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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 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li- Lithium atom anion 1SKh
12 LiH+ lithium hydride cation 2ΣC∞v
13 NaH sodium hydride 1ΣC∞v
14 CuH Copper monohydride 1ΣC∞v
15 BeH beryllium monohydride 2ΣC∞v
16 MgH magnesium monohydride 2ΣC∞v
17 TiH Titanium monohydride 4ΦC∞v
18 ZnH+ Zinc, protonated   
19 BeH2 beryllium dihydride 1ΣgD∞h
20 BeH2+ Beryllium dihydride cation   
21 MgH2 magnesium dihydride 1ΣgD∞h
22 Al Aluminum atom 2PKh
23 Al- Aluminum atom anion 3PKh
24 Al+ Aluminum atom cation 1SKh
25 Sc Scandium atom 2DKh
26 Sc+ Scandium cation 3DKh
27 Ga Gallium atom 2P 
28 Ga- Gallium atom anion 3POh
29 Ga+ Gallium atom cation 1S 
30 BH Boron monohydride 1ΣC∞v
31 BH Boron monohydride 3ΠC∞v
32 ScH Scandium monohydride 1ΣC∞v
33 ScH+ Scandium monohydride cation 2ΣC∞v
34 GaH Gallium monohydride 1ΣC∞v
35 GaH+ Gallium monohydride cation 2ΣC∞v
36 BH2- boron dihydride anion 1A1C2v
37 BH3 boron trihydride 1A1'D3h
38 BH3+ boron trihydride cation 2B2C2v
39 BH3+ boron trihydride cation  C2v
40 AlH3 aluminum trihydride 1A1'D3h
41 AlH3- aluminum trihydride anion  C3v
42 ScH3 Scandium trihydride 1A1'D3h
43 ScH3 Scandium trihydride 1A1C3v
44 GaH3 Gallium trihydride 1A1'D3h
45 BH4 borohydride 2B2C2v
46 BH4- borohydride anion 1A1Td
47 C Carbon atom 3P0Kh
48 C- Carbon atom anion 2DKh
49 Si- Silicon atom anion 4SKh
50 Ge Germanium atom 3PKh
51 Ge- Germanium anion 4SKh
52 Ge+ Germanium cation 2PKh
53 CH Methylidyne 2Π1/2C∞v
54 SiH Silylidyne 2ΠC∞v
55 SiH+ silicon monohydride cation 1ΣC∞v
56 GeH germylidene 2ΠC∞v
57 GeH+ Germaniun monohyrdide cation 1ΣC∞v
58 CH2 Methylene 3B1C2v
59 CH2 Methylene 3ΣGD∞h
60 CH2 Methylene 1A1C2v
61 CH2- methylene anion 2B1C2v
62 CH2+ methylene cation 2A1C2v
63 CH2+ methylene cation 2ΠD∞h
64 SiH2 silicon dihydride 1A1C2v
65 SiH2 silicon dihydride 3B1C2v
66 GeH2 germylene 1A1C2v
67 CH3 Methyl radical 2A1D3h
68 CH3- methyl anion 1A1C3v
69 CH3+ methyl cation 1A1'D3h
70 SiH3 Silyl radical 2A1C3v
71 SiH3+ Silyl cation 1A1'D3h
72 GeH3 Germyl radical 2A1C3v
73 GeH3+ germyl cation 1A1'D3h
74 CH4 Methane 1A1Td
75 CH4- Methane anion 2A1Td
76 SiH2D2 silane-d2   
77 SiH4 Silane 1A1Td
78 GeH4 Germane 1A1Td
79 SiH5+ Silane, protonated   
80 N Nitrogen atom 4SKh
81 P Phosphorus atom 4SKh
82 V Vanadium atom 4FKh
83 V+ Vanadium atom cation 5DKh
84 As Arsenic atomic 4SKh
85 As- Arsenic anion 3PKh
86 As+ Arsenic cation 3PKh
87 PH phosphorus monohydride 3Σ-C∞v
88 AsH Arsenic monohydride 3ΣC∞v
89 NH2 Amino radical 2B1C2v
90 NH2+ Amino cation 3B1C2v
91 NH2+ Amino cation 1A1C2v
92 NH3 Ammonia 1A1C3v
93 NH3- Ammonia anion 2A1C3v
94 NH3+ ammonia cation 2A2"D3h
95 PH3 Phosphine 1A1C3v
96 PH3+ Phosphine cation 2A1C3v
97 AsH3 Arsine 1A1C3v
98 AsH3+ Arsine cation 2A1C3v
99 AsH4+ Arsonium   
100 NH4 Ammonium radical   
101 NH4+ ammonium cation 1A1Td
102 PH4 Phosphoranyl radical   
103 PH4+ phosphonium cation   
104 O Oxygen atom 3SKh
105 S Sulfur atom 3PKh
106 S Sulfur atom   
107 S- Sulfur atom anion 2PKh
108 S+ Sulfur atom cation 4SKh
109 Se Selenium atom 3PKh
110 Se- Selenium atom anion 2PKh
111 Se+ Selenium atom cation 4SKh
112 OH Hydroxyl radical 2ΠC∞v
113 OH- hydroxide anion 1ΣC∞v
114 OH+ hydoxyl cation 3ΣC∞v
115 HS Mercapto radical 2ΠC∞v
116 HS- mercapto anion 1ΣC∞v
117 HS+ sulfur monohydride cation 3ΣC∞v
118 CrH Chromium hydride 6ΣC∞v
119 CrH+ Chromium hydride cation 5ΣC∞v
120 HSe Selenium monohydride 2ΠC∞v
121 HSe- selenium monohydride anion 1ΣC∞v
122 HSe+ selenium monohydride cation 3ΣC∞v
123 H2O Water 1A1C2v
124 H2O- water anion 2A1C2v
125 H2O- water anion 2A'Cs
126 H2O+ water cation 2B1C2v
127 HDO Water-d1 1A1C2v
128 H2S Hydrogen sulfide 1A1C2v
129 H2S- Hydrogen sulfide anion 2A'Cs
130 H2S+ Hydrogen sulfide cation 2B1C2v
131 H2Se Hydrogen selenide 1A1C2v
132 H2Se+ Hydrogen selenide cation 2B1C2v
133 H3O+ hydronium cation 1A1C3v
134 H3S+ Sulfonium cation 1A1C3v
135 H3Se+ Hydrogen Selenide, protonated 1A1C3v
136 F Fluorine atom 2PKh
137 F- Fluorine atom anion 1SKh
138 F+ Fluorine atom cation 3SKh
139 F+ Fluorine atom cation 1DKh
140 Cl Chlorine atom 2PKh
141 Cl- Chlorine atom anion 1SKh
142 Cl+ Chlorine atom cation 3PKh
143 Cl+ Chlorine atom cation 1DKh
144 Br Bromine atom 2PKh
145 Br- Bromine atom anion 1SKh
146 Br+ Bromine atom cation 3PKh
147 HF Hydrogen fluoride 1ΣC∞v
148 HF- hydrogen fluoride anion 2ΣC∞v
149 HF+ hydrogen fluoride cation 2ΠC∞v
150 HCl Hydrogen chloride 1ΣC∞v
151 HCl- hydrogen chloride anion 2ΣC∞v
152 HCl+ hydrogen chloride cation 2ΠC∞v
153 HBr hydrogen bromide 1ΣC∞v
154 HBr- hydrogen bromide anion 2ΣC∞v
155 HBr+ hydrogen bromide cation 2ΠC∞v
156 H2Cl+ dihydrogen monochloride cation 1A1C2v
157 H2Br+ protonated hydrogen bromide 2A1C2v
158 Ne Neon atom 1SKh
159 Ne Neon atom   
160 Kr Krypton atom 1SKh
161 Kr+ Krypton cation 2PKh
162 HeLi+ Helium Lithium cation   
163 NeH neon hydrogen 2ΣC∞v
164 ArH+ Argon hydride cation 1ΣC∞v
165 KrH+ Protonated Krypton 1ΣC∞v
166 H2Ar H2 Ar dimer 1ΣC∞v
167 NaLi lithium sodium 1ΣC∞v
168 Na2 Sodium diatomic 1ΣgD∞h
169 Na2- sodium diatomic anion 2ΣuD∞h
170 Na2+ sodium diatomic cation 2ΣgD∞h
171 Be2 Beryllium diatomic 1ΣgD∞h
172 Be2 Beryllium diatomic 3ΠgD∞h
173 BeMg Beryllium Magnesium 1ΣC∞v
174 Mg2 Magnesium diatomic 1ΣgD∞h
175 LiB Lithium boride 3ΠC∞v
176 LiAl Lithium Aluminum   
177 NaAl Sodium aluminum 1ΣC∞v
178 BeB Beryllium monoboride 2ΠC∞v
179 B2 Boron diatomic 3ΣgD∞h
180 B2 Boron diatomic 1ΣgD∞h
181 B2 Boron diatomic 5ΣuD∞h
182 B2+ Boron diatomic cation 2ΠD∞h
183 BAl Boron Aluminum 3ΣC∞v
184 BGa Boron Gallium 3ΣC∞v
185 AlGa Aluminum Gallium 3ΣC∞v
186 AlGa Aluminum Gallium 1ΣC∞v
187 Ga2 Gallium diatomic 3Piu 
188 HBBH Diborane(2) 3ΣGD∞h
189 B2H4 Diborane(4) D2d 1A1D2d
190 HBHHBH Diborane(4) C2V 1A1C2v
191 B2H6 Diborane 1AgD2h
192 B2H6+ Diborane cation   
193 Ga2H6 digallane 1AGD2h
194 BeC Beryllium Carbide 3Σ-C∞v
195 BeC Beryllium Carbide   
196 AlC Aluminum carbide 4ΣC∞v
197 BSi Boron silicide 4ΣC∞v
198 BSi Boron silicide 2ΣC∞v
199 C2 Carbon diatomic 1Σg+D∞h
200 C2 Carbon diatomic 3Σg- 
201 C2+ carbon diatomic cation 4ΣgD∞h
202 SiC silicon monocarbide 3ΣC∞v
203 SiC silicon monocarbide 1ΣC∞v
204 GeC Germanium monocarbide 1ΣC∞v
205 SiGe Silicon Germanium   
206 C2H Ethynyl radical 2ΣC∞v
207 C2H- Ethynyl anion 1ΣC∞v
208 C2H2 Acetylene 1ΣgD∞h
209 C2H2+ acetylene cation 2ΠuD∞h
210 C2H2+ acetylene cation   
211 H2CC- vinylidene anion   
212 HCCH- acetylene anion   
213 HCCH- acetylene anion   
214 Si2H2 disilyne   
215 Si2H2 disilyne   
216 Si2H2 disilyne   
217 Si2H2 disilyne   
218 CH3Li methyl lithium 1A1C3v
219 CH2BH methyleneborane 1A1C2v
220 C2H3 vinyl 2A'Cs
221 C2H3- vinyl anion 1A'Cs
222 C2H3+ vinyl cation 1A1C2V bridging H
223 C2H3+ vinyl cation 1A1C2V HCCH2
224 C2H4 Ethylene 1AgD2h
225 C2H4- Ethylene anion 2AgC2h
226 C2H4+ Ethylene cation 2B3D2
227 Si2H4 Disilene   
228 Si2H4 Disilene   
229 Si2H4 Disilene   
230 CH3BH2 methylborane 1A'Cs
231 C2H5 Ethyl radical 2A'Cs
232 C2H6 Ethane 1A1gD3d
233 Si2H6 disilane 1EuD3d
234 LiN Lithium Nitride 3ΣC∞v
235 LiP Lithium monophosphide   
236 LiP Lithium monophosphide   
237 BeN+ Beryllium mononitride cation 3ΣC∞v
238 BeN+ Beryllium mononitride cation 1ΣC∞v
239 MgN Magnesium Nitride   
240 MgN Magnesium Nitride   
241 BP Boron monophosphide 3ΠC∞v
242 BP Boron monophosphide 1ΣC∞v
243 AlP Aluminum monophosphide 3ΣC∞v
244 AlP Aluminum monophosphide 3ΠC∞v
245 AlP Aluminum monophosphide 1ΣC∞v
246 GaP Gallium monophosphide 3ΣC∞v
247 GaP Gallium monophosphide 1ΣC∞v
248 GaAs Gallium arsenide 3Π 
249 GaAs Gallium arsenide 1Σ 
250 BN boron nitride 3ΠC∞v
251 BN boron nitride 1ΣC∞v
252 CN Cyano radical 2ΣC∞v
253 CN- cyanide anion 1ΣC∞v
254 SiP Silicon monophosphide 2ΠC∞v
255 N2 Nitrogen diatomic 1ΣgD∞h
256 N2 Nitrogen diatomic   
257 N2- nitrogen diatomic anion 2ΠgD∞h
258 N2+ diatomic nitrogen cation 2ΣgD∞h
259 PN Phosphorus mononitride 1ΣC∞v
260 P2 Phosphorus diatomic 1ΣgD∞h
