO Phosphorus monoxide 2ΠC∞v
455 PS phosphorus sulfide 2ΣC∞v
456 PS- phosphorus monosulfide anion 1ΣC∞v
457 VO Vanadium monoxide 4Σ- 
458 NSe Nitrogen monoselenide 2ΠC∞v
459 AsS Arsenic monosulfide 2ΠC∞v
460 PSe Phosphorus monoselenide 2ΠC∞v
461 AsSe Arsenic monoselenide 2ΠC∞v
462 O2 Oxygen diatomic 3ΣgD∞h
463 O2 Oxygen diatomic 1ΔgD∞h
464 O2- oxygen diatomic anion 2ΠD∞h
465 O2-- dioxygen dianion   
466 O2+ diatomic oxygen cation 2ΠgD∞h
467 SO Sulfur monoxide 3ΣC∞v
468 SO Sulfur monoxide 1ΣC∞v
469 SO+ sulfur monoxide cation 2ΠC∞v
470 S2 Sulfur diatomic 3ΣgD∞h
471 S2 Sulfur diatomic 1ΣD∞h
472 SeO Selenium monoxide 3ΣC∞v
473 SeO Selenium monoxide 1?C∞v
474 Se2 Selenium diatomic 3ΣgD∞h
475 LiOH lithium hydroxide 1ΣC∞v
476 BeOH beryllium monohydroxide 2A'Cs
477 BeOH beryllium monohydroxide 2ΣC∞v
478 HBO Boron hydride oxide 1ΣC∞v
479 HBS hydrogen boron sulfide 1ΣC∞v
480 COH Hydroxymethylidyne   
481 COH+ Carbon Monoxide, protonated 1ΣC∞v
482 HCO Formyl radical 2A'Cs
483 HCO- formyl anion 1A'Cs
484 HCO+ Formyl cation 1ΣC∞v
485 HNO Nitrosyl hydride 1A'Cs
486 HNO- Nitrosyl hydride anion 2A"Cs
487 HNO+ Nitrosyl hydride cation 2A'Cs
488 NOH Hydroxyimidogen 3A"Cs
489 NOH+ O-protonated nitric oxide 2A'Cs
490 HNS Sulfur imide 1A'Cs
491 HNS- Sulfur imide anion 2ACs
492 HO2 Hydroperoxy radical 2A"Cs
493 HO2+ Hydroperoxy cation 3A"Cs
494 HSO+ Sulfur Monoxide, S-protonated   
495 SOH Sulfur Hydroxide   
496 SOH+ Sulfur Monoxide, protonated   
497 HS2 Thiosulfeno radical 2A"Cs
498 H2CO Formaldehyde 1A1C2v
499 H2CO- formaldehyde anion 2A'Cs
500 H2CO- formaldehyde anion   
501 H2CO+ formaldehyde cation 2B2C2v
502 HOCH hydroxycarbene 1A'CS trans
503 HOCH hydroxycarbene 1A'CS cis
504 H2CS Thioformaldehyde 1A1C2v
505 H2CS- thioformaldehyde anion   
506 H2CS- thioformaldehyde anion   
507 H2CS+ thioformaldehyde cation 2B2C2v
508 H2CSe Selenoformaldehyde   
509 H2NO nitroxide 2B1C2v
510 H2NO nitroxide 2A'Cs
511 H2O2 Hydrogen peroxide 1AC2
512 H2O2 Hydrogen peroxide 1AgC2h
513 H2O2+ Hydrogen peroxide cation 2BgC2h
514 H2O2+ Hydrogen peroxide cation 2A1C2v
515 H2OO water oxide   
516 HOSH hydrogen thioperoxide   
517 H2S2 Disulfane 1AC2
518 H2S2+ hydrogen disulfide cation 2BgC2h
519 H2Se2 hydrogen diselenide   
520 CH2OH Hydroxymethyl radical 2AC1
521 CH2OH+ hydroxymethyl cation 1A'Cs
522 CH3O- methoxy anion 1A1C3v
523 CH3O+ Methoxy cation 3A1C3v
524 H2CSH+ Thioformaldehyde, protonated 1A'Cs
525 NH2OH hydroxylamine 1A'Cs
526 NH2OH+ Hydroxylamine cation   
527 NH3O Ammonia Oxide 1A1C3v
528 H2POH Phosphinous acid 1A1'CS trans
529 H2POH Phosphinous acid 1A1'CS cis
530 H3PO Phosphine oxide 1A1C3v
531 NH2SH Thiohydroxylamine   
532 CH3OH Methyl alcohol 1A'Cs
533 CH3OH- Methyl alcohol anion 2A'Cs
534 CH3OH+ Methyl alcohol cation 2A"Cs
535 CH3SH Methanethiol 1A'Cs
536 CH3SH+ Methanethiol cation 2A"Cs
537 SiH3OH silanol   
538 NH2OH2+ protonated hydroxylamine   
539 NH3OH+ N-protonated hydroxylamine   
540 H2OH2O water dimer 1A'Cs
541 CH3OH2+ Methanol, protonated 1A'Cs
542 H5O2+ Dihydroxonium ion 1AC2
543 LiF lithium fluoride 1ΣC∞v
544 LiCl lithium chloride 1ΣC∞v
545 LiCl- lithium chloride anion 2ΣC∞v
546 LiCl+ lithium chloride cation 2ΠC∞v
547 NaF sodium fluoride 1ΣC∞v
548 NaF- sodium fluoride anion 2ΣC∞v
549 NaF+ sodium fluoride cation 2ΣC∞v
550 NaCl Sodium Chloride 1ΣC∞v
551 NaCl+ sodium chloride cation 2ΠC∞v
552 LiBr Lithium Bromide 1ΣC∞v
553 LiF- lithium fluoride anion 2ΣC∞v
554 LiF+ lithium fluoride cation 2ΠC∞v
555 BeF- Beryllium monofluoride anion 1ΣC∞v
556 BeF+ Beryllium monofluoride cation 1ΣC∞v
557 MgF+ magnesium fluoride cation 1ΣC∞v
558 ZnF Zinc monofluoride 2ΣC∞v
559 CaBr Calcium monobromide   
560 BF Boron monofluoride 1ΣC∞v
561 BF- Boron monofluoride anion 2ΠC∞v
562 BF+ Boron monofluoride cation 2ΣC∞v
563 AlF Aluminum monofluoride 1Σ+C∞v
564 AlCl Aluminum monochloride 1ΣC∞v
565 ScF Scandium monofluoride 1ΣC∞v
566 BBr Boron monobromide 1ΣC∞v
567 GaF Gallium monofluoride 1ΣC∞v
568 GaF+ Gallium monofluoride cation 2ΣC∞v
569 AlBr Aluminum monobromide   
570 GaCl Gallium monochloride 1ΣGC∞v
571 GaCl+ Gallium monochloride cation 2ΣC∞v
572 GaBr Gallium monobromide   
573 CF Fluoromethylidyne 2ΠC∞v
574 CF- carbon monofluoride anion 1ΣC∞v
575 CF+ carbon monofluoride cation 1ΣC∞v
576 SiF silicon monofluoride 2ΠC∞v
577 SiF- silicon monofluoride anion 3ΣC∞v
578 SiF+ silicon monofluoride cation 1ΣC∞v
579 SiCl Clorosilylidyne 2ΠC∞v
580 CBr Carbon monobromide 2ΠC∞v
581 GeF Germanium monofluoride 2ΠC∞v
582 GeF+ Germanium monofluoride cation 1ΣC∞v
583 GeCl Germanium monochloride 2ΠC∞v
584 GeCl+ Germanium monochloride cation   
585 SiBr Silicon monobromide 2ΠC∞v
586 SiBr+ Silicon monobromide cation   
587 NF nitrogen fluoride 1ΣC∞v
588 NF- nitrogen monofluorine anion 2ΠC∞v
589 NF+ nitrogen monofluoirde cation 2ΠC∞v
590 NCl nitrogen monochloride 3ΣC∞v
591 NCl nitrogen monochloride 1ΣC∞v
592 NCl+ nitrogen monochloride cation 2ΠC∞v
593 PF phosphorus monofluoride 1ΔC∞v
594 PCl phosphorus chloride 1ΣC∞v
595 AsF Arsenic monofluoride 3ΣC∞v
596 AsF Arsenic monofluoride 1ΔC∞v
597 NBr nitrogen monobromide 3Σ-C∞v
598 AsCl Arsenic monochloride 3ΣC∞v
599 PBr Phosphorus monobromide   
600 FO Oxygen monofluoride 2ΠC∞v
601 FO- flourine oxide anion 1ΣC∞v
602 FO+ fluorine monoxide cation 3ΣC∞v
603 ClO Monochlorine monoxide 2ΠC∞v
604 ClO+ chlorine monoxide cation 3ΣC∞v
605 ClO+ chlorine monoxide cation 1ΣC∞v
606 SF Monosulfur monofluoride 2ΠC∞v
607 SF+ sulfur monofluoride cation 3ΣC∞v
608 SF+ sulfur monofluoride cation 1ΣC∞v
609 SCl sulfur monochloride 2ΠC∞v
610 SCl+ sulfur monochloride cation 3ΣgC∞v
611 SCl+ sulfur monochloride cation 1ΣC∞v
612 BrO Bromine monoxide 2ΠC∞v
613 BrO- Bromine monoxide anion 1ΣC∞v
614 BrO+ Bromine monoxide cation   
615 SeF Selenium monofluoride 2ΠC∞v
616 SBr Sulfur monobromide radical   
617 SBr+ Sulfur monobromide cation   
618 SeCl Selenium monochloride 2ΠC∞v
619 SeBr Selenium monobromide   
620 BrCl Bromine monochloride 1ΣC∞v
621 F2 Fluorine diatomic 1ΣgD∞h
622 F2- flourine diatomic anion 2ΣuD∞h
623 F2+ flourine diatomic cation 2ΠgD∞h
624 ClF Chlorine monofluoride 1Σ+C∞v
625 ClF+ clorine monofluoride cation 2ΠC∞v
626 Cl2 Chlorine diatomic 1ΣgD∞h
627 Cl2- chlorine diatomic anion 2ΣuD∞h
628 Cl2+ chlorine diatomic cation 2ΠgD∞h
629 BrF Bromine monofluoride 1ΣC∞v
630 Br2 Bromine diatomic 1ΣgD∞h
631 Br2- bromine diatomic anion 2ΣuD∞h
632 Br2+ bromine diatomic cation 2ΠgD∞h
633 HCF Fluoromethylene 1A'Cs
634 HCF Fluoromethylene 3A"Cs
635 HCCl Chloromethylene 1A'Cs
636 HCCl Chloromethylene 3A"Cs
637 HSiF fluorosilylene   
638 HSiCl Chlorosilylene   
639 HSiBr monobromosilylene   
640 CHBr bromomethylene 1A'Cs
641 CHBr bromomethylene 3A"Cs
642 HOF Hypofluorous acid 1A'Cs
643 HOCl hypochlorous acid 1A'Cs
644 HOCl+ hypochlorous acid cation   
645 HOBr Hypobromous acid 1A'Cs
646 HOBr+ Hypobromous acid cation 2A"Cs
647 F2H+ Fluorine, protonated 1A'Cs
648 FHF- Hydrogen difluoride anion 1ΣgD∞h
649 ClFH+ Chlorine fluoride, F-protonated   
650 FClH+ Chlorine fluoride, Cl-protonated   
651 Cl2H+ Chlorine, protonated 1A'Cs
652 CH2Br bromomethyl radical   
653 CH2F fluoromethyl radical 2ACs
654 CH2F+ fluoromethyl cation   
655 CH2Cl+ chloromethyl cation   
656 CH2Cl chloromethyl radical 2B1C2v
657 NH2F monofluoroamine 1A'Cs
658 NH2Cl chloramine 1A'Cs
659 CH3F+ methyl fluoride cation   
660 CD3F methylfluoride-d3 1A1C3v
661 CH3F Methyl fluoride 1A1C3v
662 CD3Cl methyl chloride d3 1A1C3v
663 CH3Cl Methyl chloride 1A1C3v
664 CH3Cl+ Methyl chloride cation   
665 SiH3F monofluorosilane 1A1C3v
666 SiH3Cl chlorosilane 1A1C1
667 CH3Br methyl bromide 1A1C3v
668 GeH3F monofluorogermane   
669 GeH3Cl monochlorogermane   
670 NH3Cl+ protonated monochloroammonia   
671 CH3ClH+ methyl chloride, protonated   
672 NH4Cl Ammonium chloride   
673 LiNe+ Lithium Neon cation   
674 Ne2 Neon diatomic 1ΣgD∞h
675 Ne2+ Neon diatomic cation 2ΣuD∞h
676 Ar2 Argon diatomic 1SgD∞h
677 Ar2+ Argon diatomic cation 2ΣuD∞h
678 Li3 Lithium trimer 2B2C2v
679 Li3+ Lithium trimer cation 1A1'D3h
680 C3 carbon trimer 1ΣgD∞h
681 C3 carbon trimer 1A1C2v
682 SiC2 Silicon dicarbide   
683 C3H4 cyclopropene 1A1C2v
684 CH2CCH2 allene 1A1D2d
685 CH3CCH propyne 1A'C3v
686 C3H5 Allyl radical 2A2C2v
687 CH2CHCH3 Propene 1A'Cs
688 C3H7 n-Propyl radical 2A"C1
689 C3H7+ cyclopropane, protonated   
690 CH3CHCH3 Isopropyl radical 2AC2
691 CH3CHCH3+ Isopropyl cation 1AC2
692 Si3H8 trisilane   
693 LiCN lithium cyanide 1ΣC*V LiCN
694 LiCN lithium cyanide 1A'Cs
695 LiCN lithium cyanide 1ΣC*V LiNC
696 NaCN Sodium Cyanide 1ΣC∞v
697 NaCN Sodium Cyanide 1ACs
698 NaCN Sodium Cyanide 1ΣC∞v
699 ZnCN Zinc monocyanide 2ΣC∞v
700 ZnNC Zinc isocyanide 2ΣC∞v
701 AlCN Aluminum monocyanide   
702 AlNC Aluminum isocyanide   
703 CN2 3H-Diazirin-3-ylidene 1A1C2v
704 CNN Diazocarbene   
705 NCN Cyanoimidogen 3ΣgD∞h
706 NCN Cyanoimidogen 1ΣgD∞h
707 N3 azide radical 2ΠgD∞h
708 N3+ azide cation 3ΣgD∞h
709 N3+ azide cation 3ΣC∞v
710 HN3 hydrogen azide 1A'Cs
711 HN3+ Hydrazoic acid cation   
712 HNCNH diiminomethane 1AC2
713 HNNNH+ 1,2-Triazadienium   
714 NH2NN+ hydrazoic acid, protonated   
715 CH3CN Acetonitrile 1A1C3v
716 HCNCH2+ 2H-Azirine cation   
717 HNCNH2+ diiminomethane, protonated 1A'Cs
718 NH2CNH+ cyanamide, cn protonated   
719 NH3CN+ cyanamide, amine protonated   
720 C2H6N+ aziridine, protonated 1A1C2v
721 Li2O dilithium oxide 1ΣgD∞h
722 Li2O+ dilithium oxide cation 2ΠD∞h
723 Li2S dilithium sulfide 1ΣGD∞h
724 Li2S dilithium sulfide 1A1C2v
725 Na2O disodium monoxide 1ΣgLinear
726 Na2O disodium monoxide 1A1C2v
727 Na2S Sodium sulfide   
728 Na2S Sodium sulfide   
729 LiO2 Lithium dioxide   
730 NaO2 Sodium superoxide   
731 CCO Dicarbon monoxide 3ΣC∞v
732 CCO Dicarbon monoxide 1ΠC∞v
733 NCO isocyanato radical 2ΠC∞v
734 BO2- Boron dioxide anion 1ΣgD∞h
735 BO2+ Boron dioxide cation 3ΣgD∞h
736 N2O Nitrous oxide 1ΣC∞v
737 N2O- Nitrous oxide anion 2A'Cs
738 NNS Nitrogen sulfide 1ΣC∞v
739 CO2 Carbon dioxide 1ΣgD∞h
740 CO2- Carbon dioxide anion 2A1C2v
741 CO2+ Carbon dioxide cation 2ΠC∞v
742 OCS Carbonyl sulfide 1ΣC∞v
743 CS2 Carbon disulfide 1ΣgD∞h
744 CS2- Carbon disulfide anion 2A1C2v
745 TiO2 Titanium dioxide 1A1C2v
746 GeO2 Germanium dioxide 1ΣgD∞h
747 OCSe Carbonyl selenide 1ΣC∞v
748 SCSe Carbon sulfide selenide   
749 GeS2 Germanium disulfide 1ΣGD∞h
750 NO2 Nitrogen dioxide 2A1C2v
751 NO2+ Nitrogen dioxide cation 1ΣGD∞h
752 NSO sulfinyl amidogen   
753 SNO Nitrogen oxide sulfide   
754 O3 Ozone 1A1Cs
755 SO2 Sulfur dioxide 1A1C2v
756 SSO Disulfur monoxide 1A'Cs
757 S3 Sulfur trimer 1A1C2v
758 S3 Sulfur trimer   
759 S3+ Sulfur trimer cation 2B2C2v
760 SeO2 Selenium dioxide 1A1C2v
761 SeO2+ Selenium dioxide cation 2A1C2v
762 HCCO ketenyl radical 2ΠC∞v
763 HCCO ketenyl radical 2A"Cs
764 HCNO fulminic acid 1ΣC∞v
765 HCOO formate neutral radical 2A'Cs
766 HOCO Hydrocarboxyl radical 1A'cis
767 HOCO Hydrocarboxyl radical 1A'trans
768 O3H+ protonated ozone 1A'Cs
769 O3H+ protonated ozone   
770 C2H2O Oxirene 1A1C2v
771 CH2CO Ketene 1A1C2v
772 CH2CS Thioketene   
773 Be(OH)2 Beryllium hydroxide   
774 Mg(OH)2 Magnesium dihydroxide 1AC2
775 Mg(OH)2 Magnesium dihydroxide 1ΣgD∞h
776 NH2NO Nitrosamide 1AC1
777 H2COO Dioxymethyl radical 2A'Cs
778 H2COO+ dioxymethyl cation 2A'Cs
779 HCOOH Formic acid 1A'Cs
780 HCOOH Formic acid   
781 H2O3 Hydrogen trioxide 1AC2
782 CH2BOH hydroxy(methylene)borane 1A'Cs
783 BH3CO Borane carbonyl 1A1C3v
784 CH3BO Borane, methyloxo- 1A1C3v
785 CH2COH+ ketene, protonated   
786 CHONH2 formamide 1A'Planar
787 CHONH2 formamide 1ANon-Planar
788 CNOH3 1,2-oxaziridine 1AC1
789 HOCHNH hydroxymethylimine 1A'CS H all up
790 HOCHNH hydroxymethylimine 1A'CS OH down
791 NHCHSH Methanimidothioic acid   
792 C2H4O Ethylene oxide 1A1C2v
793 C2H4O+ ethylene oxide cation   
794 CH3CHO Acetaldehyde 1A'Cs
795 CH3CHO+ acetaldehyde cation   
796 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
797 C2H4S Thiirane 1A1C2v
798 CH2CHSH Ethenethiol   
799 H2CONH2+ protonated formamide 1A'Cs
800 NH2CHOH+ Formamide, O-protonated   
801 CH3SSH Hydrogen methyl disulfide   
802 HSCH2SH Methanedithiol   
803 C2H4OH+ ethylene oxide, protonated 1A'Cs
804 CH3CH2SH ethanethiol 1A'Cs
805 CH3SCH3 Dimethyl sulfide 1A1C2v
806 CH3SCH3+ dimethyl sulfide cation   
807 CNF iso cyanogen fluoride 1ΣC∞v
808 BrCN Cyanogen bromide 1ΣC∞v
809 FBO Boron monofluoride monoxide   
810 MgF2 Magnesium fluoride 1ΣgD∞h
811 BeBr2 Beryllium bromide   
812 FCO Carbonyl fluoride 2A'Cs
813 FCO+ Carbonyl fluoride cation 1ΣC∞v
814 ClCO carbonyl monochloride 2A'Cs
815 BF2 Boron difluoride radical 2A1C2v
816 FNO Nitrosyl fluoride 1A'Cs
817 ClNO Nitrosyl chloride 1A'Cs
818 FNS Thionitrosyl fluoride 1A'Cs
819 FSN Thiazyl fluoride 1A'Cs
820 OPCl Phosphorus oxychloride   
821 BrNO Nitrosyl bromide 1A'Cs
822 CF2 Difluoromethylene 1A1D∞h
823 CFCl chlorofluoromethylene 1A'Cs
824 SiF2 Silicon difluoride 1A1C2v
825 SiF2 Silicon difluoride 3B1C2v
826 CCl2- dichloromethylene anion 2B1C2v
827 GeF2 Germanium difluoride 1A1C2v
828 GeCl2 Germanium dichloride 1A1C2v
829 FOO+ Fluorine dioxide cation   
830 OClO Chlorine dioxide 2B1D∞h
831 OClO- Chlorine dioxide anion 1A'Cs
832 ClSO Sulfur chloride oxide 2A"Cs
833 BrOO Bromine dioxide   
834 OBrO Bromine dioxide radical 2B1C2v
835 PF2 Phosphorus difluoride   
836 PF2+ Phosphorus difluoride cation   
837 FClO chlorosyl fluoride 1A'Cs
838 ClOF Chlorine hypofluorite 1A'Cs
839 SF2 sulfur difluoride 1A1C2v
840 SF2- sulfur difluoride anion 2A'Cs
841 SF2- sulfur difluoride anion 2ΠD∞h
842 SCl2 Sulfur dichloride 1A1C2v
843 SeF2 Selenium difluoride   
844 BrOCl Bromine hypochlorite 1A'Cs
845 SeCl2 Selenium Dichloride   
846 SBr2 Sulfur dibromide   
847 SeBr2 Selenium dibromide   
848 BrOBr Bromine oxide 1A1C2v
849 Br3- tribromide anion   
850 SFCl Sulfur chloride fluoride   
851 HCCF Fluoroacetylene 1ΣC∞v
852 HFCO+ formyl fluoride cation 2A'Cs
853 COHCl Formyl chloride 1A'Cs
854 COHBr Formyl bromide 1A'Cs
855 CHF2 difluoromethyl radical 2ACs
856 CHF2+ difluoromethyl cation   
857 CHFCl Chlorofluoromethyl radical   
858 CHFCl+ Chlorofluoromethyl cation   
859 CHCl2+ dichloromethyl cation   
860 NHF2 difluoramine   
861 NHCl2 dichloroamine   
862 CH2F2 Methane, difluoro- 1A1C2v
863 SiH2F2 difluorosilane   
864 CH2Cl2 Methylene chloride 1A1C2v
865 CH2BrCl Methane, bromochloro- 1A'Cs
866 CH2Br2 dibromomethane 1A1C2v
867 CH3MgBr Methyl Magnesium Bromide   
868 CH2CHF Ethene, fluoro- 1A'Cs
869 CH2FOH fluoromethanol   
870 KrF2 Krypton difluoride 1ΣGD∞h
871 C4 Carbon tetramer 3ΣgD∞h
872 C4 Carbon tetramer   
873 C4H4 Tetrahedrane   
874 CH3CH2CH2CH3 Butane 1AgAnti
875 Li3N trilithium nitride 1A'D3h
876 C2N2 Cyanogen 1ΣgD∞h
877 As4 Arsenic tetramer 1A1Td
878 HCCCN+ Cyanoacetylene cation 2ΠC∞v
879 H2CNCN cyanamide, methylene   
880 HNCCNH Ethenediimine   
881 CH5N3 Guanidine 1AC1
882 CH7N3 triaminomethane   
883 Na2O2 disodium dioxide   
884 C3O Tricarbon monoxide 1ΣC∞v
885 ONNO NO dimer 1Agtrans C2H
886 ONNO NO dimer 1A1cis C2V
887 S2N2 Disulfur dinitride 1AGD2h
888 NO3- nitrate anion 1A1'D3h
889 SO3 Sulfur trioxide 1A1'D3h
890 SO3-- Sulfate dianion   
891 S4 Sulfur tetramer   
892 S4 Sulfur tetramer   
893 S4 Sulfur tetramer   
894 HNO3 Nitric acid 1A'Cs
895 C3H2O Propadienal   
896 C3H2O Propadienal   
897 C2H2O2 Ethanedial 1AgC2h
898 CH3NO2 Methane, nitro- 1A'Cs
899 H3AlO3 Aluminum hydroxide   
900 CH2CHCHO Acrolein 1A'Cs
901 NH2CONH2 Urea 1A1C2v
902 CH3COCH2 Acetonyl radical 2A"Cs
903 Li2F2 Lithium fluoride dimer   
904 BrONO Bromine nitrite 1A'CS trans
905 CF2O Carbonic difluoride 1A1C2v
906 CF2O+ Carbonic difluoride cation   
907 COFCl Carbonic chloride fluoride 1A'Cs
908 COBr2 Carbonic dibromide 1A1C2v
909 BF3 Borane, trifluoro- 1A'D3h
910 BF3- Borane, trifluoro- anion 2A1C3v
911 BF3+ boron trifluoride cation   
912 AlF3 Aluminum trifluoride 1A1'D3h
913 BCl3 Borane, trichloro- 1A1'D3h
914 BCl3+ Boron Trichloride cation   
915 GaF3 Gallium trifluoride 1A1'D3h
916 CF2Cl difluorochloromethyl radical   
917 CFCl2 dichlorofluoromethyl radical   
918 FOOF Perfluoroperoxide 1AC2
919 ClO2F Chloryl fluoride 1A'Cs
920 SSCl2 Thiothionyl chloride   
921 NF3 Nitrogen trifluoride 1A1C3v
922 NCl3 nitrogen trichloride 1A1C3v
923 SF3 Sulfur trifluoride 2A'Cs
924 HClO3 Chloric Acid 1A'Cs
925 HClO3 Chloric Acid 1AC1
926 CHF3 Methane, trifluoro- 1A1C3v
927 SiHF3 trifluorosilane   
928 CHBrF2 Methane, bromodifluoro- 1A'Cs
929 CHBrCl2 Methane, bromodichloro- 1A'Cs
930 CHClBr2 Methane, dibromochloro- 1A'Cs
931 AsF3H+ Arsenic trifluoride, protonated   
932 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
933 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
934 C2H4F2 1,2-difluoroethane 1AgC2H anti
935 C2H4F2 1,2-difluoroethane 1AC2 gauche
936 CH2CHCH2F Allyl Fluoride   
937 CH3CHCHF trans-1-Fluoro-1-propene   
938 CH3CHFCH3 2-Fluoropropane 1A'Cs
939 C3O2 Carbon suboxide 1ΣGD∞h
940 B2O3 diboron trioxide   
941 B2O3 diboron trioxide   
942 CF3Cl Methane, chlorotrifluoro- 1A1C3v
943 CF2Cl2 difluorodichloromethane 1A1C2v
944 CHCl2CCH 3,3-dichloropropyne   
945 C2H2N2O Furazan   
946 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
947 N2O4 Dinitrogen tetroxide 1AgD2d
948 C3H2O3 vinylene carbonate   
949 C4H6O2 γ–Butyrolactone 1AC1
950 C3H6O3 1,3,5-Trioxane 1A1C1
951 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
952 C6H5CHO benzaldehyde 1A'Cs

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 cation h+  
5 D2 Deuterium diatomic d2  
6 HD Deuterium hydride hd  
7 HeH Helium hydride heh  
8 Na+ Sodium atom cation na+  
9 K Potassium atom k  
10 K- Potassium atom anion k-  
11 K+ Potassium atom cation k+  
12 Cu Copper atom cu  
13 Cu- Copper atom anion cu-  
14 Cu+ Copper atom cation cu+  
15 KH Potassium hydride kh  
16 KH+ Potassium hydrogen cation kh+  