261 HCN Hydrogen cyanide 1ΣC∞v
262 HCN+ hydrogen cyanide cation 2ΠC∞v
263 HNC+ hydrogen isocyanide cation   
264 HCP+ Phosphaethyne cation   
265 NNH+ Dinitrogen monohydride cation 1ΣC∞v
266 LiNH2 lithium amide   
267 HBNH Boranimine 1ΣC∞v
268 CNH2 Aminomethylidyne radical 2B2C2v
269 H2CN Dihydrogen cyanide radical 2B2C2v
270 H2NN Isodiazene   
271 N2H2 (E)-diazene 1AgC2h
272 N2H2 (Z)-Diazene 1A1C2v
273 N2H2+ trans-diazene cation 2AGC2h
274 CH2NH Methanimine 1A'Cs
275 CH2NH+ Methanimine cation   
276 CHNH2 aminomethylene   
277 CHNH2+ Aminocarbene cation   
278 BH2NH2 Boranamine   
279 CH2NH2+ methyleneamine cation 1A1C2v
280 N2H4 Hydrazine 1AC2
281 N2H4+ hydrazine cation 2AGC2h
282 CH3NH2 methyl amine 1A'Cs
283 CH3NH2+ methyl amine cation 2A'Cs
284 SiH3NH2 Silane, amino   
285 N2H5+ protonated hydrazine 1A'Cs
286 BH3PH3 borane phosphine   
287 BH3NH3 borane ammonia 1A1C3v
288 CH3NH3 methyl ammonium radical 2A1C3v
289 CH3PH3+ methyl phosphine, protonated 1A1C3v
290 NH3NH3 Ammonia Dimer 1AgC2h
291 NH3NH3 Ammonia Dimer 1A'Cs
292 N2H7+ ammonia ammonium dimer   
293 LiO lithium oxide 2ΣC∞v
294 LiS Lithium monosulfide 2ΠC∞v
295 LiS+ Lithium sulfide cation 3ΣC∞v
296 NaO sodium monoxide 2ΣC∞v
297 NaS Sodium sulfide 2ΠC∞v
298 LiSe Lithium monoselenide   
299 BeO beryllium oxide 1ΣC∞v
300 BO boron monoxide 2ΣC∞v
301 ScO Scandium monoxide 2ΣC∞v
302 GaO Gallium monoxide 2ΣC∞v
303 GaS Gallium monosulfide   
304 CO Carbon monoxide 1ΣC∞v
305 CO- carbon monoxide anion 2ΠC∞v
306 CO+ carbon monoxide cation 2ΣC∞v
307 SiO Silicon monoxide 1ΣC∞v
308 SiS silicon monosulfide 1ΣC∞v
309 TiO Titanium monoxide 3ΔC∞v
310 CSe Carbon monoselenide 1ΣC∞v
311 GeO Germanium monoxide 1ΣC∞v
312 GeO+ Germanium monoxide cation 2ΣC∞v
313 GeS Germanium monosulfide 1ΣC∞v
314 SiSe Silicon Monoselenide   
315 SiSe+ Silicon Monoselenide cation   
316 GeSe Germanium monoselenide   
317 NO Nitric oxide 2ΠC∞v
318 NO- nitric oxide anion 3ΣC∞v
319 NO+ nitric oxide cation 1ΣC∞v
320 NS Mononitrogen monosulfide 2ΠC∞v
321 PO Phosphorus monoxide 2ΠC∞v
322 PS phosphorus sulfide 2ΣC∞v
323 VO Vanadium monoxide 4Σ- 
324 NSe Nitrogen monoselenide 2ΠC∞v
325 AsS Arsenic monosulfide 2ΠC∞v
326 PSe Phosphorus monoselenide 2ΠC∞v
327 AsSe Arsenic monoselenide 2ΠC∞v
328 O2 Oxygen diatomic 3ΣgD∞h
329 O2- oxygen diatomic anion 2ΠD∞h
330 O2-- dioxygen dianion   
331 O2+ diatomic oxygen cation 2ΠgD∞h
332 SO Sulfur monoxide 3ΣC∞v
333 SO Sulfur monoxide 1ΣC∞v
334 SO+ sulfur monoxide cation 2ΠC∞v
335 S2 Sulfur diatomic 3ΣgD∞h
336 SeO Selenium monoxide 3ΣC∞v
337 Se2 Selenium diatomic 3ΣgD∞h
338 LiOH lithium hydroxide 1ΣC∞v
339 BeOH beryllium monohydroxide 2A'Cs
340 BeOH beryllium monohydroxide 2ΣC∞v
341 HBO Boron hydride oxide 1ΣC∞v
342 HBS hydrogen boron sulfide 1ΣC∞v
343 COH Hydroxymethylidyne   
344 COH+ Carbon Monoxide, protonated 1ΣC∞v
345 HCO Formyl radical 2A'Cs
346 HCO- formyl anion 1A'Cs
347 HCO+ Formyl cation 1ΣC∞v
348 HNO Nitrosyl hydride 1A'Cs
349 HNO+ Nitrosyl hydride cation 2A'Cs
350 NOH Hydroxyimidogen 3A"Cs
351 NOH+ O-protonated nitric oxide 2A'Cs
352 HO2 Hydroperoxy radical 2A"Cs
353 HO2+ Hydroperoxy cation 3A"Cs
354 HSO+ Sulfur Monoxide, S-protonated   
355 SOH Sulfur Hydroxide   
356 SOH+ Sulfur Monoxide, protonated   
357 H2CO Formaldehyde 1A1C2v
358 H2CO- formaldehyde anion 2A'Cs
359 H2CO- formaldehyde anion   
360 H2CO+ formaldehyde cation 2B2C2v
361 H2CS Thioformaldehyde 1A1C2v
362 H2CS- thioformaldehyde anion   
363 H2CS- thioformaldehyde anion   
364 H2CS+ thioformaldehyde cation 2B2C2v
365 H2CSe Selenoformaldehyde   
366 H2NO nitroxide 2B1C2v
367 H2NO nitroxide 2A'Cs
368 H2O2 Hydrogen peroxide 1AC2
369 H2O2 Hydrogen peroxide 1AgC2h
370 H2OO water oxide   
371 HOSH hydrogen thioperoxide   
372 H2S2 Disulfane 1AC2
373 H2S2+ hydrogen disulfide cation 2BgC2h
374 H2Se2 hydrogen diselenide   
375 CH2OH Hydroxymethyl radical 2AC1
376 CH2OH+ hydroxymethyl cation 1A'Cs
377 CH3O- methoxy anion 1A1C3v
378 CH3O+ Methoxy cation 3A1C3v
379 H2CSH+ Thioformaldehyde, protonated 1A'Cs
380 NH2OH hydroxylamine 1A'Cs
381 NH2OH+ Hydroxylamine cation   
382 H2POH Phosphinous acid 1A1'CS trans
383 H2POH Phosphinous acid 1A1'CS cis
384 H3PO Phosphine oxide 1A1C3v
385 NH2SH Thiohydroxylamine   
386 NH2SH Thiohydroxylamine   
387 NH3S sulfidoazane   
388 CH3OH Methyl alcohol 1A'Cs
389 CH3OH- Methyl alcohol anion 2A'Cs
390 CH3OH- Methyl alcohol anion 2A'CS eclipsed
391 CH3OH+ Methyl alcohol cation 2A"Cs
392 CH3SH Methanethiol 1A'Cs
393 CH3SH+ Methanethiol cation 2A"Cs
394 SiH3OH silanol   
395 NH2OH2+ protonated hydroxylamine   
396 NH3OH+ N-protonated hydroxylamine   
397 H2OH2O water dimer 1A'Cs
398 CH3SH2+ protonated methylsulfide 1A'Cs
399 H5O2+ Dihydroxonium ion 1AC2
400 LiF lithium fluoride 1ΣC∞v
401 LiCl lithium chloride 1ΣC∞v
402 NaF sodium fluoride 1ΣC∞v
403 NaF+ sodium fluoride cation 2ΣC∞v
404 NaCl Sodium Chloride 1ΣC∞v
405 LiBr Lithium Bromide 1ΣC∞v
406 LiF+ lithium fluoride cation 2ΠC∞v
407 MgF+ magnesium fluoride cation 1ΣC∞v
408 TiCl Titanium Monochloride 4ΣC∞v
409 ZnF Zinc monofluoride 2ΣC∞v
410 BF Boron monofluoride 1ΣC∞v
411 AlF Aluminum monofluoride 1Σ+C∞v
412 AlCl Aluminum monochloride 1ΣC∞v
413 ScF Scandium monofluoride 1ΣC∞v
414 GaF Gallium monofluoride 1ΣC∞v
415 GaF+ Gallium monofluoride cation 2ΣC∞v
416 AlBr Aluminum monobromide   
417 GaCl Gallium monochloride 1ΣGC∞v
418 GaCl+ Gallium monochloride cation 2ΣC∞v
419 GaBr Gallium monobromide   
420 CF Fluoromethylidyne 2ΠC∞v
421 SiF silicon monofluoride 2ΠC∞v
422 SiF+ silicon monofluoride cation 1ΣC∞v
423 SiCl Clorosilylidyne 2ΠC∞v
424 CBr Carbon monobromide 2ΠC∞v
425 GeF Germanium monofluoride 2ΠC∞v
426 GeF+ Germanium monofluoride cation 1ΣC∞v
427 GeCl Germanium monochloride 2ΠC∞v
428 GeCl+ Germanium monochloride cation   
429 SiBr Silicon monobromide 2ΠC∞v
430 SiBr+ Silicon monobromide cation   
431 NCl nitrogen monochloride 3ΣC∞v
432 AsF Arsenic monofluoride 3ΣC∞v
433 AsCl Arsenic monochloride 3ΣC∞v
434 PBr Phosphorus monobromide   
435 FO Oxygen monofluoride 2ΠC∞v
436 ClO Monochlorine monoxide 2ΠC∞v
437 ClO+ chlorine monoxide cation 3ΣC∞v
438 SF Monosulfur monofluoride 2ΠC∞v
439 SF+ sulfur monofluoride cation 3ΣC∞v
440 SCl sulfur monochloride 2ΠC∞v
441 SCl+ sulfur monochloride cation 3ΣgC∞v
442 BrO Bromine monoxide 2ΠC∞v
443 BrO+ Bromine monoxide cation   
444 SeF Selenium monofluoride 2ΠC∞v
445 SBr Sulfur monobromide radical   
446 SBr+ Sulfur monobromide cation   
447 SeCl Selenium monochloride 2ΠC∞v
448 SeBr Selenium monobromide   
449 BrCl Bromine monochloride 1ΣC∞v
450 F2 Fluorine diatomic 1ΣgD∞h
451 F2- flourine diatomic anion 2ΣuD∞h
452 F2+ flourine diatomic cation 2ΠgD∞h
453 ClF Chlorine monofluoride 1Σ+C∞v
454 ClF+ clorine monofluoride cation 2ΠC∞v
455 Cl2 Chlorine diatomic 1ΣgD∞h
456 Cl2- chlorine diatomic anion 2ΣuD∞h
457 Cl2+ chlorine diatomic cation 2ΠgD∞h
458 BrF Bromine monofluoride 1ΣC∞v
459 Br2 Bromine diatomic 1ΣgD∞h
460 Br2- bromine diatomic anion 2ΣuD∞h
461 Br2+ bromine diatomic cation 2ΠgD∞h
462 HCF Fluoromethylene 1A'Cs
463 HCF Fluoromethylene 3A"Cs
464 HSiF fluorosilylene   
465 HSiCl Chlorosilylene   
466 HSiBr monobromosilylene   
467 HOF Hypofluorous acid 1A'Cs
468 HOCl hypochlorous acid 1A'Cs
469 HOCl+ hypochlorous acid cation   
470 HOBr Hypobromous acid 1A'Cs
471 F2H+ Fluorine, protonated 1A'Cs
472 ClFH+ Chlorine fluoride, F-protonated   
473 FClH+ Chlorine fluoride, Cl-protonated   
474 Cl2H+ Chlorine, protonated 1A'Cs
475 CH2Br bromomethyl radical   
476 CH2F fluoromethyl radical 2ACs
477 CH2F+ fluoromethyl cation   
478 CH2Cl+ chloromethyl cation   
479 CH2Cl chloromethyl radical 2A'Cs
480 CH2Cl chloromethyl radical 2B1C2v
481 NH2Cl chloramine 1A'Cs
482 CH3F+ methyl fluoride cation   
483 CH3F Methyl fluoride 1A1C3v
484 CH3Cl Methyl chloride 1A1C3v
485 CH3Cl+ Methyl chloride cation   
486 SiH3F monofluorosilane 1A1C3v
487 SiH3Cl chlorosilane 1A1C1
488 CH3Br methyl bromide 1A1C3v
489 GeH3F monofluorogermane   
490 GeH3Cl monochlorogermane   
491 SiH3Br bromosilane 1A1C3v
492 NH3Cl+ protonated monochloroammonia   
493 CH3ClH+ methyl chloride, protonated   
494 NH4Cl Ammonium chloride   
495 LiNe+ Lithium Neon cation   
496 Ne2+ Neon diatomic cation 2ΣuD∞h
497 Ar2 Argon diatomic 1SgD∞h
498 Ar2+ Argon diatomic cation 2ΣuD∞h
499 Li3 Lithium trimer 2B2C2v
500 Li3+ Lithium trimer cation 1A1'D3h
501 C3 carbon trimer 1ΣgD∞h
502 C3 carbon trimer 1A1C2v
503 SiC2 Silicon dicarbide   
504 C3H3 cyclopropenyl radical 2A'Cs
505 C3H4 cyclopropene 1A1C2v
506 CH2CCH2 allene 1A1D2d
507 CH3CCH propyne 1A'C3v
508 C3H5 Allyl radical 2A"Cs
509 C3H6 Cyclopropane 1A1'D3h
510 CH2CHCH3 Propene 1A'Cs
511 C3H7 n-Propyl radical 2A"C1
512 C3H7+ cyclopropane, protonated   
513 CH3CHCH3 Isopropyl radical 2AC2
514 CH3CHCH3+ Isopropyl cation 1AC2
515 C3H8 Propane 1A1C2v
516 Si3H8 trisilane   
517 LiCN lithium cyanide 1ΣC*V LiCN
518 LiCN lithium cyanide 1A'Cs
519 LiCN lithium cyanide 1ΣC*V LiNC
520 NaCN Sodium Cyanide 1ΣC∞v
521 NaCN Sodium Cyanide 1ACs
522 NaCN Sodium Cyanide 1ΣC∞v
523 ZnCN Zinc monocyanide 2ΣC∞v
524 ZnNC Zinc isocyanide 2ΣC∞v
525 AlCN Aluminum monocyanide   
526 AlNC Aluminum isocyanide   
527 CN2 3H-Diazirin-3-ylidene 1A1C2v
528 CNN Diazocarbene   
529 NCN Cyanoimidogen 3ΣgD∞h
530 NCN Cyanoimidogen 1ΣgD∞h
531 N3 azide radical 2ΠgD∞h
532 N3+ azide cation 3ΣgD∞h
533 N3+ azide cation 3ΣC∞v
534 HCCN cyanomethylene 3A"Cs
535 HCCN cyanomethylene 3ΣC∞v
536 HCCN cyanomethylene   
537 HN3 hydrogen azide 1A'Cs
538 HN3+ Hydrazoic acid cation   
539 HNCNH diiminomethane 1AC2
540 NH2CN cyanamide 1A1C2v
541 HNNNH+ 1,2-Triazadienium   
542 NH2NN+ hydrazoic acid, protonated   
543 CH3CN Acetonitrile 1A1C3v
544 CH3CN- acetonitrile anion 2EC3v
545 CH3CN- acetonitrile anion 2A'Cs
546 CHNCH2 2H-Azirine   
547 CHNHCH 1H-Azirine   
548 H2CCNH Ethenimine   
549 H2CNCH methyleneaminomethylene   
550 HCCNH2 Ethynamine   
551 HCNCH2+ 2H-Azirine cation   
552 HNCNH2+ diiminomethane, protonated 1A'Cs
553 NCNH3+ Cyanamide, protonated 1A1C3v
554 NH2CNH+ cyanamide, cn protonated   
555 NH3CN+ cyanamide, amine protonated   
556 CH2CHNH vinylazine 2A"CS cis
557 CH2CHNH vinylazine 2A"CS trans
558 CH3CHNH ethanimine 1A'CS NH down
559 C2H5NH+ Protonated Aziridine 1A1C2v
560 C2H6N+ aziridine, protonated 1A1C2v
561 CH3CH2NH2 Ethylamine   
562 CH3PHCH3 dimethylphosphine 1A'Cs
563 (CH3)2NH2+ dimethylammonium cation 1A1C2v
564 CH3CH2NH3+ ethylamine, protonated 1A'Cs
565 Li2O dilithium oxide 1ΣgD∞h
566 Li2S dilithium sulfide 1ΣGD∞h
567 Li2S dilithium sulfide 1A1C2v
568 Na2O disodium monoxide 1ΣgLinear
569 Na2O disodium monoxide 1A1C2v
570 Na2S Sodium sulfide   
571 Na2S Sodium sulfide   
572 LiO2 Lithium dioxide   
573 NaO2 Sodium superoxide   
574 CCO Dicarbon monoxide 3ΣC∞v
575 CCO Dicarbon monoxide 1ΠC∞v
576 NCO isocyanato radical 2ΠC∞v
577 N2O Nitrous oxide 1ΣC∞v
578 N2O- Nitrous oxide anion 2A'Cs
579 CO2 Carbon dioxide 1ΣgD∞h
580 OCS Carbonyl sulfide 1ΣC∞v
581 CS2 Carbon disulfide 1ΣgD∞h
582 TiO2 Titanium dioxide 1A1C2v
583 SiS2 Silicon disulfide 1ΣGD∞h
584 GeO2 Germanium dioxide 1ΣgD∞h
585 OCSe Carbonyl selenide 1ΣC∞v
586 SCSe Carbon sulfide selenide   
587 CSe2 Carbon diselenide 1A1D∞h
588 NO2 Nitrogen dioxide 2A1C2v
589 NO2+ Nitrogen dioxide cation 1ΣGD∞h
590 NSO sulfinyl amidogen   
591 SNO Nitrogen oxide sulfide   
592 O3 Ozone 1A1Cs
593 SO2 Sulfur dioxide 1A1C2v
594 SSO Disulfur monoxide 1A'Cs
595 S3 Sulfur trimer 1A1C2v
596 S3 Sulfur trimer   
597 S3+ Sulfur trimer cation 2B2C2v
598 SeO2 Selenium dioxide 1A1C2v
599 SeO2+ Selenium dioxide cation 2A1C2v
600 HCCO ketenyl radical 2ΠC∞v
601 HCCO ketenyl radical 2A"Cs
602 HCNO fulminic acid 1ΣC∞v
603 HCNO fulminic acid 1A'Cs
604 HNCS Isothiocyanic acid   
605 HSCN thiocyanic acid 1A'Cs
606 HNNO+ Nitrous oxide, N-protonated 1A'Cs
607 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
608 HOCO Hydrocarboxyl radical 1A'cis
609 HOCO Hydrocarboxyl radical 1A'trans
610 O3H+ protonated ozone 1A'Cs
611 O3H+ protonated ozone   
612 SO2H+ protonated sulfur dioxide 1A'Cs
613 C2H2O Oxirene 1A1C2v
614 CH2CO Ketene 1A1C2v
615 CH2CS Thioketene   
616 Be(OH)2 Beryllium hydroxide   
617 NH2NO Nitrosamide 1AC1
618 H2COO Dioxymethyl radical 2A'Cs
619 H2COO+ dioxymethyl cation 2A'Cs
620 HCOOH Formic acid 1A'Cs
621 HCOOH Formic acid   
622 HSSSH trisulfane 1A'Cs
623 CH2BOH hydroxy(methylene)borane 1A'Cs
624 BH3CO Borane carbonyl 1A1C3v
625 CH3BO Borane, methyloxo- 1A1C3v
626 CH2COH+ ketene, protonated   
627 CH2NOH formaldoxime 1A'Cs
628 CH3NO nitrosomethane 1A'Cs
629 CNOH3 1,2-oxaziridine 1AC1
630 HOCHNH hydroxymethylimine 1A'CS H all up
631 HOCHNH hydroxymethylimine 1A'CS CH up
632 CHSNH2 thioformamide   
633 NHCHSH Methanimidothioic acid   
634 C2H4O Ethylene oxide 1A1C2v
635 C2H4O+ ethylene oxide cation   
636 CH3CHO Acetaldehyde 1A'Cs
637 CH3CHO+ acetaldehyde cation   
638 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
639 C2H4S Thiirane 1A1C2v
640 CH2CHSH Ethenethiol   
641 CH3CHS Thioacetaldehyde 1A'C1
642 NH2CHOH+ Formamide, O-protonated   
643 CH3SSH Hydrogen methyl disulfide   
644 HSCH2SH Methanedithiol   
645 C2H4OH+ ethylene oxide, protonated 1A'Cs
646 CH3CHOH 1-hydroxy-ethyl radical 2AC1
647 CH3CHOH+ acetaldehyde, protonated 1A'Cs
648 NH2CH2OH aminomethanol   
649 CH3CH2OH Ethanol 1A'Cs
650 CH3OCH3 Dimethyl ether 1A1C2v
651 CH3CH2SH ethanethiol 1A'Cs
652 CH3CH2SH ethanethiol 1AC1
653 CH3SCH3 Dimethyl sulfide 1A1C2v
654 CH3SCH3+ dimethyl sulfide cation   
655 CH3SeCH3 dimethylselenide 1A1C2v
656 CuF2 Copper difluoride 2ΠgD∞h
657 CNF iso cyanogen fluoride 1ΣC∞v
658 BrCN Cyanogen bromide 1ΣC∞v
659 FBO Boron monofluoride monoxide   
660 BeBr2 Beryllium bromide   
661 FCO Carbonyl fluoride 2A'Cs
662 FCO+ Carbonyl fluoride cation 1ΣC∞v
663 ClCO carbonyl monochloride 2A'Cs
664 BF2 Boron difluoride radical 2A1C2v
665 FNO Nitrosyl fluoride 1A'Cs
666 ClNO Nitrosyl chloride 1A'Cs
667 FNS Thionitrosyl fluoride 1A'Cs
668 FSN Thiazyl fluoride 1A'Cs
669 OPCl Phosphorus oxychloride   
670 CF2 Difluoromethylene 1A1D∞h
671 CFCl chlorofluoromethylene 1A'Cs
672 SiF2 Silicon difluoride 1A1C2v
673 SiF2+ Silicon difluoride cation 2A1C2v
674 GeCl2 Germanium dichloride 1A1C2v
675 CBr2 dibromomethylene 1A1C2v
676 CBr2 dibromomethylene 3B1C2v
677 FOO+ Fluorine dioxide cation   
678 OClO Chlorine dioxide 2B1D∞h
679 OClO- Chlorine dioxide anion 1A'Cs
680 ClSO Sulfur chloride oxide 2A"Cs
681 BrOO Bromine dioxide   
682 OBrO Bromine dioxide radical 2B1C2v
683 PF2 Phosphorus difluoride   
684 PF2+ Phosphorus difluoride cation   
685 FClO chlorosyl fluoride 1A'Cs
686 ClOF Chlorine hypofluorite 1A'Cs
687 SF2 sulfur difluoride 1A1C2v
688 SCl2 Sulfur dichloride 1A1C2v
689 SeF2 Selenium difluoride   
690 SeCl2 Selenium Dichloride   
691 SBr2 Sulfur dibromide   
692 SeBr2 Selenium dibromide   
693 Br3- tribromide anion   
694 SFCl Sulfur chloride fluoride   
695 HCCF Fluoroacetylene 1ΣC∞v
696 HCCCl Chloroacetylene 1ΣC∞v
697 HCCBr bromoacetylene 1ΣC∞v
698 HFCO+ formyl fluoride cation 2A'Cs
699 CHCl2 dichloromethyl radical 2B1C2v
700 CHCl2 dichloromethyl radical 2A'Cs
701 CHF2 difluoromethyl radical 2ACs
702 CHF2+ difluoromethyl cation   
703 CHFCl Chlorofluoromethyl radical   
704 CHFCl+ Chlorofluoromethyl cation   
705 CHCl2+ dichloromethyl cation   
706 CHBr2 dibromomethyl radical   
707 NHF2 difluoramine   
708 NHCl2 dichloroamine   
709 CH2F2 Methane, difluoro- 1A1C2v
710 SiH2F2 difluorosilane   
711 CH2Cl2 Methylene chloride 1A1C2v
712 CH2BrF Methane, bromofluoro- 1A'Cs
713 CH2BrCl Methane, bromochloro- 1A'Cs
714 CH2Br2 dibromomethane 1A1C2v
715 SiH2Cl2 dichlorosilane 1A1C2v
716 CH3MgBr Methyl Magnesium Bromide   
717 CH2CHF Ethene, fluoro- 1A'Cs
718 CH2FOH fluoromethanol   
719 CH2CH2Cl 2-chloroethyl radical 2A'Cs
720 CHClCH3 1-chloroethyl radical 2AC1
721 C2H5Br Ethyl bromide 1A'Cs
722 B4H10 Tetraborane(10) 1A1C2v
723 C4 Carbon tetramer 3ΣgD∞h
724 C4 Carbon tetramer   
725 C4H2 Diacetylene 1ΣgD∞h
726 C4H2+ diacetlyene cation 2ΠgD∞h
727 C4H4 Tetrahedrane   