17 CuH Copper monohydride cuh  
18 Ca Calcium atom ca  
19 Ca- Calcium atom anion ca-  
20 Ca+ Calcium atom cation ca+  
21 Zn Zinc atom zn  
22 Zn- Zinc atom anion zn-  
23 Zn+ Zinc atom cation zn+  
24 MgH- magnesium monohydride anion mgh-  
25 MgH+ magnesium monohydride cation mgh+  
26 ZnH Zinc monohydride znh  
27 CaH2 Calcium Hydride cah2  
28 ZnH2 Zinc hydride znh2  
29 AlH aluminum monohydride alh  
30 ScH+ Scandium monohydride cation sch+  
31 BH2 boron dihydride bh2  
32 AlH2 aluminum dihydride alh2  
33 AlH2- aluminum dihydride anion alh2-  
34 AlH2+ aluminum dihydride cation alh2+  
35 BH3- boron trihydride anion bh3-  
36 AlH4- Aluminum tetrahydride anion alh4-  
37 Ti Titanium atom ti  
38 Ti- Titanium atom anion ti-  
39 Ti+ Titanium atom cation ti+  
40 Sn Tin atom sn  
41 Sn+ Tin cation sn+  
42 SiH2- silicon dihydride anion sih2-  
43 SiH2+ silicon dihydride cation sih2+  
44 SiH3- Silyl anion sih3-  
45 CH4+ Methane cation ch4+  
46 SnH4 Stannane snh4  
47 Sb Antimony atom sb  
48 NH Imidogen nh  
49 PH- phosphorus monohydride anion ph-  
50 PH+ phosphorus monohydride cation ph+  
51 SbH Antimony monohydride sbh  
52 ND2 Amidogen-d2 nd2  
53 PH2 Phosphino radical ph2  
54 PH2- Phosphino anion ph2-  
55 PH2+ Phosphino cation ph2+  
56 ND3 Ammonia-d3 nd3  
57 AsH3 Arsine ash3  
58 SbH3 Stibine sbh3  
59 Cr Chromium atom cr  
60 Te Tellurium atom te  
61 Te+ Tellurium atom cation te+  
62 DO Hydroxyl-d od  
63 DS Mercapto-d ds  
64 TeH Telluryl radical teh  
65 D2O Deuterium oxide d2o  
66 D2S Hydrogen sulfide-d2 d2s  
67 H2Te Hydrogen Telluride h2te  
68 Mn Manganese atom mn  
69 I Iodine atom iodine  
70 I- Iodine atom anion iodine-  
71 I+ Iodine atom cation iodine+  
72 DCl Hydrochloric acid-d dcl  
73 HI Hydrogen iodide hi  
74 HI+ Hydrogen iodide cation hi+  
75 H2F+ dihydrogen fluoride cation h2f+  
76 H2I+ Iodonium h2i+  
77 Fe Iron atom fe  
78 Xe Xenon atom xe  
79 XeH+ Xenon, protonated xeh+  
80 Co Cobalt atom cobalt  
81 Ni Nickel atom ni  
82 NaLi- lithium sodium anion lina-  
83 NaLi+ lithium sodium cation lina+  
84 LiK Lithium Potassium lik  
85 NaK Sodium Potassium nak  
86 NaK+ Sodium Potassium diatomic cation nak+  
87 K2 Potassium diatomic k2  
88 Cu2 Copper diatomic cu2  
89 Mg2- magnesium diatomic anion mg2-  
90 Mg2+ magnesium diatomic cation mg2+  
91 Al2 Aluminum diatomic al2  
92 Al2- aluminum diatomic anion al2-  
93 Al2+ aluminum diatomic cation al2+  
94 BGa Boron Gallium bga  
95 Ga2H6 digallane ga2h6  
96 SiC- silicon monocarbide anion sic-  
97 SiC+ silicon monocarbide cation sic+  
98 Si2 Silicon diatomic si2  
99 Si2- silcon diatomic anion si2-  
100 Si2+ silcon diatomic cation si2+  
101 C2H+ Ethynyl cation c2h+  
102 ZnCH2 Zinc methylene znch2  
103 CCH2 vinylidene vinylidene  
104 CuCH3 monomethyl copper cuch3  
105 ZnCH3 Zinc monomethyl znch3  
106 C2H4- Ethylene anion c2h4-  
107 CH3CH methylmethylene ch3ch  
108 CH2SiH2 silaethylene ch2sih2  
109 C2H5+ Ethyl cation c2h5+  
110 CH3SiH3 methyl silane ch3sih3  
111 AlN- aluminum mononitride anion aln-  
112 AlN+ aluminum mononitride cation aln+  
113 GaP Gallium monophosphide gap  
114 AlN Aluminum nitride aln  
115 CP Carbon monophosphide cp  
116 CP- carbon monophosphide anion cp-  
117 CP+ carbon monophosphide cation cp+  
118 SiN Silicon nitride sin  
119 SiN- silicon mononitride anion sin-  
120 SiN+ silicon mononitride cation sin+  
121 SiP+ Silicon monophosphide cation sip+  
122 TiN Titanium mononitride tin  
123 PN- phosphorus nitride anion pn-  
124 PN+ phosphorus nitride cation pn+  
125 P2- phosphorus diatomic anion p2-  
126 P2+ phosphorus diatomic cation p2+  
127 SbN Antimony nitride sbn  
128 As2 Arsenic diatomic as2  
129 HNB hydrogen nitrogen boron hnb  
130 HNC hydrogen isocyanide hnc  
131 HCN- Hydrogen cyanide anion hcn-  
132 HCP Phosphaethyne hcp  
133 NNH Dinitrogen monohydride nnh  
134 HPO Hydrogen phosphorus oxide hpo  
135 HPO+ Hydrogen phosphorus oxide cation hpo+  
136 P2H4 Diphosphine p2h4  
137 CH3PH2 Methyl phosphine ch3ph2  
138 CH3NH3+ protonated methylamine ch3nh3+  
139 NaO- sodium oxide anion nao-  
140 KO Potassium monoxide ko  
141 KO+ Potassium monoxide cation ko+  
142 CuO Copper Monoxide cuo  
143 BeO- Beryllium monoxide anion beo-  
144 BeS beryllium sulfide bes  
145 MgO magnesium oxide mgo  
146 MgO- magnesium oxide anion mgo-  
147 MgO+ magnesium oxide cation mgo+  
148 MgS magnesium sulfide mgs  
149 MgS- magnesium sulfide anion mgs-  
150 MgS+ magnesium sulfide cation mgs+  
151 CaS Calcium sulfide cas  
152 ZnO zinc monoxide zno  
153 BeS- Beryllium monosulfide anion bes-  
154 BeS+ Beryllium monosulfide cation bes+  
155 AlO Aluminum monoxide alo  
156 AlO- Aluminum monoxide anion alo-  
157 BS boron sulfide bs  
158 BS- boron monosulfide anion bs-  
159 BS+ boron monosulfide cation bs+  
160 AlS Aluminum sulfide als  
161 AlS+ aluminum monosulfide cation als+  
162 CS carbon monosulfide cs  
163 CS- carbon monosulfide anion cs-  
164 CS+ carbon monosulfide cation cs+  
165 SiO- silicon monoxide anion sio-  
166 SiO+ silicon monoxide cation sio+  
167 SiS- silicon monosulfide anion sis-  
168 SiS+ silicon monosulfide cation sis+  
169 CSe- Carbon monoselenide anion cse-  
170 CSe+ Carbon monoselenide cation cse+  
171 NS+ nitrogen sulfide cation ns+  
172 PO- phosphorus monoxide anion po-  
173 PO+ phosphorus monoxide cation po+  
174 PS- phosphorus monosulfide anion ps-  
175 PS+ phosphorus monosulfide cation ps+  
176 AsO Arsenic monoxide aso  
177 SO- sulfur monoxide anion so-  
178 S2- sulfur diatomic anion s2-  
179 S2+ sulfur diatomic cation s2+  
180 SeO- selenium monoxide anion seo-  
181 SeO+ selenium monoxide cation seo+  
182 SeS Selenium monosulfide ses  
183 SeS- selenium monosulfide anion ses-  
184 SeS+ selenium monosulfide cation ses+  
185 TeO Tellurium monoxide teo  
186 Se2- selenium diatomic anion se2-  
187 Se2+ selenium diatomic cation se2+  
188 Te2 Tellurium diatomic te2  
189 NaOH sodium hydroxide naoh  
190 KOH Potassium hydroxide koh  
191 MgOH magnesium hydroxide mgoh  
192 CaOH Calcium monohydroxide caoh  
193 HCS Thioformyl radical hcs  
194 HCS- Thioformyl anion hcs-  
195 HCS+ Thioformyl cation hcs+  
196 HO2- Hydroperoxy anion ho2-  
197 CH3O Methoxy radical ch3o  
198 CH3S thiomethoxy ch3s  
199 NH3S sulfidoazane nh3s  
200 H3O2+ hydrogen peroxide, protonated h3o2+  
201 CH3SeH Methane selenol ch3seh  
202 CH3SH2+ protonated methylsulfide ch3sh2+  
203 H2ONH3 Water Ammonia Dimer h2onh3  
204 KF Potassium Fluoride kf  
205 NaCl- sodium chloride anion nacl-  
206 KCl Potassium Chloride kcl  
207 CuF Copper monofluoride cuf  
208 LiBr- lithium bromide anion libr-  
209 LiBr+ lithium bromide cation libr+  
210 CuCl Copper monochloride cucl  
211 NaBr Sodium Bromide nabr  
212 NaBr- sodium bromide anion nabr-  
213 NaBr+ sodium bromide cation nabr+  
214 KBr Potassium Bromide kbr  
215 LiI Lithium Iodide lii  
216 NaI Sodium Iodide nai  
217 KI Potassium Iodide ki  
218 BeF Beryllium monofluoride bef  
219 BeCl beryllium monochloride becl  
220 MgF Magnesium monofluoride mgf  
221 MgF- magnesium fluoride anion mgf-  
222 CaF Calcium monofluoride caf  
223 MgCl magnesium monochloride mgcl  
224 MgCl- magnesium monochloride anion mgcl-  
225 MgCl+ magnesium monochloride cation mgcl+  
226 CaCl calcium monochloride cacl  
227 TiCl Titanium Monochloride ticl  
228 ZnF- Zinc monofluoride anion znf-  
229 ZnF+ Zinc monofluoride cation znf+  
230 ZnCl Zinc monochloride zncl  
231 BeCl- beryllium monochloride anion becl-  
232 BeCl+ beryllium monochloride cation becl+  
233 AlF- Aluminum monofluoride anion alf-  
234 AlF+ Aluminum monofluoride cation alf+  
235 BCl boron monochloride bcl  
236 BCl- boron monochloride anion bcl-  
237 BCl+ boron monochloride cation bcl+  
238 AlCl- aluminum monochloride anion alcl-  
239 AlCl+ aluminum monochloride cation alcl+  
240 AlI Aluminum monoiodide ali  
241 CF- carbon monofluoride anion cf-  
242 CCl carbon monochloride ccl  
243 CCl- carbon monochloride anion ccl-  
244 CCl+ carbon monochloride cation ccl+  
245 SiCl- silicon monochloride anion sicl-  
246 SiCl+ silicon monochloride cation sicl+  
247 NF nitrogen fluoride nf  
248 NCl- nitrogen monochloride anion ncl-  
249 PF phosphorus monofluoride pf  
250 PF- phosphorus monofluoride anion pf-  
251 PF+ phosphorus monofluoride cation pf+  
252 PCl phosphorus chloride pcl  
253 PCl- phosphorus monochloride anion pcl-  
254 PCl+ phosphorus monochloride cation pcl+  
255 SbF Antimony monofluoride sbf  
256 SbCl Antimony monochloride sbcl  
257 ClO- chlorine monoxide anion clo-  
258 SF- sulfur monofluoride anion sf-  
259 SCl- sulfur monochloride anion scl-  
260 IO Iodine monoxide io  
261 ClF- clorine monofluoride anion clf-  
262 BrF- bromine fluoride anion brf-  