728 C4H6 1-Methylcyclopropene 1AC1
729 CHCCH2CH3 1-Butyne 1A'Cs
730 C4H8 methylcyclopropane 1A'Cs
731 CH2CHCH2CH3 1-Butene 1AC1
732 CH3CH2CH2CH3 Butane 1AgAnti
733 CH3CH2CH2CH3 Butane 1AGauche
734 Li3N trilithium nitride 1A'D3h
735 Li3N trilithium nitride 1A1C3v
736 C2N2 Cyanogen 1ΣgD∞h
737 As4 Arsenic tetramer 1A1Td
738 HCCCN+ Cyanoacetylene cation 2ΠC∞v
739 H2CNCN cyanamide, methylene   
740 HNCCNH Ethenediimine   
741 C3H3N+ acrylonitrile cation 2A"Cs
742 CH3N3 methyl azide 1A'Cs
743 NH2CCNH2 Diaminoacetylene 1AC2
744 NH2CH2CN Aminoacetonitrile 1A'Cs
745 CH3NHN2+ methyl azide, protonated 1AC1
746 C2H5CN ethyl cyanide 1A'Cs
747 C4H6 Bicyclo[1.1.0]butane 1A1C2v
748 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
749 H2NCHCHNH2 diaminoethylene   
750 CH7N3 triaminomethane   
751 C4H8 cyclobutane 1A1D2d
752 NH2CH2CH2CH3 1-Propanamine 1A'Cs
753 P(CH3)3 trimethylphosphine 1A1C3v
754 N(SiH3)3 trisilylamine   
755 (CH3)3NH+ protonated trimethyl amine   
756 C3H7NH3+ n-propylamine, protonated 1A'Cs
757 C3O Tricarbon monoxide 1ΣC∞v
758 ONNO NO dimer 1Agtrans C2H
759 ONNO NO dimer 1A1cis C2V
760 S2N2 Disulfur dinitride 1AGD2h
761 CO3 Carbon trioxide 1A1C2v
762 CS3-- Carbonotrithioate   
763 NO3- nitrate anion 1A1'D3h
764 SO3 Sulfur trioxide 1A1'D3h
765 SO3-- Sulfate dianion   
766 S4 Sulfur tetramer   
767 S4 Sulfur tetramer   
768 S4 Sulfur tetramer   
769 HNO3 Nitric acid 1A'Cs
770 NH2NO2 nitramide 1A'Cs
771 C3H2O Propadienal   
772 C3H2O Propadienal   
773 C2H2O2 Ethanedial 1AgC2h
774 H2SO3 Sulfurous acid 1A'Cs
775 C2H3NO Nitrosoethylene   
776 CH3NCO methylisocyante   
777 HOCH2CN cyanomethanol   
778 CH3NO2 Methane, nitro- 1A'Cs
779 NH2COOH Carbamic acid 1A'Cs
780 NH2COOH Carbamic acid 1AC1
781 H3AlO3 Aluminum hydroxide   
782 CH2CHCHO Acrolein 1A'Cs
783 CH2CHCHO Acrolein   
784 NH2CONH2 Urea 1AC2
785 NH2CONH2 Urea 1A'Cs
786 NH2CONH2 Urea 1A1C2v
787 NH2COOH2+ Carbamic acid, O-protonated 1AC1
788 NH3COOH+ protonated Carbamic acid 1A'Cs
789 CH3COCH2 Acetonyl radical 2A"Cs
790 CH2C(OH)NH2 1-amino vinyl alchohol   
791 CH3C(OH)=NH Ethaninidic acid   
792 CH3CHNOH Acetaldoxime 1A'CS cis
793 HCONHCH3 N-methylformamide 1A'CS cis
794 HCONHCH3 N-methylformamide 1A'CS trans
795 CH3CSNH2 Ethanethioamide   
796 CH5N2O+ urea, N-protonated 1A'Cs
797 H2NCOHNH2+ urea, protonated 1A'Cs
798 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
799 C3H5OH Cyclopropanol 1AC1
800 C3H6O 2-Propen-1-ol 1AC1
801 C3H6O Acetone enol 1A'Cs
802 C3H6O Oxetane 1A1C2v
803 C3H6O Oxetane 1A'Cs
804 CH3CH2CHO Propanal 1A'Cs
805 CH3COCH3 Acetone 1A1C2v
806 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
807 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
808 C3H7OH 1-Propanol   
809 CH3OC2H5 Ethane, methoxy- 1A'Cs
810 Li2F2 Lithium fluoride dimer   
811 FNO2 Nitryl fluoride 1A1C2v
812 FONO Nitrosyl hypofluorite 1A'CS cis
813 ClONO chlorine nitrite 1A'CS cis
814 CF2O Carbonic difluoride 1A1C2v
815 CF2O+ Carbonic difluoride cation   
816 BF3+ boron trifluoride cation 2B2C2v
817 BF3+ boron trifluoride cation   
818 BClF2 Chlorodifluoroborane   
819 ScF3 Scandium trifluoride 1A1'D3h
820 BCl3 Borane, trichloro- 1A1'D3h
821 BCl3+ Boron Trichloride cation   
822 GaF3 Gallium trifluoride 1A1'D3h
823 GaCl3 Gallium trichloride 1A1'D3h
824 CF3- Trifluoromethyl anion 1A1C3v
825 CF3+ Trifluoromethyl cation 1A1'D3h
826 CF2Cl difluorochloromethyl radical   
827 SiF3 Silicon trifluoride radical 2A1C3v
828 SiF3+ Silicon trifluoride cation 1A1'D3h
829 CFCl2 dichlorofluoromethyl radical   
830 CBr3 tribromomethyl radical   
831 ClO2F Chloryl fluoride 1A'Cs
832 ClOOCl Dichlorine dioxide 1AC2
833 SSCl2 Thiothionyl chloride   
834 NF3 Nitrogen trifluoride 1A1C3v
835 NCl3 nitrogen trichloride 1A1C3v
836 AsCl3 Arsenous trichloride 1A1C3v
837 NBr3 Nitrogen Tribromide 1A1C3v
838 ClF3 Chlorine trifluoride 1A1'D3h
839 ClF3 Chlorine trifluoride 1A1C2v
840 HClO3 Chloric Acid 1A'Cs
841 HClO3 Chloric Acid 1AC1
842 CHF3 Methane, trifluoro- 1A1C3v
843 SiHF3 trifluorosilane   
844 CHCl3 Chloroform 1A1C3v
845 CHBrF2 Methane, bromodifluoro- 1A'Cs
846 CHFClBr fluorochlorobromomethane 1AC1
847 CHBrCl2 Methane, bromodichloro- 1A'Cs
848 CHBr2F dibromofluoromethane   
849 NF3H+ protonated nitrogen trifluoride 1A1C3v
850 AsF3H+ Arsenic trifluoride, protonated   
851 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
852 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
853 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
854 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
855 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
856 C2H4F2 1,2-difluoroethane 1AgC2H anti
857 C2H4F2 1,2-difluoroethane 1AC2 gauche
858 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
859 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
860 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
861 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
862 CH2BrCH2Cl 1-bromo-2-chloroethane   
863 CH2BrCH2Cl 1-bromo-2-chloroethane   
864 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
865 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
866 CH2CHCH2F Allyl Fluoride   
867 CH2CHCH2F Allyl Fluoride   
868 CH3CHCHF trans-1-Fluoro-1-propene   
869 CH2FCH2OH 2-fluoroethanol   
870 CH2ClCH2OH 2-Chloroethanol 1A'Cs
871 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
872 CH2FCH2CH3 1-Fluoropropane 1A'Cs
873 CH2FCH2CH3 1-Fluoropropane   
874 CH3CHFCH3 2-Fluoropropane 1A'Cs
875 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
876 B5H9 pentaborane9   
877 C5H4 pentatetraene   
878 C5H6 Propellane 1A1D3h
879 C5H8 Bicyclo[1.1.1]pentane   
880 C5H8 Ethenylcyclopropane 1A'Cs
881 CH2N4 1H-Tetrazole 1A'Cs
882 C3H3N2 imidazolyl radical 2B1C2v
883 C3H3N2- imidizolyl anion 1A1C2v
884 C4H4N pyrrolide radical 2A2C2v
885 C4H4N- pyrrolide anion 1A1C2v
886 C3H4N2 1H-Imidazole 1A'Cs
887 C3H4N2 2H-Imidazole 1A1C2v
888 C3H4N2 4H-Imidazole 1A'Cs
889 C4H5N Pyrrole 1A1C2v
890 C4H6N+ pyrrole, alpha-protonated 1A'Cs
891 C4H6N+ pyrrole, beta-protonated 1A'Cs
892 C4H6N+ pyrrole, protonated 1A1C2v
893 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
894 CH3CH2CH2CN Butanenitrile 1A'Cs
895 NH(C2H5)2 diethylamine 1A'Cs
896 C3O2 Carbon suboxide 1ΣGD∞h
897 B2O3 diboron trioxide   
898 B2O3 diboron trioxide   
899 MgCO3 Magnesium Carbonate 1A1C2v
900 BeCO3 Beryllium Carbonate 1A1C2v
901 ONONO Nitrosyl nitrite 1A1C2v
902 CHOOCHO diformyl ether   
903 C3H3NO Isoxazole 1A'Cs
904 C3H3NO Oxazole 1A'Cs
905 C3H3NS Thiazole   
906 C4H4O Furan 1A1C2
907 CH3COCCH 3-butyn-2-one 1A'Cs
908 C4H4Se selenophene   
909 CH3OCH2CN Methoxyacetonitrile 1A'Cs
910 CH3OCH2CN Methoxyacetonitrile 1AC1
911 CH3SO2NH2 methanesulfonamide 1A'Cs
912 CH2CHSCHCH2 Divinyl sulfide   
913 HCOOC2H5 Ethyl formate 1A'Cs
914 C2H6O2S Dimethyl sulfone 1A1C2v
915 C4H8S Thiophene, tetrahydro- 1AC1
916 C4H10O Ethoxy ethane 1A1C2v
917 C4H10O Methyl propyl ether 1AC1
918 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
919 C4H9SH 1-Butanethiol   
920 BrONO2 Bromine nitrate 1A'Cs
921 CF3Cl Methane, chlorotrifluoro- 1A1C3v
922 CF2Cl2 difluorodichloromethane 1A1C2v
923 TiF4 Titanium tetrafluoride 1A1Td
924 CF3Br Bromotrifluoromethane 1A1C3v
925 GeF4 Germanium tetrafluoride 1A1Td
926 CCl4 Carbon tetrachloride 1A1Td
927 CBrCl2F bromodichlorofluoromethane   
928 CBr2ClF dibromochlorofluoromethane   
929 CBr2Cl2 dibromodichloromethane 1A1C2v
930 CFBr3 fluorotribromomethane 1A1C3v
931 CBr3Cl tribromochloromethane 1A1C3v
932 SiBr4 Silicon tetrabromide 1A1Td
933 GeBr4 Germanium tetrabromide   
934 ClOF3 Chlorine trifluoride oxide 1A'Cs
935 SF4 Sulfur tetrafluoride 1A1C2v
936 SeF4 Selenium tetrafluoride   
937 SCl4 Sulfur tetrachloride   
938 CH2ClCCCl 1,3-dichloropropyne   
939 CHCl2CCH 3,3-dichloropropyne   
940 CHCl2CHO dichloroacetaldehyde   
941 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
942 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
943 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
944 SiH3CCl3 (trichloromethyl)silane 1A1C3v
945 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
946 CH2FCH2CH2F 1,3-difluoropropane   
947 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
948 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
949 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
950 C2H2N2O Furazan   
951 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
952 NH3BF3 Amminetrifluoroboron 1A1C3v
953 C6H2 hexatriyne 1ΣgD∞h
954 C6H6 Prismane   
955 C6H6 1,2,4,5-Hexatetraene 1AgC2h
956 C6H6 Benzene 1A1gD6h
957 C6H6 Benzvalene 1A1C2v
958 C6H6 Dewar Benzene   
959 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
960 C6H6 Trimethylenecycopropane 1A'D3h
961 C6H7+ benzene, protonated 1A1C2v
962 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
963 C6H10 1,5-Hexadiene 1AgC2
964 C6H10 3-Hexyne 1A1C2v
965 C6H12 2,3-dimethylbut-1-ene 1A'C2
966 C6H12 hex-1-ene 1A'Cs
967 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
968 C4H2N2 Fumaronitrile 1AgC2h
969 C5H6N+ Pyridinium 1A1C2v
970 MgSO4 Magnesium Sulfate 1A1C2v
971 N2O4 Dinitrogen tetroxide 1AgD2d
972 C3H2O3 vinylene carbonate   
973 C2H2O4 Oxalic Acid 1AgC2h
974 C2H4N2S2 Ethanedithioamide 1AGC2h
975 C2H4CO3 Ethylene carbonate 1A1C2v
976 C2H4CO3 Ethylene carbonate 1AC2
977 C2H4O4 Formic acid dimer 1AGC2h
978 C5H6O 2H-Pyran   
979 C5H6O Pentadienal   
980 C4H6O2 γ–Butyrolactone 1AC1
981 C3H6O3 1,3,5-Trioxane 1A1C1
982 C3H6S3 1,3,5-Trithiane 1A1C3v
983 C5H8O Cyclopentanone 1AC2
984 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
985 C4H8O2 Ethyl acetate 1A'Cs
986 C5H10O 2-methylbutyraldehyde 1AC1
987 C5H10O 3-Pentanone 1A1C2v
988 C4F2 difluorobutadiyne   
989 ClCOClCO Oxalyl chloride 1AGC2h
990 C2ClF3 Ethene, chlorotrifluoro-   
991 CF2CCl2 difluorodichloroethylene 1A1C2v
992 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
993 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
994 C2Br4 tetrabromoethene   
995 CF3OF Trifluoromethylhypofluorite 1A'Cs
996 SiF5- silicon pentafluoride anion   
997 SOF4 Sulfur tetrafluoride oxide 1A1C2v
998 PF5 Phosphorus pentafluoride 1A1'D3h
999 SF5+ pentafluoro sulfur cation 1A1'D3h
1000 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1001 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1002 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1003 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1004 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1005 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1006 C4H8O2 Butanoic acid 1AC1
1007 C7H7 cycloheptatrienyl radical 2A2C2v
1008 C7H7+ cycloheptatrienyl cation 1A1'D7h
1009 CH(CN)3 tricyanomethane   
1010 HN=C=C(CN)2 Dicyanoketenimine   
1011 C5H4O2 furfural 1A'OCCO cis
1012 C5H4O2 furfural 1A'OCCO trans
1013 C6H6O 2,5-Cyclohexadienone 1A1C2v
1014 C5H8O2 Acetylacetone 1AC2
1015 C7H10 Norbornene   
1016 C6H12O Oxepane   
1017 F2CCCF2 tetrafluoroallene   
1018 CF3COO- trifluoro acetate anion 1A'Cs
1019 PF6 Hexafluorophosphate neutral 2B2C2v
1020 PF6- Hexafluorophosphate ion 1A1GOh
1021 SF6 Sulfur Hexafluoride 1A1GOh
1022 SeF6 Selenium hexafluoride 1A1GOh
1023 SF5Cl sulfur chloropentafluoride 1A1C4v
1024 CF3CHF2 pentafluoroethane 1A'Cs
1025 C8H8 cubane 1A1GOh
1026 C6H12N2 Triethylenediamine 1A1D3
1027 S4N4 Tetrasulfur tetranitride   
1028 C6H5CHO benzaldehyde 1A'Cs
1029 C5H9NO2 Proline 1AC1
1030 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1031 C2Cl6 hexachloroethane 1A1gD3d
1032 C6H4F2 1,4-difluorobenzene 1AgD2h
1033 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1034 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
1035 C6H4Cl2 1,4-dichlorobenzene   
1036 C6H5NO nitrosobenzene 1A'Cs
1037 C(CN)4 tetracyanomethane 1A1Td
1038 C3H3N3O3 cyanuric acid 1A1'D3h
1039 C3F6 hexafluoropropene   
1040 C10H8 Azulene 1A1C2v
1041 C10H8 naphthalene 1AgD2h
1042 C10H10 bullvalene   
1043 C10H22 Decane 1AGC2h
1044 B12H12-- Dodecahydrododecaborate(2-)   
1045 S2F10 disulphur decafluoride   
1046 C13H10 Fluorene   
1047 C14H14 Bibenzyl 1AC2
1048 C6H5COC6H5 benzophenone 1AC2
1049 C19H16 Triphenylmethane 1AC3
1050 C60 Buckminsterfullerene 1AGIh

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 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 HeH Helium hydride heh  
10 Li Lithium atom li  
11 Li+ Lithium atom cation li+  
12 Na Sodium atom na  
13 Na- Sodium atom anion na-  
14 Na+ Sodium atom cation na+  
15 K Potassium atom k  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 LiH Lithium Hydride lih  
22 LiH- lithium hydride anion lih-  
23 NaH- sodium hydride anion nah-  
24 NaH+ sodium hydride cation nah+  
25 KH Potassium hydride kh  
26 KH+ Potassium hydrogen cation kh+  
27 Be Beryllium atom be  
28 Be- Beryllium atom anion be-  
29 Be+ Beryllium atom cation be+  
30 Mg Magnesium atom mg  
31 Mg- Magnesium atom anion mg-  
32 Mg+ Magnesium atom cation mg+  
33 Ca Calcium atom ca  
34 Ca- Calcium atom anion ca-  
35 Ca+ Calcium atom cation ca+  
36 Zn Zinc atom zn  
37 Zn- Zinc atom anion zn-  
38 Zn+ Zinc atom cation zn+  
39 BeH- berylium monohydride anion beh-  
40 BeH+ beryllium monohydride cation beh+  
41 MgH- magnesium monohydride anion mgh-  
42 MgH+ magnesium monohydride cation mgh+  
43 CaH Calcium monohydride cah  
44 CaH+ Calcium monohydride cation cah+  
45 ZnH Zinc monohydride znh  
46 CaH2 Calcium Hydride cah2  
47 ZnH2 Zinc hydride znh2  
48 B Boron atom b  
49 B- Boron atom anion b-  
50 B+ Boron atom cation b+  
51 BH- boron monohydride anion bh-  
52 BH+ boron monohydride cation bh+  
53 AlH aluminum monohydride alh  
54 AlH- aluminum monohydride anion alh-  
55 AlH+ aluminum monohydride cation alh+  
56 BH2 boron dihydride bh2  
57 BH2- boron dihydride anion bh2-  
58 BH2+ Boron dihydride cation bh2+  
59 AlH2 aluminum dihydride alh2  
60 AlH2- aluminum dihydride anion alh2-  
61 AlH2+ aluminum dihydride cation alh2+  
62 BH3- boron trihydride anion bh3-  
63 AlH3+ aluminum trihydride cation alh3+  
64 AlH4- Aluminum tetrahydride anion alh4-  
65 C- Carbon atom anion c-  
66 C+ Carbon atom cation c+  
67 Si Silicon atom si  
68 Si+ Silicon atom cation si+  
69 Ti Titanium atom ti  
70 Ti- Titanium atom anion ti-  
71 Ti+ Titanium atom cation ti+  
72 Sn Tin atom sn  
73 Sn+ Tin cation sn+  
74 CH- methylidyne anion ch-  
75 CH+ Methylidyne cation ch+  
76 SiH- silicon monohydride anion sih-  
77 SiH2- silicon dihydride anion sih2-  
78 SiH2+ silicon dihydride cation sih2+  
79 GeH2- germylene anion geh2-  
80 SiH3- Silyl anion sih3-  
81 CD4 methane-d4 cd4  
82 CH2D2 methane-d2 ch2d2  
83 CH3D methane-d ch3d  
84 CH4+ Methane cation ch4+  
85 CHD3 methane-d3 chd3  
86 SiH4+ Silane cation sih4+  
87 SnH4 Stannane snh4  
88 N- Nitrogen atom anion n-  
89 N+ Nitrogen atom cation n+  
90 P- Phosphorus atom anion p-  
91 P+ Phosphorus atom cation p+  
92 Sb Antimony atom sb  
93 NH Imidogen nh  
94 NH- Imidogen anion nh-  
95 NH+ imidogen cation nh+  
96 PH- phosphorus monohydride anion ph-  
97 PH+ phosphorus monohydride cation ph+  
98 AsH+ Arsenic monohydride cation ash+  
99 SbH Antimony monohydride sbh  
100 ND2 Amidogen-d2 nd2  
101 NH2- amino anion nh2-  
102 PH2 Phosphino radical ph2  
103 PH2- Phosphino anion ph2-  
104 PH2+ Phosphino cation ph2+  
105 AsH2 Arsenic dihydride ash2  
106 AsH2+ Arsenic dihydride cation ash2+  
107 ND3 Ammonia-d3 nd3  
108 SbH3 Stibine sbh3  
109 O- Oxygen atom anion o-  
110 O+ Oxygen atom cation o+  
111 Cr Chromium atom cr  
112 Te Tellurium atom te  
113 Te+ Tellurium atom cation te+  
114 DO Hydroxyl-d od  
115 DS Mercapto-d ds  
116 TeH Telluryl radical teh  
117 D2O Deuterium oxide d2o  
118 D2S Hydrogen sulfide-d2 d2s  
119 H2Te Hydrogen Telluride h2te  
120 Mn Manganese atom mn  
121 I Iodine atom iodine  
122 I- Iodine atom anion iodine-  
123 I+ Iodine atom cation iodine+  
124 DF Hydrofluoric acid-d df  
125 DCl Hydrochloric acid-d dcl  
126 HI Hydrogen iodide hi  