263 BrF+ bromine fluoride cation brf+  
264 BrCl- bromine chloride anion brcl-  
265 BrCl+ bromine chloride cation brcl+  
266 IF Iodine monofluoride if  
267 ICl Iodine monochloride icl  
268 IBr Iodine monobromide ibr  
269 I2 Iodine diatomic i2  
270 I2+ Iodine diatomic cation i2+  
271 DOCl Hypochlorous acid-d docl  
272 HOI Hypoiodous acid hoi  
273 FHF Hydrogen difluoride fhf  
274 H2F2 Hydrogen fluoride dimer h2f2  
275 SiH3Br bromosilane sih3br  
276 CH3I methyl iodide ch3i  
277 SiH3I Silyl Iodide sih3i  
278 C3+ carbon trimer cation c3+  
279 C3H3 cyclopropenyl radical cpr  
280 C3H3 Propargyl radical propargyl  
281 C3H3- Propargyl anion c3h3-  
282 C3H3+ cyclopropenyl cation cpr+  
283 C3H3+ Propargyl cation c3h3+  
284 C3H5+ Allyl cation allyl+  
285 CH3CHCH 1-propenyl radical ch3chch  
286 Zn(CH3)2 dimethyl zinc dmz  
287 C3H6 Cyclopropane c3h6  
288 C3H8 Propane propane  
289 SiH2(CH3)2 dimethylsilane dms  
290 KCN Potassium cyanide kcn  
291 CuCN Copper cyanide cucn  
292 N3- azide anion n3-  
293 HCCN cyanomethylene hccn  
294 HCNN diazomethyl radical hcnn  
295 CH2N2 diazirine ch2n2  
296 CH2NN diazomethane ch2nn  
297 NH2CN cyanamide cyanamide  
298 CH3CN- acetonitrile anion ch3cn-  
299 CH3CN+ Acetonitrile cation ch3cn+  
300 CH3NC methyl isocyanide ch3nc  
301 CHNCH2 2H-Azirine c157164  
302 CHNHCH 1H-Azirine chnhch  
303 H2CCNH Ethenimine ch2cnh  
304 H2CNCH methyleneaminomethylene ch2nch  
305 HCCNH2 Ethynamine hccnh2  
306 NCNH3+ Cyanamide, protonated ncnh3+  
307 CH2CHNH vinylazine ch2chnh  
308 CH3CHN methylmethaniminyl radical ch3chn  
309 NHCHNH2 aminomethanimine cn2h4  
310 C2H5N Aziridine c2h5n  
311 CH2CHNH2 aminoethene aminoethene  
312 CH2NCH3 N-methylmethanimine nmm  
313 CH3CHNH ethanimine ethanimine  
314 NH2BHNH2 diaminoborane nh2bhnh2  
315 C2H5NH+ Protonated Aziridine c2h5nh+  
316 NH2CH2NH2 diaminomethane nh2ch2nh2  
317 CH3CH2NH2 Ethylamine etam  
318 CH3NHCH3 Dimethylamine ch3nhch3  
319 CH3PHCH3 dimethylphosphine ch3phch3  
320 NH2CH2NH3+ diaminoethane, protonated pdam  
321 (CH3)2NH2+ dimethylammonium cation dmam  
322 CH3CH2NH3+ ethylamine, protonated pea  
323 CNO- fulminate cno-  
324 NCO- cyanate nco-  
325 SCN thiocyanato radical scn  
326 SCN- thiocyanide anion scn-  
327 BO2 Boron dioxide bo2  
328 N2O+ Nitrous oxide cation n2o+  
329 PPO Phosphorus oxide phosphide ppo  
330 OCS+ Carbonyl sulfide cation cos+  
331 SiO2 silicon dioxide sio2  
332 CS2+ Carbon disulfide cation cs2+  
333 SiS2 Silicon disulfide sis2  
334 CSe2 Carbon diselenide cse2  
335 SCTe Carbon sulfide Telluride scte  
336 NO2- Nitrogen dioxide anion no2-  
337 PO2 Phosphorus dioxide po2  
338 PO2- Phosphorus dioxide anion po2-  
339 PO2+ Phosphorus dioxide cation po2+  
340 AsO2 Aresenic dioxide aso2  
341 O3- Ozone anion o3-  
342 O3+ Ozone cation o3+  
343 SO2- Sulfur dioxide anion so2-  
344 SO2+ Sulfur dioxide cation so2+  
345 S3- Sulfur trimer anion s3-  
346 TeO2 Tellurium Dioxide teo2  
347 CS2H+ Carbon disulfide, protonated cs2h+  
348 HNCO Isocyanic acid hnco  
349 HOCN cyanic acid hocn  
350 HNCS Isothiocyanic acid hncs  
351 HSCN thiocyanic acid hscn  
352 HCO2- formate anion hco2-  
353 HNNO nitrosoazane hnno  
354 HNNO+ Nitrous oxide, N-protonated hnno+  
355 NNOH+ Nitrous Oxide, O-protonated nnoh+  
356 HOCO+ Hydrocarboxyl cation hoco+  
357 HNO2 Nitrous acid hno2  
358 HNO2+ nitrous acid cation hno2+  
359 SO2H+ protonated sulfur dioxide so2h+  
360 CH2CO+ Ketene cation ch2co+  
361 HCCOH ethynol hccoh  
362 CH2O2 Dioxirane diox  
363 HSSSH trisulfane hsssh  
364 NaOCH3 Sodium methoxide naoch3  
365 CH2CHO Vinyloxy radical ch2cho  
366 CH3CO Acetyl radical ch3co  
367 CH3CO- Acetyl anion ch3co-  
368 CH3CO+ acetyl cation ch3co+  
369 CH2NOH formaldoxime ch2noh  
370 CH3NO nitrosomethane ch3no  
371 CHSNH2 thioformamide chsnh2  
372 CH2OOH CH2OOH radical ch2ooh  
373 CH3OO methylperoxy radical ch3oo  
374 CH3OO- methylperoxy anion ch3oo-  
375 CH3OO+ methylperoxy cation ch3oo+  
376 CH2CHOH ethenol ch2choh  
377 CH3CHS Thioacetaldehyde ch3chs  
378 NH3CHO+ Formamide, N-Protonated nh3cho+  
379 CH2(OH)2 methanediol ch2o2h2  
380 CH3OOH Methyl peroxide ch3ooh  
381 H2OH2CO water formaldehyde dimer h2oh2co  
382 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
383 CH3CH2O Ethoxy radical ethoxy  
384 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
385 CH3CHOH+ acetaldehyde, protonated ch3choh+  
386 CH3OCH2 methoxymethyl radical ch3och2  
387 NH2CH2OH aminomethanol nh2ch2oh  
388 CH3CH2OH Ethanol etoh  
389 CH3OCH3 Dimethyl ether meome  
390 CH3SeCH3 dimethylselenide dmse  
391 CH3OHH2O methanol water dimer ch3ohh2o  
392 H2OCH3OH water methanol dimer h2och3oh  
393 CuF2 Copper difluoride cuf2  
394 ZnF2 Zinc difluoride znf2  
395 FCN Cyanogen fluoride fcn  
396 ClCN chlorocyanogen clcn  
397 ICN Cyanogen iodide icn  
398 BeF2 Beryllium fluoride bef2  
399 BeCl2 Beryllium chloride becl2  
400 MgCl2 Magnesium dichloride mgcl2  
401 CaCl2 Calcium Chloride cacl2  
402 ZnCl2 Zinc dichloride zncl2  
403 CaBr2 Calcium dibromide cabr2  
404 CaF2 Calcium difluoride caf2  
405 INO Nitrosyl iodide ino  
406 CF2- Difluoromethylene anion cf2-  
407 CF2+ Difluoromethylene cation cf2+  
408 SiF2+ Silicon difluoride cation sif2+  
409 CCl2 dichloromethylene ccl2  
410 CCl2+ dichloromethylene cation ccl2+  
411 SiCl2 Dichlorosilylene sicl2  
412 CBr2 dibromomethylene cbr2  
413 FOO Dioxygen monofluoride radical foo  
414 ClOO chloroperoxy radical cloo  
415 ClOO+ chloroperoxy cation cloo+  
416 OClO+ Chlorine dioxide cation oclo+  
417 ClS2 Sulfur chloride cls2  
418 NF2 Difluoroamino radical nf2  
419 NF2+ Difluoroamino cation nf2+  
420 F2O Difluorine monoxide f2o  
421 SF2+ sulfur difluoride cation sf2+  
422 Cl2O Dichlorine monoxide cl2o  
423 F3- trifluoride anion f3-  
424 Cl3- trichloride anion cl3-  
425 I3- triiodide i3-  
426 HCCF+ fluoroacetylene cation hccf+  
427 HCCCl Chloroacetylene hcccl  
428 HCCBr bromoacetylene hccbr  
429 HFCO formyl fluoride hfco  
430 BHF2 Difluoroborane bhf2  
431 BHCl2 Borane, dichloro- bhcl2  
432 CHCl2 dichloromethyl radical chcl2  
433 CHBr2 dibromomethyl radical chbr2  
434 HOClO Chlorous acid hoclo  
435 CH2FCl fluorochloromethane ch2fcl  
436 CH2BrF Methane, bromofluoro- ch2fbr  
437 CH2FI fluoroiodomethane ch2fi  
438 CH2ClI chloroiodomethane ch2cli  
439 CH2BrI bromoiodomethane ch2bri  
440 CH2I2 Diiodomethane ch2i2  
441 SiH2Cl2 dichlorosilane sih2cl2  
442 CH2CHF+ fluoroethene cation ch2chf+  
443 C2H3Cl Ethene, chloro- ch2chcl  
444 C2H3Br vinyl bromide c2h3br  
445 C2H3I Vinyl iodide c2h3i  
446 CH3OCl methyl hypochlorite ch3ocl  
447 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
448 CHClCH3 1-chloroethyl radical chclch3  
449 C2H5F fluoroethane c2h5f  
450 CH3CH2Cl Ethyl chloride c2h5cl  
451 CH3SiFH2 fluoromethylsilane ch3sifh2  
452 C2H5Br Ethyl bromide etbr  
453 C2H5I Ethyl iodide c2h5i  
454 XeF2 Xenon difluoride xef2  
455 B4H10 Tetraborane(10) b4h10  
456 C4+ Carbon tetramer cation c4+  
457 C4H2 Diacetylene c4h2  
458 C4H2+ diacetlyene cation c4h2+  
459 C2H3CCH 1-Buten-3-yne c2h3cch  
460 C4H4 cyclobutadiene cbd  
461 H2CCCCH2 Butatriene h2cccch2  
462 C4H6 1-Methylcyclopropene c3100047  
463 C4H6 Cyclobutene c822355  
464 C4H6 Methylenecyclopropane c6142730  
465 CH2CCHCH3 1,2-Butadiene butad12  
466 CH2CHCHCH2 1,3-Butadiene c106990  
467 CH3CCCH3 2-Butyne c503173  
468 CHCCH2CH3 1-Butyne c107006  
469 CH3CHCHCH2 methylallyl radical c4h7  
470 C4H8 methylcyclopropane mcp  
471 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
472 CH2CHCH2CH3 1-Butene bute1  
473 CH3CHCHCH3 2-Butene, (E)- bute2e  
474 CH3CHCHCH3 2-Butene, (Z)- bute2z  
475 B(CH3)3 trimethylborane bme3  
476 Al(CH3)3 trimethyl aluminum tma  
477 C(CH3)3 Tert-butyl radical tbutyl  
478 CH2CH(CH3)2 Isobutyl radical isobutyl  
479 CH3CHCH2CH3 2-Butyl radical butyl2  
480 CH3CH(CH3)CH3 Isobutane isobutane  
481 SiH(CH3)3 trimethylsilane trimsi  
482 C2N2+ Cyanogen cation c2n2+  
483 P4 Phosphorus tetramer p4  
484 HCCCN Cyanoacetylene hcccn  
485 C3H3N acrylonitrile ch2chcn  
486 C3H3N+ acrylonitrile cation ch2chcn+  
487 CH3N3 methyl azide ch3n3  
488 NH2CCNH2 Diaminoacetylene daa  
489 NH2CH2CN Aminoacetonitrile aan  
490 CH3NHN2+ methyl azide, protonated ch3nhn2+  
491 C2H5CN ethyl cyanide c2h5cn  
492 C4H6 Bicyclo[1.1.0]butane c157335  
493 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
494 H2NCHCHNH2 diaminoethylene dae  
495 CH6N3+ guanidinium ch6n3+  
496 C3H7N Cyclopropylamine cpram  
497 C3H7N Azetidine azet  
498 C4H8 cyclobutane cbutane  
499 C2H8N2 Ethylenediamine ethdiam  
500 CH3NHNHCH3 dimethyl hydrazine dmh  
501 CH3CH(NH2)CH3 2-Propanamine pram2  
502 N(CH3)3 Trimethylamine trimeam  
503 NH2CH2CH2CH3 1-Propanamine pram1  
504 P(CH3)3 trimethylphosphine tmp  
505 N(SiH3)3 trisilylamine tsa  