127 HI+ Hydrogen iodide cation hi+  
128 H2F+ dihydrogen fluoride cation h2f+  
129 H2I+ Iodonium h2i+  
130 Ne- Neon atom anion ne-  
131 Ne+ Neon atom cation ne+  
132 Ar Argon atom ar  
133 Ar- Argon atom anion ar-  
134 Ar+ Argon atom cation ar+  
135 Fe Iron atom fe  
136 Xe Xenon atom xe  
137 NeH+ neon hydrogen cation neh+  
138 XeH+ Xenon, protonated xeh+  
139 Co Cobalt atom cobalt  
140 Ni Nickel atom ni  
141 Li2 Lithium diatomic li2  
142 Li2- lithium diatomic anion li2-  
143 NaLi- lithium sodium anion lina-  
144 NaLi+ lithium sodium cation lina+  
145 LiK Lithium Potassium lik  
146 NaK Sodium Potassium nak  
147 NaK+ Sodium Potassium diatomic cation nak+  
148 K2 Potassium diatomic k2  
149 Cu2 Copper diatomic cu2  
150 LiBe Lithium Beryllium libe  
151 LiMg Lithium magnesium limg  
152 NaBe Sodium Beryllium nabe  
153 NaMg Sodium Magnesium namg  
154 Be2- Beryllium diatomic anion be2-  
155 Be2+ Beryllium diatomic cation be2+  
156 Mg2- magnesium diatomic anion mg2-  
157 Mg2+ magnesium diatomic cation mg2+  
158 Ca2 Calcium diatomic ca2  
159 B2- Boron diatomic anion b2-  
160 Al2 Aluminum diatomic al2  
161 Al2- aluminum diatomic anion al2-  
162 Al2+ aluminum diatomic cation al2+  
163 LiBH4 Lithium borohydride libh4  
164 Al2H6 dialane al2h6  
165 LiC Lithium Carbide lic  
166 CaC Calcium monocarbide cac  
167 BC boron monocarbide bc  
168 BC- boron monocarbide anion bc-  
169 BC+ boron monocarbide cation bc+  
170 C2- carbon diatomic anion c2-  
171 SiC- silicon monocarbide anion sic-  
172 SiC+ silicon monocarbide cation sic+  
173 Si2 Silicon diatomic si2  
174 Si2- silcon diatomic anion si2-  
175 Si2+ silcon diatomic cation si2+  
176 Ge2 Germanium diatomic ge2  
177 C2H+ Ethynyl cation c2h+  
178 ZnCH2 Zinc methylene znch2  
179 CCH2 vinylidene vinylidene  
180 CuCH3 monomethyl copper cuch3  
181 ZnCH3 Zinc monomethyl znch3  
182 CH3CH methylmethylene ch3ch  
183 CH2SiH2 silaethylene ch2sih2  
184 C2H5- Ethyl anion c2h5-  
185 C2H5+ Ethyl cation c2h5+  
186 C2H6+ ethane cation c2h6+  
187 CH3SiH3 methyl silane ch3sih3  
188 GeH3CH3 methyl germane geh3ch3  
189 C2H7+ Ethane, protonated c2h7+  
190 LiN+ Lithium Nitride cation lin+  
191 BeN Beryllium mononitride ben  
192 BeN- Beryllium mononitride anion ben-  
193 BN- boron nitride anion bn-  
194 AlN- aluminum mononitride anion aln-  
195 AlN+ aluminum mononitride cation aln+  
196 GaN Gallium mononitride gan  
197 BN+ boron nitride cation bn+  
198 AlN Aluminum nitride aln  
199 CN+ Cyano cation cn+  
200 CP Carbon monophosphide cp  
201 CP- carbon monophosphide anion cp-  
202 CP+ carbon monophosphide cation cp+  
203 SiN Silicon nitride sin  
204 SiN- silicon mononitride anion sin-  
205 SiN+ silicon mononitride cation sin+  
206 SiP- Silicon monophosphide anion sip-  
207 SiP+ Silicon monophosphide cation sip+  
208 TiN Titanium mononitride tin  
209 PN- phosphorus nitride anion pn-  
210 PN+ phosphorus nitride cation pn+  
211 P2- phosphorus diatomic anion p2-  
212 P2+ phosphorus diatomic cation p2+  
213 AsN Arsenic mononitride asn  
214 AsP Arsenic monophosphide asp  
215 SbN Antimony nitride sbn  
216 As2 Arsenic diatomic as2  
217 HNB hydrogen nitrogen boron hnb  
218 HNC hydrogen isocyanide hnc  
219 HCN- Hydrogen cyanide anion hcn-  
220 HCP Phosphaethyne hcp  
221 NNH Dinitrogen monohydride nnh  
222 HPO Hydrogen phosphorus oxide hpo  
223 HPO+ Hydrogen phosphorus oxide cation hpo+  
224 CNH2+ N-protonated hydrogen isocyanide cnh2+  
225 H2CN+ hydrocyanonium cation h2cn+  
226 HCNH methyleneazane hcnh  
227 HCNH+ N-protonated HCN hcnh+  
228 CH2PH Phosphaethene ch3p  
229 P2H4 Diphosphine p2h4  
230 CH3PH2 Methyl phosphine ch3ph2  
231 CH3NH3+ protonated methylamine ch3nh3+  
232 LiO- lithium oxide anion lio-  
233 LiO+ lithium oxide cation lio+  
234 NaO- sodium oxide anion nao-  
235 NaO+ sodium oxide cation nao+  
236 KO Potassium monoxide ko  
237 KO+ Potassium monoxide cation ko+  
238 CuO Copper Monoxide cuo  
239 BeO- Beryllium monoxide anion beo-  
240 BeO+ Beryllium monoxide cation beo+  
241 BeS beryllium sulfide bes  
242 MgO magnesium oxide mgo  
243 MgO- magnesium oxide anion mgo-  
244 MgO+ magnesium oxide cation mgo+  
245 CaO Calcium monoxide cao  
246 MgS magnesium sulfide mgs  
247 MgS- magnesium sulfide anion mgs-  
248 MgS+ magnesium sulfide cation mgs+  
249 CaS Calcium sulfide cas  
250 ZnO zinc monoxide zno  
251 ZnS Zinc sulfide zns  
252 BeS- Beryllium monosulfide anion bes-  
253 BeS+ Beryllium monosulfide cation bes+  
254 BO- boron monoxide anion bo-  
255 AlO Aluminum monoxide alo  
256 AlO- Aluminum monoxide anion alo-  
257 AlO+ aluminum monoxide cation alo+  
258 BS boron sulfide bs  
259 BS- boron monosulfide anion bs-  
260 BS+ boron monosulfide cation bs+  
261 AlS Aluminum sulfide als  
262 AlS- aluminum monosulfide anion als-  
263 AlS+ aluminum monosulfide cation als+  
264 BO+ boron monoxide cation bo+  
265 CS carbon monosulfide cs  
266 CS- carbon monosulfide anion cs-  
267 CS+ carbon monosulfide cation cs+  
268 SiO- silicon monoxide anion sio-  
269 SiO+ silicon monoxide cation sio+  
270 SiS- silicon monosulfide anion sis-  
271 SiS+ silicon monosulfide cation sis+  
272 CSe- Carbon monoselenide anion cse-  
273 CSe+ Carbon monoselenide cation cse+  
274 NS- nitrogen sulfide anion ns-  
275 NS+ nitrogen sulfide cation ns+  
276 PO- phosphorus monoxide anion po-  
277 PO+ phosphorus monoxide cation po+  
278 PS- phosphorus monosulfide anion ps-  
279 PS+ phosphorus monosulfide cation ps+  
280 AsO Arsenic monoxide aso  
281 SO- sulfur monoxide anion so-  
282 S2- sulfur diatomic anion s2-  
283 S2+ sulfur diatomic cation s2+  
284 SeO- selenium monoxide anion seo-  
285 SeO+ selenium monoxide cation seo+  
286 SeS Selenium monosulfide ses  
287 SeS- selenium monosulfide anion ses-  
288 SeS+ selenium monosulfide cation ses+  
289 TeO Tellurium monoxide teo  
290 Se2- selenium diatomic anion se2-  
291 Se2+ selenium diatomic cation se2+  
292 Te2 Tellurium diatomic te2  
293 NaOH sodium hydroxide naoh  
294 KOH Potassium hydroxide koh  
295 MgOH magnesium hydroxide mgoh  
296 CaOH Calcium monohydroxide caoh  
297 HCS Thioformyl radical hcs  
298 HCS- Thioformyl anion hcs-  
299 HCS+ Thioformyl cation hcs+  
300 HNO- Nitrosyl hydride anion hno-  
301 HNS Sulfur imide hns  
302 HNS- Sulfur imide anion hns-  
303 HO2- Hydroperoxy anion ho2-  
304 HS2 Thiosulfeno radical hs2  
305 HOCH hydroxycarbene hoch  
306 H2O2+ Hydrogen peroxide cation h2o2+  
307 CH3O Methoxy radical ch3o  
308 CH3S thiomethoxy ch3s  
309 NH3O Ammonia Oxide nh3o  
310 H3O2+ hydrogen peroxide, protonated h3o2+  
311 CH3SeH Methane selenol ch3seh  
312 CH3OH2+ Methanol, protonated ch3oh2+  
313 H2ONH3 Water Ammonia Dimer h2onh3  
314 LiCl- lithium chloride anion licl-  
315 LiCl+ lithium chloride cation licl+  
316 NaF- sodium fluoride anion naf-  
317 KF Potassium Fluoride kf  
318 NaCl- sodium chloride anion nacl-  
319 NaCl+ sodium chloride cation nacl+  
320 KCl Potassium Chloride kcl  
321 CuF Copper monofluoride cuf  
322 LiBr- lithium bromide anion libr-  
323 LiBr+ lithium bromide cation libr+  
324 CuCl Copper monochloride cucl  
325 NaBr Sodium Bromide nabr  
326 NaBr- sodium bromide anion nabr-  
327 NaBr+ sodium bromide cation nabr+  
328 KBr Potassium Bromide kbr  
329 LiI Lithium Iodide lii  
330 NaI Sodium Iodide nai  
331 KI Potassium Iodide ki  
332 LiF- lithium fluoride anion lif-  
333 BeF Beryllium monofluoride bef  
334 BeF- Beryllium monofluoride anion bef-  
335 BeF+ Beryllium monofluoride cation bef+  
336 BeCl beryllium monochloride becl  
337 MgF Magnesium monofluoride mgf  
338 MgF- magnesium fluoride anion mgf-  
339 CaF Calcium monofluoride caf  
340 MgCl magnesium monochloride mgcl  
341 MgCl- magnesium monochloride anion mgcl-  
342 MgCl+ magnesium monochloride cation mgcl+  
343 CaCl calcium monochloride cacl  
344 ZnF- Zinc monofluoride anion znf-  