506 As(CH3)3 trimethyl arsine tmas  
507 (CH3)3NH+ protonated trimethyl amine ptma  
508 C3H7NH3+ n-propylamine, protonated c3h7nh2  
509 Li2O2 dilithium dioxide li2o2  
510 K2O2 dipotassium dioxide k2o2  
511 B2O2 Diboron dioxide b2o2  
512 CO3 Carbon trioxide co3  
513 CO3-- carbonate co3--  
514 CS3-- Carbonotrithioate cs3--  
515 NO3 Nitrogen trioxide no3  
516 NO3+ nitrogen trioxide cation no3+  
517 SO3- Sulfur trioxide anion so3-  
518 SO3+ Sulfur trioxide cation so3+  
519 SeO3 selenium trioxide seo3  
520 TeO3 Tellurium trioxide teo3  
521 HCO3- bicarbonate anion hco3-  
522 HSO3 Hydroxysulfonyl radical hso3  
523 NH2NO2 nitramide nh2no2  
524 C2H2CO cyclopropenone c2h2co  
525 HCCCHO 2-propynal hcccho  
526 C2H2O2+ Ethanedial cation c2h2o2+  
527 H2CO3 Carbonic acid h2co3  
528 H2CS3 thiocarbonic acid h2cs3  
529 H2NO3+ Nitric Acid, Protonated h2no3+  
530 H2SO3 Sulfurous acid h2so3  
531 C2H3NO Nitrosoethylene c2h3no  
532 CH3NCO methylisocyante ch3nco  
533 HOCH2CN cyanomethanol hoch2cn  
534 CH3COO- acetate anion ch3coo-  
535 CH3ONO Methyl nitrite ch3ono  
536 NH2COOH Carbamic acid nh2cooh  
537 H3BO3 Boric acid h3bo3  
538 H3CO3+ carbonic acid, protonated h3co3+  
539 C3H4O 2-Propyn-1-ol c107197  
540 C3H4O allenol c9000071  
541 C3H4O Cyclopropanone cpone  
542 C3H4O Methylketene c6004440  
543 NH2CONH2+ Urea cation urea+  
544 NH2CSNH2 Thiourea thiourea  
545 C2H4O2 1,3-dioxetane c2h4o2  
546 CH3COOH Acetic acid ch3cooh  
547 CH3OCHO methyl formate ch3ocho  
548 CHOCH2OH hydroxy acetaldehyde haa  
549 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
550 NH3COOH+ protonated Carbamic acid nh3cooh+  
551 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
552 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
553 HCOOHH2O Formic acid water dimer hcoohh2o  
554 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
555 CH2C(OH)NH2 1-amino vinyl alchohol ava  
556 CH3C(OH)=NH Ethaninidic acid eia  
557 CH3CHNOH Acetaldoxime acetaldoxime  
558 CH3CONH2 Acetamide acetamide  
559 HCONHCH3 N-methylformamide nmfa  
560 CH3CSNH2 Ethanethioamide ch3csnh2  
561 CH5N2O+ urea, N-protonated ch4n2o+  
562 H2NCOHNH2+ urea, protonated ureah+  
563 C2H5OO ethylperoxy radical c2h5oo  
564 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
565 C3H5OH Cyclopropanol cproh  
566 C3H6O 2-Propen-1-ol c107186  
567 C3H6O Acetone enol enol  
568 C3H6O Oxetane oxetane  
569 C3H6O Propylene oxide prox  
570 CH3CH2CHO Propanal propanal  
571 CH3COCH3 Acetone acetone  
572 CH3COCH3- acetone anion ch3coch3-  
573 C3H6S Thietane thietane  
574 C3H6S Thiirane, methyl- methiirane  
575 CH3CSCH3 Thioacetone ch3csch3  
576 C2H6O2 1,2-Ethanediol ethdiol  
577 CH3OOCH3 dimethylperoxide dmp  
578 CH3SOCH3 Dimethyl sulfoxide dmso  
579 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
580 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
581 CH3COHCH3+ acetone, protonated acetoneh+  
582 HOCH2CH2NH2 monoethanolamine mea  
583 C3H7OH 1-Propanol proh  
584 CH3CHOHCH3 Isopropyl alcohol isoproh  
585 CH3OC2H5 Ethane, methoxy- etome  
586 C3H7SH 1-Propanethiol prsh  
587 CH3CHSHCH3 2-Propanethiol isoprsh  
588 CH3SCH2CH3 Ethane, (methylthio)- etsme  
589 H2OCH3OCH3 water dimethylether dimer h2och3och3  
590 Na2F2 Sodium Fluoride Dimer na2f2  
591 Na2Cl2 Disodium dichloride na2cl2  
592 C2F2 difluoroacetylene c2f2  
593 C2Cl2 dichloroacetylene c2cl2  
594 C2Cl2+ dichloroacetylene cation c2cl2+  
595 FNO2 Nitryl fluoride fno2  
596 FONO Nitrosyl hypofluorite fono  
597 ClNO2 Nitryl chloride clno2  
598 ClONO chlorine nitrite clono  
599 N2F2 (Z)-Difluorodiazene n2f2_z  
600 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
601 CCl2O Phosgene cl2co  
602 Cl2CS Thiophosgene cl2cs  
603 BClF2 Chlorodifluoroborane bclf2  
604 AlF2Cl Aluminum chloride difluoride alclf2  
605 ScF3 Scandium trifluoride ScF3  
606 AlFCl2 Aluminum dichloride fluoride alcl2f  
607 AlCl3 Aluminum trichloride alcl3  
608 GaCl3 Gallium trichloride gacl3  
609 BBr3 Boron tribromide bbr3  
610 AlBr3 Aluminum Bromide albr3  
611 ClO3 Chlorine trioxide clo3  
612 ClO3- chlorate anion clo3-  
613 BrO3- Bromate anion bro3-  
614 CF3 Trifluoromethyl radical cf3  
615 CF3- Trifluoromethyl anion cf3-  
616 CF3+ Trifluoromethyl cation cf3+  
617 SiF3 Silicon trifluoride radical sif3  
618 SiF3+ Silicon trifluoride cation sif3+  
619 CCl3 Trichloromethyl radical ccl3  
620 CCl3- Trichloromethyl anion ccl3-  
621 CCl3+ Trichloromethyl cation ccl3+  
622 SiCl3 trichlorosilyl radical sicl3  
623 SiCl3+ trichlorosilyl cation sicl3+  
624 CBr3 tribromomethyl radical cbr3  
625 F2SO Thionyl Fluoride f2so  
626 ClOOCl Dichlorine dioxide cloocl  
627 FSSF Difluorodisulfane fssf  
628 S2F2 Thio-thionyl fluoride s2f2  
629 SOCl2 thionyl chloride socl2  
630 SeOCl2 selenium oxychloride seocl2  
631 NF3- Nitrogen trifluoride anion nf3-  
632 NF3+ Nitrogen trifluoride cation nf3+  
633 PF3 Phosphorus trifluoride pf3  
634 AsF3 Arsenic trifluoride asf3  
635 PCl3 Phosphorus trichloride pcl3  
636 SbF3 Antimony Trifluoride sbf3  
637 AsCl3 Arsenous trichloride ascl3  
638 SbCl3 Antimony Trichloride sbcl3  
639 NBr3 Nitrogen Tribromide nbr3  
640 PBr3 Phosphorus tribromide pbr3  
641 AsBr3 Arsenic tribromide asbr3  
642 NI3 Nitrogen triiodide ni3  
643 PI3 Phosphorus triiodide pi3  
644 ClSSCl Disulfur dichloride s2cl2  
645 ClF3 Chlorine trifluoride clf3  
646 BrF3 Bromine trifluoride brf3  
647 IF3 iodone trifluoride if3  
648 CHF2Cl difluorochloromethane chf2cl  
649 CHFCl2 fluorodichloromethane chfcl2  
650 CDCl3 trichloromethane-d cdcl3  
651 CHCl3 Chloroform chcl3  
652 SiHCl3 Trichlorosilane sihcl3  
653 CHFClBr fluorochlorobromomethane chfclbr  
654 CHF2I difluoroiodomethane chf2i  
655 CHBr2F dibromofluoromethane chbr2f  
656 CHFClI fluorochloroiodomethane chfcli  
657 CHCl2I dichloroiodomethane chcl2i  
658 CHBr3 bromoform chbr3  
659 CHI3 Iodoform chi3  
660 NF3H+ protonated nitrogen trifluoride nf3h+  
661 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
662 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
663 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
664 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
665 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
666 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
667 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
668 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
669 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
670 C2H2Br2 1,1-dibromoethene c2h2br2  
671 CH2FCHO Fluoroacetaldehyde ch2fcho  
672 CH3COF Acetyl fluoride ch3cof  
673 CH2ClCHO chloroacetaldehyde ch2clcho  
674 CH3COCl Acetyl Chloride ch3cocl  
675 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
676 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
677 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
678 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
679 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
680 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
681 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
682 CH2CFCH3 2-fluoropropene 2fpro  
683 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
684 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
685 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
686 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
687 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
688 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
689 CH2FCH2CH3 1-Fluoropropane prf1  
690 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
691 CH3CHClCH3 Propane, 2-chloro- prcl2  
692 CH3CH2CH2Br n-propyl bromide prbr  
693 CH3CHBrCH3 i-propyl bromide iprbr  
694 C3H9O+ trimethyl oxonium cation c3h9o+  
695 B5H9 pentaborane9 b5h9  
696 C5H4 pentatetraene ptrene  
697 C5H5 cyclopentadienyl radical c5h5  
698 C5H5- cylopentadienyl anion c5h5-  
699 C5H6 1,3-Cyclopentadiene c542927  
700 C5H6 1-Buten-3-yne, 2-methyl- c78808  
701 C5H6 3-Penten-1-yne, (E)- c2004695  
702 C5H6 3-Penten-1-yne, (Z)- c1574409  
703 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
704 C5H6 Cyclopropylacetylene c6746947  
705 C5H6 Propellane propellane  
706 C5H7 1,3-pentadienyl radical pdyl  
707 C5H7 cyclopentenyl radical cpyl  
708 C5H8 1,2-Butadiene, 3-methyl- c598254  
709 C5H8 1,2-Pentadiene c591957  
710 C5H8 1,3-Butadiene, 2-methyl- c78795  
711 C5H8 1,3-Pentadiene, (E)- c2004708  
712 C5H8 1,3-Pentadiene, (Z)- c1574410  
713 C5H8 1,4-Pentadiene c591935  
714 C5H8 1-pentyne a1pentyne  
715 C5H8 2,3-Pentadiene c591968  
716 C5H8 Bicyclo[1.1.1]pentane bcp  
717 C5H8 Cyclobutane, methylene- c1120565  
718 C5H8 Cyclopentene c142290  
719 C5H8 Ethenylcyclopropane c693867  
720 CH3CCCH2CH3 2-Pentyne 2pentyne  
721 C5H10 1-Butene, 2-methyl- c563462  
722 C5H10 2-Butene, 2-methyl- c513359  