345 ZnF+ Zinc monofluoride cation znf+  
346 ZnCl Zinc monochloride zncl  
347 CaBr Calcium monobromide cabr  
348 BeCl- beryllium monochloride anion becl-  
349 BeCl+ beryllium monochloride cation becl+  
350 BF- Boron monofluoride anion bf-  
351 BF+ Boron monofluoride cation bf+  
352 AlF- Aluminum monofluoride anion alf-  
353 AlF+ Aluminum monofluoride cation alf+  
354 BCl boron monochloride bcl  
355 BCl- boron monochloride anion bcl-  
356 BCl+ boron monochloride cation bcl+  
357 AlCl- aluminum monochloride anion alcl-  
358 AlCl+ aluminum monochloride cation alcl+  
359 BBr Boron monobromide bbr  
360 AlI Aluminum monoiodide ali  
361 CF- carbon monofluoride anion cf-  
362 CF+ carbon monofluoride cation cf+  
363 CCl carbon monochloride ccl  
364 CCl- carbon monochloride anion ccl-  
365 CCl+ carbon monochloride cation ccl+  
366 SiF- silicon monofluoride anion sif-  
367 SiCl- silicon monochloride anion sicl-  
368 SiCl+ silicon monochloride cation sicl+  
369 NF nitrogen fluoride nf  
370 NF- nitrogen monofluorine anion nf-  
371 NF+ nitrogen monofluoirde cation nf+  
372 NCl- nitrogen monochloride anion ncl-  
373 NCl+ nitrogen monochloride cation ncl+  
374 PF phosphorus monofluoride pf  
375 PF- phosphorus monofluoride anion pf-  
376 PF+ phosphorus monofluoride cation pf+  
377 PCl phosphorus chloride pcl  
378 PCl- phosphorus monochloride anion pcl-  
379 PCl+ phosphorus monochloride cation pcl+  
380 NBr nitrogen monobromide nbr  
381 SbF Antimony monofluoride sbf  
382 SbCl Antimony monochloride sbcl  
383 FO- flourine oxide anion fo-  
384 FO+ fluorine monoxide cation fo+  
385 ClO- chlorine monoxide anion clo-  
386 SF- sulfur monofluoride anion sf-  
387 SCl- sulfur monochloride anion scl-  
388 BrO- Bromine monoxide anion bro-  
389 IO Iodine monoxide io  
390 ClF- clorine monofluoride anion clf-  
391 BrF- bromine fluoride anion brf-  
392 BrF+ bromine fluoride cation brf+  
393 BrCl- bromine chloride anion brcl-  
394 BrCl+ bromine chloride cation brcl+  
395 IF Iodine monofluoride if  
396 ICl Iodine monochloride icl  
397 IBr Iodine monobromide ibr  
398 I2 Iodine diatomic i2  
399 I2+ Iodine diatomic cation i2+  
400 HCCl Chloromethylene hccl  
401 CHBr bromomethylene chbr  
402 DOCl Hypochlorous acid-d docl  
403 HOBr+ Hypobromous acid cation hobr+  
404 HOI Hypoiodous acid hoi  
405 FHF Hydrogen difluoride fhf  
406 FHF- Hydrogen difluoride anion fhf-  
407 NH2F monofluoroamine nh2f  
408 H2F2 Hydrogen fluoride dimer h2f2  
409 CD3F methylfluoride-d3 cd3f  
410 CD3Cl methyl chloride d3 cd3cl  
411 CH3I methyl iodide ch3i  
412 SiH3I Silyl Iodide sih3i  
413 Ne2 Neon diatomic ne2  
414 C3+ carbon trimer cation c3+  
415 C3H3 Propargyl radical propargyl  
416 C3H3- Propargyl anion c3h3-  
417 C3H3+ cyclopropenyl cation cpr+  
418 C3H3+ Propargyl cation c3h3+  
419 C3H5+ Allyl cation allyl+  
420 CH3CHCH 1-propenyl radical ch3chch  
421 Zn(CH3)2 dimethyl zinc dmz  
422 SiH2(CH3)2 dimethylsilane dms  
423 KCN Potassium cyanide kcn  
424 CuCN Copper cyanide cucn  
425 N3- azide anion n3-  
426 HCNN diazomethyl radical hcnn  
427 CH2N2 diazirine ch2n2  
428 CH2NN diazomethane ch2nn  
429 CH3CN+ Acetonitrile cation ch3cn+  
430 CH3NC methyl isocyanide ch3nc  
431 CH3CHN methylmethaniminyl radical ch3chn  
432 NHCHNH2 aminomethanimine cn2h4  
433 C2H5N Aziridine c2h5n  
434 CH2CHNH2 aminoethene aminoethene  
435 CH2NCH3 N-methylmethanimine nmm  
436 NH2BHNH2 diaminoborane nh2bhnh2  
437 NH2CH2NH2 diaminomethane nh2ch2nh2  
438 CH3NHCH3 Dimethylamine ch3nhch3  
439 NH2CH2NH3+ diaminoethane, protonated pdam  
440 Li2O+ dilithium oxide cation li2o+  
441 CNO- fulminate cno-  
442 NCO- cyanate nco-  
443 SCN thiocyanato radical scn  
444 SCN- thiocyanide anion scn-  
445 BO2 Boron dioxide bo2  
446 BO2- Boron dioxide anion bo2-  
447 BO2+ Boron dioxide cation bo2+  
448 N2O+ Nitrous oxide cation n2o+  
449 NNS Nitrogen sulfide nns  
450 PPO Phosphorus oxide phosphide ppo  
451 CO2- Carbon dioxide anion co2-  
452 CO2+ Carbon dioxide cation co2+  
453 OCS+ Carbonyl sulfide cation cos+  
454 SiO2 silicon dioxide sio2  
455 CS2- Carbon disulfide anion cs2-  
456 CS2+ Carbon disulfide cation cs2+  
457 GeS2 Germanium disulfide ges2  
458 SCTe Carbon sulfide Telluride scte  
459 NO2- Nitrogen dioxide anion no2-  
460 PO2 Phosphorus dioxide po2  
461 PO2- Phosphorus dioxide anion po2-  
462 PO2+ Phosphorus dioxide cation po2+  
463 AsO2 Aresenic dioxide aso2  
464 O3- Ozone anion o3-  
465 O3+ Ozone cation o3+  
466 SO2- Sulfur dioxide anion so2-  
467 SO2+ Sulfur dioxide cation so2+  
468 S3- Sulfur trimer anion s3-  
469 TeO2 Tellurium Dioxide teo2  
470 CS2H+ Carbon disulfide, protonated cs2h+  
471 HNCO Isocyanic acid hnco  
472 HOCN cyanic acid hocn  
473 HCO2- formate anion hco2-  
474 HNNO nitrosoazane hnno  
475 HCOO formate neutral radical hcoo  
476 HOCO+ Hydrocarboxyl cation hoco+  
477 HNO2 Nitrous acid hno2  
478 HNO2+ nitrous acid cation hno2+  
479 CH2CO+ Ketene cation ch2co+  
480 HCCOH ethynol hccoh  
481 Mg(OH)2 Magnesium dihydroxide h2mgo2  
482 CH2O2 Dioxirane diox  
483 H2O3 Hydrogen trioxide h2o3  
484 NaOCH3 Sodium methoxide naoch3  
485 CH2CHO Vinyloxy radical ch2cho  
486 CH3CO Acetyl radical ch3co  
487 CH3CO- Acetyl anion ch3co-  
488 CH3CO+ acetyl cation ch3co+  
489 CHONH2 formamide formamide  
490 CH2OOH CH2OOH radical ch2ooh  
491 CH3OO methylperoxy radical ch3oo  
492 CH3OO- methylperoxy anion ch3oo-  
493 CH3OO+ methylperoxy cation ch3oo+  
494 CH2CHOH ethenol ch2choh  
495 H2CONH2+ protonated formamide h2conh2+  
496 NH3CHO+ Formamide, N-Protonated nh3cho+  
497 CH2(OH)2 methanediol ch2o2h2  
498 CH3OOH Methyl peroxide ch3ooh  
499 H2OH2CO water formaldehyde dimer h2oh2co  
500 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
501 CH3CH2O Ethoxy radical ethoxy  
502 CH3OCH2 methoxymethyl radical ch3och2  
503 CH3OHH2O methanol water dimer ch3ohh2o  
504 H2OCH3OH water methanol dimer h2och3oh  
505 ZnF2 Zinc difluoride znf2  
506 FCN Cyanogen fluoride fcn  
507 ClCN chlorocyanogen clcn  
508 ICN Cyanogen iodide icn  
509 BeF2 Beryllium fluoride bef2  
510 MgF2 Magnesium fluoride mgf2  
511 BeCl2 Beryllium chloride becl2  
512 MgCl2 Magnesium dichloride mgcl2  
513 CaCl2 Calcium Chloride cacl2  
514 ZnCl2 Zinc dichloride zncl2  
515 CaBr2 Calcium dibromide cabr2  
516 CaF2 Calcium difluoride caf2  
517 BrNO Nitrosyl bromide brno  
518 INO Nitrosyl iodide ino  
519 CF2- Difluoromethylene anion cf2-  
520 CF2+ Difluoromethylene cation cf2+  
521 CCl2 dichloromethylene ccl2  
522 CCl2- dichloromethylene anion ccl2-  
523 CCl2+ dichloromethylene cation ccl2+  
524 SiCl2 Dichlorosilylene sicl2  
525 GeF2 Germanium difluoride gef2  
526 FOO Dioxygen monofluoride radical foo  
527 ClOO chloroperoxy radical cloo  
528 ClOO+ chloroperoxy cation cloo+  
529 OClO+ Chlorine dioxide cation oclo+  
530 ClS2 Sulfur chloride cls2  
531 NF2 Difluoroamino radical nf2  
532 NF2+ Difluoroamino cation nf2+  
533 F2O Difluorine monoxide f2o  
534 SF2- sulfur difluoride anion sf2-  
535 SF2+ sulfur difluoride cation sf2+  
536 Cl2O Dichlorine monoxide cl2o  
537 BrOCl Bromine hypochlorite brocl  
538 BrOBr Bromine oxide brobr  
539 F3- trifluoride anion f3-  
540 Cl3- trichloride anion cl3-  
541 I3- triiodide i3-  
542 HCCF+ fluoroacetylene cation hccf+  
543 HFCO formyl fluoride hfco  
544 COHCl Formyl chloride cohcl  
545 COHBr Formyl bromide cohbr  
546 BHF2 Difluoroborane bhf2  
547 BHCl2 Borane, dichloro- bhcl2  
548 HOClO Chlorous acid hoclo  
549 CH2FCl fluorochloromethane ch2fcl  
550 CH2FI fluoroiodomethane ch2fi  
551 CH2ClI chloroiodomethane ch2cli  
552 CH2BrI bromoiodomethane ch2bri  
553 CH2I2 Diiodomethane ch2i2  
554 CH2CHF+ fluoroethene cation ch2chf+  
555 C2H3Cl Ethene, chloro- ch2chcl  
556 C2H3Br vinyl bromide c2h3br  
557 C2H3I Vinyl iodide c2h3i  
558 CH3OCl methyl hypochlorite ch3ocl  
559 C2H5F fluoroethane c2h5f  