723 C5H10 2-Pentene, (E)- c646048  
724 C5H10 2-Pentene, (Z)- c627203  
725 C5H10 Cyclopentane c287923  
726 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
727 CH2CHCH2CH2CH3 1-pentene pentene  
728 C5H11 2-Methylbut-2-yl radical c4348350  
729 C5H12 Butane, 2-methyl- buta2  
730 C5H12 Pentane pentane  
731 C5H12 Propane, 2,2-dimethyl- neopentane  
732 Si(CH3)4 tetramethylsilane tms  
733 N2O3 Dinitrogen trioxide n2o3  
734 C3H2N2 Malononitrile c3h2n2  
735 CH2N4 1H-Tetrazole 1htz  
736 C3H3N2 imidazolyl radical im  
737 C3H3N2- imidizolyl anion im-  
738 C2H3N3 1H-1,2,4-Triazole c288880  
739 C4H4N pyrrolide radical c4h4n  
740 C4H4N- pyrrolide anion c4h4n-  
741 C3H4N2 1H-Imidazole 1himidaz  
742 C3H4N2 1H-Pyrazole 1hpyraz  
743 C3H4N2 2H-Imidazole imid2h  
744 C3H4N2 4H-Imidazole imid4h  
745 C4H5N (E)-2-Butenenitrile c627269  
746 C4H5N (Z)-2-Butenenitrile c1190767  
747 C4H5N 2H-pyrrole pyrrole2  
748 C4H5N 3H-pyrrole pyrrole3  
749 C4H5N Cyclopropanecarbonitrile c5500210  
750 C4H5N Pyrrole pyrrole  
751 CH2CHCH2CN Allylcyanide ch2chch2cn  
752 C4H6N+ pyrrole, alpha-protonated appyr  
753 C4H6N+ pyrrole, beta-protonated bppyr  
754 C4H6N+ pyrrole, protonated ppyr  
755 C3H6N2 3-Aminopropionitrile c151188  
756 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
757 CH3CH2CH2CN Butanenitrile c109740  
758 C5H8 Bicyclo[2.1.0]pentane c185944  
759 C5H8 Spiropentane c157404  
760 C4H9N Cyclobutylamine cbam  
761 C4H9N Pyrrolidine pyrrolidine  
762 C3H10N2 1,2-Diaminopropane diampr12  
763 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
764 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
765 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
766 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
767 NH(C2H5)2 diethylamine dea  
768 NC4H12+ tetramethyl ammonium cation nc4h12+  
769 C3O2+ Carbon suboxide cation c3o2+  
770 MgCO3 Magnesium Carbonate mgco3  
771 BeCO3 Beryllium Carbonate beco3  
772 CaCO3 Calcium Carbonate caco3  
773 ONONO Nitrosyl nitrite onono  
774 PO4--- phosphate po4---  
775 SO4-- sulfate so4--  
776 HOONO2 peroxy nitric acid hoono2  
777 HSO4- bisulfate anion hso4-  
778 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
779 C3H2O2 Propiolic acid c3h2o2  
780 CHOCOOH oxo acetic acid oaa  
781 CHOOCHO diformyl ether choocho  
782 H2SO4 Sulfuric acid h2so4  
783 H2SeO4 Selenic acid h2seo4  
784 C3H3NO Oxazole oxazole  
785 C3H3NS Thiazole thiazole  
786 CH3C(O)OO acetyl peroxy radical ch3coo2  
787 CH3NO3 Methyl nitrate ch3no3  
788 H3PO4 Phosphoric Acid h3po4  
789 C4H4O Furan furan  
790 C4H4O+ Furan cation furan+  
791 CH3COCCH 3-butyn-2-one c1423605  
792 C4H4S Thiophene furans  
793 C4H4Se selenophene c4h4se  
794 C3H4O2 β–Propiolactone beta  
795 C3H4O2 2-Propenoic acid propenoic2  
796 C3H4O2 Methyl glyoxal megly  
797 C3H4O2 propanedial propanedial  
798 C3H4O2 propenalol propenalol  
799 HOCHCCHOH allenediol aldiol  
800 C2H4O3 1,2,3-trioxolane c2h4o3  
801 C2H4O3 trioxolane124 triox  
802 HOCH2COOH Hydroxyacetic acid hac  
803 CH2CHCONH2 Acrylamide c79061  
804 CH3OCH2CN Methoxyacetonitrile c1738369  
805 CH5N3S Hydrazinecarbothioamide c79196  
806 H2NCH2COOH Glycine glycine  
807 CH3SO2NH2 methanesulfonamide ch3so2nh2  
808 C4H6O cis-2-butenal butenal2c  
809 C4H6O Cyclobutanone cbutone  
810 C4H6O Furan, 2,3-dihydro- furan23h  
811 C4H6O Furan, 2,5-dihydro- furan25h  
812 CH2CHOCHCH2 Vinyl ether vinylether  
813 CHOCHCHCH3 2-Butenal butenal2  
814 C4H6S Thiophene, 2,3-dihydro- thiop23h  
815 C4H6S Thiophene, 2,5-dihydro- thiop25h  
816 CH2CHSCHCH2 Divinyl sulfide divis  
817 C2H6N2O Urea, methyl- c598505  
818 C3H6O2 1,3-Dioxolane dioxolane  
819 CH3CH2COOH Propanoic Acid propanoic  
820 CH3COOCH3 methyl acetate aame  
821 HCOOC2H5 Ethyl formate faee  
822 C2H6O2S Dimethyl sulfone c67710  
823 CH3SSSCH3 dimethyl trisulfide c2h6s3  
824 C3H7NO dimethylformamide dmf  
825 C3H7NO Propanamide propanam  
826 C2H3OC2H5 Ethene, ethoxy- c109922  
827 C4H8O Cyclobutanol c2919235  
828 C4H8O Furan, tetrahydro- thf  
829 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
830 CH3COCH2CH3 2-Butanone buta2one  
831 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
832 CHOCH2CH2CH3 Butanal butanal  
833 C4H8S Thiophene, tetrahydro- tht  
834 C3H8O2 1,3-Propanediol c504632  
835 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
836 C3H8O2 Methane, dimethoxy- c109875  
837 C3H8O2 Propylene glycol c57556  
838 C3H8S2 1,3-Propanedithiol c109808  
839 C4H10O 1-Butanol butanol1  
840 C4H10O 1-Propanol, 2-methyl- c78831  
841 C4H10O 2-Butanol, (.+/-.)- butanol2  
842 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
843 C4H10O Ethoxy ethane etoet  
844 C4H10O Methyl propyl ether meopr  
845 C4H10O Propane, 2-methoxy- c598538  
846 C4H10O+ 1-Butanol cation butanol1+  
847 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
848 C2H5SC2H5 Diethyl sulfide etset  
849 C4H9SH 1-Butanethiol bush  
850 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
851 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
852 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
853 FNO3 Fluorine nitrate fno3  
854 ClONO2 Chlorine nitrate clono2  
855 BrONO2 Bromine nitrate brono2  
856 TiCl4 Titanium tetrachloride ticl4  
857 ClO4- perchlorate anion clo4-  
858 BF4- tetrafluoroboron anion bf4-  
859 ClFO3 Perchloryl fluoride clfo3  
860 SO2F2 Sulfuryl fluoride so2f2  
861 SO2Cl2 Sulfuryl chloride so2cl2  
862 F3NO Nitrogen trifluoride oxide f3no  
863 F3PO Phosphoryl fluoride pf3o  
864 Cl3PO Phosphoryl chloride pcl3o  
865 CF4 Carbon tetrafluoride cf4  
866 SiF4 Silicon tetrafluoride sif4  
867 TiF4 Titanium tetrafluoride tif4  
868 CFCl3 Trichloromonofluoromethane cfcl3  
869 CF3Br Bromotrifluoromethane cf3br  
870 GeF4 Germanium tetrafluoride gef4  
871 CCl4 Carbon tetrachloride ccl4  
872 CCl4+ Carbon tetrachloride cation ccl4+  
873 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
874 SiCl4 Silane, tetrachloro- sicl4  
875 CBrCl2F bromodichlorofluoromethane cbrcl2f  
876 CF3I trifluoroiodomethane cf3i  
877 CBrCl3 Methane, bromotrichloro- cbrcl3  
878 CBr2F2 Methane, dibromodifluoro- cbr2f2  
879 GeCl4 Germanium Tetrachloride gecl4  
880 CBr2ClF dibromochlorofluoromethane cbr2clf  
881 CBr2Cl2 dibromodichloromethane cbr2cl2  
882 CCl3I trichloroiodomethane ccl3i  
883 CFBr3 fluorotribromomethane cfbr3  
884 CFClBrI fluorochlorobromoiodomethane cfclbri  
885 CBr3Cl tribromochloromethane cbr3cl  
886 CF2I2 difluorodiiodomethane cf2i2  
887 CBr4 Carbon tetrabromide cbr4  
888 CCl2I2 dichlorodiiodomethane ccl2i2  
889 SiBr4 Silicon tetrabromide sibr4  
890 CBr3I tribromoiododmethane cbr3i  
891 GeBr4 Germanium tetrabromide gebr4  
892 CI4 tetraiodomethane ci4  
893 SiI4 silicon tetraiodide sii4  
894 ClOF3 Chlorine trifluoride oxide clof3  
895 SeF4 Selenium tetrafluoride sef4  
896 SCl4 Sulfur tetrachloride scl4  
897 C2HF3 Trifluoroethylene c2hf3  
898 C2HF3+ Trifluoroethylene cation c2hf3+  
899 CHClCCl2 Trichloroethylene chclccl2  
900 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
901 HClO4 perchloric acid hclo4  
902 HSO3F Fluorosulfonic acid hso3f  
903 CF3OH trifluoromethanol cf3oh  
904 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
905 CHClCCHCl 1,3-dichloroallene chclcchcl  
906 CHCl2CHO dichloroacetaldehyde chcl2cho  
907 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
908 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
909 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
910 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
911 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
912 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
913 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
914 SiCl3CH3 methyltrichlorosilane sicl3ch3  
915 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
916 NH3BCl3 Amminetrichloroboron nh3bcl3  
917 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
918 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
919 C3H5ClO Oxirane, (chloromethyl)- c106898  
920 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
921 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
922 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
923 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
924 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
925 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
926 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
927 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
928 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
929 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
930 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
931 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
932 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
933 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
934 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
935 C4H9F 1-fluorobutane butaf1  
936 CH3CHFCH2CH3 2-fluorobutane butaf2  
937 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
938 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
939 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
940 XeF4 Xenon tetrafluoride xef4  
941 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
942 NH3BF3 Amminetrifluoroboron nh3bf3  
943 C6H2 hexatriyne c6h2  
944 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
945 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
946 C6H4 Benzyne benzyne  
947 C6H5 phenyl phenyl  
948 C6H5- phenyl anion phenyl-  
949 C6H6 Prismane prismane  
950 C6H6 1,2,4,5-Hexatetraene ht1245  
951 C6H6 2,4-Hexadiyne hexadiyne  
952 C6H6 3,4-Dimethylenecyclobutene cb34m  
953 C6H6 Benzene benzene  
954 C6H6 Benzvalene bv  
955 C6H6 Dewar Benzene dewar  
956 C6H6 Hexa-1,5-diene-3-yne hdy153  
957 C6H6 Trimethylenecycopropane tmcp  
958 C6H6+ Benzene cation c6h6+  
959 C6H7+ benzene, protonated c6h7+  
960 C6H8 (E)-hexa-1,3,5-triene c821078  
961 C6H8 (E)-hexa-2,3,4-triene c59660650  
962 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
963 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
964 C6H8 1,3-Cyclohexadiene cyhexadiene13  
965 C6H8 1,4-Cyclohexadiene cyhexadiene14  
966 C6H8 3-Methylenecyclopentene c930267  
967 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
968 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
969 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
970 C6H10 1,3-Hexadiene, (E)- hexdi13e  
971 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
972 C6H10 1,4-Hexadiene, (E)- hexdi14t  
973 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
974 C6H10 1,5-Hexadiene c592427  
975 C6H10 1-Butyne, 3,3-dimethyl- c917920  
976 C6H10 1-Hexyne hexyne1  
977 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
978 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
979 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
980 C6H10 2-Hexyne c764352  
981 C6H10 3-Hexyne hexyne3  
982 C6H10 cyclohexene cyclohexene  
983 C6H10 Cyclopentene, 1-methyl- c693890  
984 C6H10 Cyclopentene, 3-methyl- c1120623  
985 C6H10 Cyclopentene, 4-methyl- c1759815  
986 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
987 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
988 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
989 C6H12 (E)-2-Hexene e2hexene  
990 C6H12 (E)-3-methylpent-2-ene c616126  
991 C6H12 (E)-hex-3-ene e3hexene  
992 C6H12 (Z)-3-methylpent-2-ene c922623  
993 C6H12 (Z)-hex-2-ene z2hexene  
994 C6H12 (Z)-hex-3-ene z3hexene  
995 C6H12 2,3-dimethylbut-1-ene c563780  
996 C6H12 2,3-dimethyl-but-2-ene tmeet  
997 C6H12 3-methylenepentane c760214  
998 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
999 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1000 C6H12 Cyclohexane cyclohexane  
1001 C6H12 Cyclopentane, methyl- c96377  
1002 C6H12 Ethylcyclobutane c4806615  
1003 C6H12 hex-1-ene hexene1  
1004 C6H14 Butane, 2,2-dimethyl- buta22  
1005 C6H14 Butane, 2,3-dimethyl- buta23  
1006 C6H14 Hexane hexane  
1007 C6H14 Pentane, 2-methyl- penta2  
1008 C6H14 Pentane, 3-methyl- penta3  
1009 C4N2 2-Butynedinitrile c4n2  
1010 C4H2N2 Fumaronitrile c4h2n2  
1011 C2H2N4 sym-tetrazine ttz  
1012 C3H3N3 1,3,5-Triazine triazine135  
1013 CH3N5 5-Aminotetrazole c4418615  
1014 C4H4N2 1,3-Diazine diazine13  
1015 C4H4N2 Pyrazine pyrazine  
1016 C4H4N2 Pyridazine pyridazine  
1017 C4H4N2 Succinonitrile c110612  
1018 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1019 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1020 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1021 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1022 C5H5N E-2,4-pentadienenitrile bdcn  
1023 C5H5N Pyridine pyridine  
1024 B3N3H6 borazine borazine  
1025 C6H6 Fulvene fulvene  
1026 C5H6N+ Pyridinium c5h6n  
1027 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1028 C5H7N (E)-2-Pentenenitrile c26294984  
1029 C5H7N (E)-3-Pentenenitrile c16529661  
1030 C5H7N (Z)-2-Pentenenitrile c25899507  
1031 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1032 C5H7N Cyclobutanecarbonitrile c4426113  
1033 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1034 C5H9N Butanenitrile, 2-methyl- c18936179  
1035 C5H9N Pentanenitrile c110598  
1036 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1037 C6H10 Bicyclo[3.1.0]hexane c285585  
1038 C5H11N Cyclopentanamine cypentam  
1039 C5H11N Piperidine piper  
1040 C4H12N2 1,2-Butanediamine c4426486  
1041 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1042 Li2CO3 Lithium Carbonate li2co3  
1043 Na2CO3 Sodium Carbonate na2co3  
1044 C2O4-- oxalate anion c2o4  
1045 MgSO4 Magnesium Sulfate mgso4  
1046 C2H2O4 Oxalic Acid oxalic  
1047 C2H3NO3 Oxamic acid oxamic  
1048 C4H4O2 2(5H)-Furanone furanone  
1049 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1050 C2H4N2O2 Oxalamide oxalamide  
1051 C2H4N2S2 Ethanedithioamide c79403  
1052 C2H4CO3 Ethylene carbonate etco3  
1053 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1054 C3H4S3 1,3-Dithiolane-2-thione c822388  
1055 C2H4O4 Formic acid dimer fadimer  
1056 C4H5NO 3-Methylisoxazole isox3m  
1057 C4H5NO Isoxazole, 5-methyl- c5765446  
1058 C4H5NS 4-Methylthiazole c693958  
1059 C2H5NO3 Nitric acid, ethyl ester c625581  
1060 C5H6O 2H-Pyran pyran2  
1061 C5H6O 2-methylfuran furan2m  
1062 C5H6O 3-Methylfuran furan3m  
1063 C5H6O Pentadienal pdal  
1064 C5H6S Thiophene, 2-methyl- c554143  
1065 C5H6S Thiophene, 3-methyl- c616444  
1066 C4H6O2 2,3-Butanedione c431038  
1067 C4H6O2 2-Propenoic acid, methyl ester c96333  
1068 C4H6O2 Crotonic Acid crot  
1069 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1070 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1071 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1072 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1073 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1074 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1075 C4H6OS Vinyl sulfoxide c1115157  
1076 CH6N4S Carbonothioic dihydrazide thiacarb  
1077 C2H6N2O2 (E)-Azodioxymethane c37765154  
1078 C2H6N2O2 Dimethylnitroamine c4164287  
1079 C3H6S3 1,3,5-Trithiane c3h6s3  
1080 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1081 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1082 C4H7NO 2-Pyrrolidinone c616455  
1083 C4H7NO Ethoxyacetonitrile etoaccn  
1084 C4H7NO Methacrylamide c79390  
1085 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1086 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1087 C3H7ONO Propyl nitrite prono  
1088 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1089 CH3CH(NH2)COOH Alanine alanine  
1090 CH3NHCH2COOH Sarcosine sarcosine  
1091 NH2CH2CH2COOH β–alanine betaalanine  
1092 NH2COOC2H5 Urethane urethane  
1093 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1094 C5H8O Cyclopentanone c120923  
1095 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1096 C5H8O Methyl cyclopropyl ketone c765435  
1097 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1098 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1099 NH2CONHC2H5 Urea, ethyl- c625525  
1100 C4H8O2 1,3-Dioxane dioxan13  
1101 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1102 C4H8O2 1,4-Dioxane dioxan14  
1103 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1104 C4H8O2 Ethyl acetate c141786  
1105 C4H8OS s-Ethyl thioacetate c625605  
1106 C3H8O3 1,2,3-Propanetriol glycerin  
1107 C3H8O2S (Methylsulfonyl)ethane c594434  
1108 C4H9NO Butanamide c541355  
1109 C4H9NO Propanamide, 2-methyl- c563837  
1110 C5H10O 2-Butanone, 3-methyl- c563804  
1111 C5H10O 2H-Pyran, tetrahydro- c142687  
1112 C5H10O 2-methylbutyraldehyde 2meba  
1113 C5H10O 2-Pentanone mpk  
1114 C5H10O 3-Pentanone dek  
1115 C5H10O Cyclopentanol c96413  
1116 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1117 C5H10O Pentanal pal  
1118 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1119 C5H10S 3-Ethylthio-1-propene c5296628  
1120 C5H10S Cyclopentanethiol c1679078  
1121 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1122 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1123 C4H10O2 1,1-Dimethoxyethane c534156  
1124 C4H10O2 1,3-Butanediol budiol13  
1125 C4H10O2 1,4-Butanediol budiol14  
1126 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1127 C4H10OS Diethyl sulfoxide c70291  
1128 C4H10S2 1,4-Butanedithiol budisl14  
1129 C4H11NO Diethylhydroxylamine c3710847  
1130 C5H12O 1-Butanol, 2-methyl- c137326  
1131 C5H12O 1-Butanol, 3-methyl- c123513  
1132 C5H12O 1-Pentanol pentanol1  
1133 C5H12O 2-Butanol, 3-methyl- c598754  
1134 C5H12O 2-Pentanol peol2  
1135 C5H12O 3-Pentanol pentan3ol  
1136 C5H12O Butane, 1-methoxy- meobu  
1137 C5H12O Propane, 1-ethoxy- proet  
1138 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1139 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1140 C5H12S 1-Butanethiol, 3-methyl- c541311  
1141 C5H12S 1-Pentanethiol c110667  
1142 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1143 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1144 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1145 C5H12S Butane, 1-(methylthio)- c628295  
1146 C5H12S Ethyl propyl sulfide c4110503  
1147 C5H12S Propane, 2-(ethylthio)- c5145993  
1148 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1149 C4F2 difluorobutadiyne c4f2  
1150 ClCOClCO Oxalyl chloride oxcl  
1151 CF3CN Acetonitrile, trifluoro- cf3cn  
1152 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1153 B2F4 Diboron tetrafluoride b2f4  
1154 B2Cl4 Diboron tetrachloride b2cl4  
1155 C2F4 Tetrafluoroethylene c2f4  
1156 C2F4+ Tetrafluoroethylene cation c2f4+  
1157 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1158 CF2CCl2 difluorodichloroethylene cf2ccl2  
1159 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1160 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1161 C2FCl3 fluorotrichloroethene c2fcl3  
1162 C2Cl4 Tetrachloroethylene c2cl4  
1163 C2Br4 tetrabromoethene c2br4  
1164 CF3OF Trifluoromethylhypofluorite cf3of  
1165 SiF5- silicon pentafluoride anion sif5-  
1166 SOF4 Sulfur tetrafluoride oxide sof4  
1167 PF5 Phosphorus pentafluoride pf5  
1168 AsF5 Arsenic pentafluoride asf5  
1169 PCl5 Phosphorus pentachloride pcl5  
1170 SF5 Sulfur pentafluoride sf5  
1171 SF5+ pentafluoro sulfur cation sf5+  
1172 SbCl5 Antimony pentachloride sbcl5  
1173 BrF5 bromine pentafluoride brf5  
1174 ClF5 chlorinepentafluoride clf5  
1175 IF5 pentafluoroiodine if5  
1176 CF3CHO trifluoroacetaldehyde cf3cho  
1177 CCl3CHO trichloroacetaldehyde ccl3cho  
1178 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1179 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1180 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1181 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1182 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1183 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1184 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1185 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1186 CF3COOH trifluoroacetic acid cf3cooh  
1187 C4H3ClO Furan, 2-chloro fur2cl  
1188 C4H3ClO Furan,3-chloro fur3cl  
1189 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1190 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1191 C4H8Cl2 1,4-Dichlorobutane c110565  
1192 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1193 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1194 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1195 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1196 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1197 C5H11Cl Pentane, 1-chloro- pencl1  
1198 C4H8O2 Butanoic acid bua  
1199 C6H5CH2 benzyl radical benzyl  
1200 C7H7 cycloheptatrienyl radical c7h7  
1201 C7H7+ cycloheptatrienyl cation c7h7+  
1202 C6H5CH3 toluene toluene  
1203 C7H8 cycloheptatriene cht  
1204 C7H8 Norbornadiene norbor  
1205 C7H8 Quadricyclane qucy  
1206 C7H12 Norbornane nor  
1207 C7H14 cycloheptane c7h14  
1208 C7H16 2-methylhexane 2mhex  
1209 C7H16 3-methylhexane hex3m  
1210 C7H16 heptane heptane  
1211 CH(CN)3 tricyanomethane mecn3  
1212 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1213 C6H7N 2-Methylpyridine mp  
1214 C6H5NH2 aniline aniline  
1215 C6H13N 2-Methylpiperidine pip2m  
1216 C6H13N cyclohexanamine cham  
1217 C6H15N triethylamine tea  
1218 N2O5 Dinitrogen pentoxide n2o5  
1219 C4H2O3 Maleic Anhydride malan  
1220 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1221 C5H4O2 furfural furfural  
1222 C6H5O phenoxy radical phenoxy  
1223 C5H5NO 2(1H)-Pyridinone c72762006  
1224 C5H5NO 2(3H)-Pyridinone c9000048  
1225 C5H5NO 2(5H)-Pyridinone c9000037  
1226 C5H5NO 2-Pyridinol c109104  
1227 C5H5NO 3(2H)-Pyridinone c9000004  
1228 C5H5NO 3(4H)-Pyridinone c9000026  
1229 C5H5NO 3(6H)-Pyridinone c9000015  
1230 C5H5NO 3-Pyridinol c109002  
1231 C5H5NO 4(1H)-Pryidinone c9000060  
1232 C5H5NO 4(3H)-Pryidinone c9000059  
1233 C5H5NO 4-Pyridinol c626642  
1234 C6H5OH phenol phenol  
1235 C6H6O 2,4-Cyclohexadienone c24599573  
1236 C6H6O 2,5-Cyclohexadienone c5664335  
1237 C6H5SH Benzenethiol phsh  
1238 HO2CCHNH2CH2OH Serine serine  
1239 C5H8O2 Acetylacetone acac  
1240 C4H8O2S Sulfolane sulfolane  
1241 C7H10 Norbornene norbornene  
1242 CH(C2H3)3 trivinyl methane tvm  
1243 C6H10O cyclohexanone chexo  
1244 C6H12O hexanal c6h12o  
1245 C3H7OC3H7 di-n-propyl ether propr  
1246 F2CCCF2 tetrafluoroallene pfa  
1247 CF3COO- trifluoro acetate anion cf3coo-  
1248 CF3COF trifluoroacetyl fluoride cf3cof  
1249 CF3COCl trifluoroacetyl chloride cf3cocl  
1250 PF6 Hexafluorophosphate neutral pf6  
1251 PF6- Hexafluorophosphate ion pf6-  
1252 SF6 Sulfur Hexafluoride sf6  
1253 SeF6 Selenium hexafluoride sef6  
1254 SF5Cl sulfur chloropentafluoride sf5cl  
1255 CF3CHF2 pentafluoroethane cf3chf2  
1256 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1257 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1258 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1259 CCl3CHCl2 pentachloroethane ccl3chcl2  
1260 C6H5F Fluorobenzene bzf  
1261 C6H5Cl chlorobenzene bzcl  
1262 C6H5Br bromobenzene bzbr  
1263 C8H6 Calicene calicene  
1264 C6H5CCH phenylacetylene phac  
1265 C8H6 benzocyclobutadiene bcbd  
1266 C8H6 Pentalene pentalene  
1267 C6H5CHCH2 Styrene styrene  
1268 C8H8 cubane cubane  
1269 C8H8 cyclooctatetraene cot  
1270 C6H5CH2CH3 Ethylbenzene etbz  
1271 CH3C6H4CH3 meta-xylene mxylene  
1272 CH3C6H4CH3 paraxylene pxylene  
1273 C8H14 Bicyclo[2.2.2]octane bico222  
1274 C8H16 cyclooctane cyclooct  
1275 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1276 C8H18 Octane c8h18  
1277 C6H5CN phenyl cyanide phcn  
1278 C6H12N2 Triethylenediamine ted  
1279 C4O4-- squarate dianion c4o4--  
1280 S4N4 Tetrasulfur tetranitride s4n4  
1281 S8 Octasulfur s8  
1282 C6H4O2 parabenzoquinone pbq  
1283 C4H4N2O2 Uracil uracil  
1284 C6H5OCH3 Anisole anisole  
1285 C5H9NO2 Proline proline  
1286 C6H12O2 Methyl pivalate c598981  
1287 C6H12O2 Hexanoic acid hexa  
1288 C4F4 tetrafluorcyclobutadiene c4f4  
1289 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1290 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1291 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1292 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1293 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1294 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1295 C2F6 hexafluoroethane c2f6  
1296 C2Cl6 hexachloroethane c2cl6  
1297 IF7 Iodine heptafluoride if7  
1298 C6H4F2 metadifluorobenzene mdfb  
1299 C6H4F2 orthodifluorobenzene odfb  
1300 C6H4F2 1,4-difluorobenzene pdfb  
1301 C6H4Cl2 1,2-dichlorobenzene dcb12  
1302 C6H4Cl2 1,3-dichlorobenzene dcb13  
1303 C6H4Cl2 1,4-dichlorobenzene dcb14  
1304 C6H5NO nitrosobenzene bzno  
1305 C9H8 Indene indene  
1306 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1307 C9H12 n-propyl benzene prbz  
1308 C9H20 Nonane nonane  
1309 C(CN)4 tetracyanomethane c5n4  
1310 C5H4N4 purine purine  
1311 C8H7N Indole indole  
1312 C3H3N3O3 cyanuric acid cyanuric  
1313 C6H5NO2 Nitrobenzene c6h5no2  
1314 C6H5COOH benzoic acid benzo  
1315 CH3COC6H5 acetophenone acph  
1316 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1317 C3F6 hexafluoropropene c3f6  
1318 C6H3F3 Benzene trifluoride 123 bzf3a  
1319 C8H18O 1-Octanol octanol  
1320 C10H8 Azulene azu  
1321 C10H8 naphthalene naph  
1322 C10H10 bullvalene bullv  
1323 C10H16 adamantane adamantane  
1324 C6N4 Tetracyanoethylene tcne  
1325 C6N4- tetracyanoethylene anion tcne-  
1326 C10H22 Decane decane  
1327 C4F6 perfluorobutadiene c4f6  
1328 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1329 C3F8 perfluoropropane c3f8  
1330 Fe(CO)5 Iron pentacarbonyl ipc  
1331 Fe(C5H5)2 ferrocene fecp2  
1332 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1333 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1334 C12H8 Acenaphthylene acenaph  
1335 C12H8 biphenylene biph  
1336 C12H10 biphenyl biphenyl  
1337 C12H10 Heptalene heptalene  
1338 C6H12O6 Inositol inositol  
1339 C6F6 hexafluorobenzene c6f6  
1340 S2F10 disulphur decafluoride s2f10  
1341 C13H10 Fluorene fluorene  
1342 C14H10 Anthracene anth  
1343 C14H10 Phenanthrene phenanthrene  
1344 C14H14 Bibenzyl bibenzyl  
1345 C12H10N2 azobenzene azobenzene  
1346 C6H5COC6H5 benzophenone benzophenone  
1347 C16H10 Pyrene pyrene  
1348 C18H12 Tetracene tetracene  
1349 C19H16 Triphenylmethane tpm  
1350 C24H12 Coronene coronene  
1351 C60 Buckminsterfullerene c60