560 CH3CH2Cl Ethyl chloride c2h5cl  
561 CH3SiFH2 fluoromethylsilane ch3sifh2  
562 C2H5I Ethyl iodide c2h5i  
563 KrF2 Krypton difluoride krf2  
564 XeF2 Xenon difluoride xef2  
565 C4+ Carbon tetramer cation c4+  
566 C2H3CCH 1-Buten-3-yne c2h3cch  
567 C4H4 cyclobutadiene cbd  
568 H2CCCCH2 Butatriene h2cccch2  
569 C4H6 Cyclobutene c822355  
570 C4H6 Methylenecyclopropane c6142730  
571 CH2CCHCH3 1,2-Butadiene butad12  
572 CH2CHCHCH2 1,3-Butadiene c106990  
573 CH3CCCH3 2-Butyne c503173  
574 CH3CHCHCH2 methylallyl radical c4h7  
575 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
576 CH3CHCHCH3 2-Butene, (E)- bute2e  
577 CH3CHCHCH3 2-Butene, (Z)- bute2z  
578 B(CH3)3 trimethylborane bme3  
579 Al(CH3)3 trimethyl aluminum tma  
580 C(CH3)3 Tert-butyl radical tbutyl  
581 CH2CH(CH3)2 Isobutyl radical isobutyl  
582 CH3CHCH2CH3 2-Butyl radical butyl2  
583 CH3CH(CH3)CH3 Isobutane isobutane  
584 SiH(CH3)3 trimethylsilane trimsi  
585 C2N2+ Cyanogen cation c2n2+  
586 P4 Phosphorus tetramer p4  
587 HCCCN Cyanoacetylene hcccn  
588 C3H3N acrylonitrile ch2chcn  
589 CH5N3 Guanidine guanidine  
590 CH6N3+ guanidinium ch6n3+  
591 C3H7N Cyclopropylamine cpram  
592 C3H7N Azetidine azet  
593 C2H8N2 Ethylenediamine ethdiam  
594 CH3NHNHCH3 dimethyl hydrazine dmh  
595 CH3CH(NH2)CH3 2-Propanamine pram2  
596 N(CH3)3 Trimethylamine trimeam  
597 As(CH3)3 trimethyl arsine tmas  
598 Li2O2 dilithium dioxide li2o2  
599 K2O2 dipotassium dioxide k2o2  
600 B2O2 Diboron dioxide b2o2  
601 CO3-- carbonate co3--  
602 NO3 Nitrogen trioxide no3  
603 NO3+ nitrogen trioxide cation no3+  
604 SO3- Sulfur trioxide anion so3-  
605 SO3+ Sulfur trioxide cation so3+  
606 SeO3 selenium trioxide seo3  
607 TeO3 Tellurium trioxide teo3  
608 HCO3- bicarbonate anion hco3-  
609 HSO3 Hydroxysulfonyl radical hso3  
610 C2H2CO cyclopropenone c2h2co  
611 HCCCHO 2-propynal hcccho  
612 C2H2O2+ Ethanedial cation c2h2o2+  
613 H2CO3 Carbonic acid h2co3  
614 H2CS3 thiocarbonic acid h2cs3  
615 H2NO3+ Nitric Acid, Protonated h2no3+  
616 CH3COO- acetate anion ch3coo-  
617 CH3ONO Methyl nitrite ch3ono  
618 H3BO3 Boric acid h3bo3  
619 H3CO3+ carbonic acid, protonated h3co3+  
620 C3H4O 2-Propyn-1-ol c107197  
621 C3H4O allenol c9000071  
622 C3H4O Cyclopropanone cpone  
623 C3H4O Methylketene c6004440  
624 NH2CONH2+ Urea cation urea+  
625 NH2CSNH2 Thiourea thiourea  
626 C2H4O2 1,3-dioxetane c2h4o2  
627 CH3COOH Acetic acid ch3cooh  
628 CH3OCHO methyl formate ch3ocho  
629 CHOCH2OH hydroxy acetaldehyde haa  
630 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
631 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
632 HCOOHH2O Formic acid water dimer hcoohh2o  
633 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
634 CH3CONH2 Acetamide acetamide  
635 C2H5OO ethylperoxy radical c2h5oo  
636 C3H6O Propylene oxide prox  
637 CH3COCH3- acetone anion ch3coch3-  
638 C3H6S Thietane thietane  
639 C3H6S Thiirane, methyl- methiirane  
640 CH3CSCH3 Thioacetone ch3csch3  
641 C2H6O2 1,2-Ethanediol ethdiol  
642 CH3OOCH3 dimethylperoxide dmp  
643 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
644 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
645 CH3COHCH3+ acetone, protonated acetoneh+  
646 CH3CHOHCH3 Isopropyl alcohol isoproh  
647 C3H7SH 1-Propanethiol prsh  
648 CH3CHSHCH3 2-Propanethiol isoprsh  
649 CH3SCH2CH3 Ethane, (methylthio)- etsme  
650 H2OCH3OCH3 water dimethylether dimer h2och3och3  
651 Na2F2 Sodium Fluoride Dimer na2f2  
652 Na2Cl2 Disodium dichloride na2cl2  
653 C2F2 difluoroacetylene c2f2  
654 C2Cl2 dichloroacetylene c2cl2  
655 C2Cl2+ dichloroacetylene cation c2cl2+  
656 ClNO2 Nitryl chloride clno2  
657 BrONO Bromine nitrite brono  
658 N2F2 (Z)-Difluorodiazene n2f2_z  
659 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
660 COFCl Carbonic chloride fluoride cofcl  
661 CCl2O Phosgene cl2co  
662 Cl2CS Thiophosgene cl2cs  
663 COBr2 Carbonic dibromide cobr2  
664 BF3 Borane, trifluoro- bf3  
665 BF3- Borane, trifluoro- anion bf3-  
666 AlF3 Aluminum trifluoride alf3  
667 AlF2Cl Aluminum chloride difluoride alclf2  
668 AlFCl2 Aluminum dichloride fluoride alcl2f  
669 AlCl3 Aluminum trichloride alcl3  
670 BBr3 Boron tribromide bbr3  
671 AlBr3 Aluminum Bromide albr3  
672 ClO3 Chlorine trioxide clo3  
673 ClO3- chlorate anion clo3-  
674 BrO3- Bromate anion bro3-  
675 CF3 Trifluoromethyl radical cf3  
676 CCl3 Trichloromethyl radical ccl3  
677 CCl3- Trichloromethyl anion ccl3-  
678 CCl3+ Trichloromethyl cation ccl3+  
679 SiCl3 trichlorosilyl radical sicl3  
680 SiCl3+ trichlorosilyl cation sicl3+  
681 FOOF Perfluoroperoxide foof  
682 F2SO Thionyl Fluoride f2so  
683 FSSF Difluorodisulfane fssf  
684 S2F2 Thio-thionyl fluoride s2f2  
685 SOCl2 thionyl chloride socl2  
686 SeOCl2 selenium oxychloride seocl2  
687 NF3- Nitrogen trifluoride anion nf3-  
688 NF3+ Nitrogen trifluoride cation nf3+  
689 PF3 Phosphorus trifluoride pf3  
690 AsF3 Arsenic trifluoride asf3  
691 PCl3 Phosphorus trichloride pcl3  
692 SbF3 Antimony Trifluoride sbf3  
693 SbCl3 Antimony Trichloride sbcl3  
694 PBr3 Phosphorus tribromide pbr3  
695 AsBr3 Arsenic tribromide asbr3  
696 NI3 Nitrogen triiodide ni3  
697 PI3 Phosphorus triiodide pi3  
698 ClSSCl Disulfur dichloride s2cl2  
699 SF3 Sulfur trifluoride sf3  
700 BrF3 Bromine trifluoride brf3  
701 IF3 iodone trifluoride if3  
702 CHF2Cl difluorochloromethane chf2cl  
703 CHFCl2 fluorodichloromethane chfcl2  
704 CDCl3 trichloromethane-d cdcl3  
705 SiHCl3 Trichlorosilane sihcl3  
706 CHF2I difluoroiodomethane chf2i  
707 CHFClI fluorochloroiodomethane chfcli  
708 CHCl2I dichloroiodomethane chcl2i  
709 CHClBr2 Methane, dibromochloro- chclbr2  
710 CHBr3 bromoform chbr3  
711 CHI3 Iodoform chi3  
712 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
713 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
714 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
715 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
716 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
717 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
718 C2H2Br2 1,1-dibromoethene c2h2br2  
719 CH2FCHO Fluoroacetaldehyde ch2fcho  
720 CH3COF Acetyl fluoride ch3cof  
721 CH2ClCHO chloroacetaldehyde ch2clcho  
722 CH3COCl Acetyl Chloride ch3cocl  
723 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
724 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
725 CH2CFCH3 2-fluoropropene 2fpro  
726 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
727 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
728 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
729 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
730 CH3CH2CH2Br n-propyl bromide prbr  
731 CH3CHBrCH3 i-propyl bromide iprbr  
732 C3H9O+ trimethyl oxonium cation c3h9o+  
733 C5H5 cyclopentadienyl radical c5h5  
734 C5H5- cylopentadienyl anion c5h5-  
735 C5H6 1,3-Cyclopentadiene c542927  
736 C5H6 1-Buten-3-yne, 2-methyl- c78808  
737 C5H6 3-Penten-1-yne, (E)- c2004695  
738 C5H6 3-Penten-1-yne, (Z)- c1574409  
739 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
740 C5H6 Cyclopropylacetylene c6746947  
741 C5H7 1,3-pentadienyl radical pdyl  
742 C5H7 cyclopentenyl radical cpyl  
743 C5H8 1,2-Butadiene, 3-methyl- c598254  
744 C5H8 1,2-Pentadiene c591957  
745 C5H8 1,3-Butadiene, 2-methyl- c78795  
746 C5H8 1,3-Pentadiene, (E)- c2004708  
747 C5H8 1,3-Pentadiene, (Z)- c1574410  
748 C5H8 1,4-Pentadiene c591935  
749 C5H8 1-pentyne a1pentyne  
750 C5H8 2,3-Pentadiene c591968  
751 C5H8 Cyclobutane, methylene- c1120565  
752 C5H8 Cyclopentene c142290  
753 CH3CCCH2CH3 2-Pentyne 2pentyne  
754 C5H10 1-Butene, 2-methyl- c563462  
755 C5H10 2-Butene, 2-methyl- c513359  
756 C5H10 2-Pentene, (E)- c646048  
757 C5H10 2-Pentene, (Z)- c627203  
758 C5H10 Cyclopentane c287923  
759 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
760 CH2CHCH2CH2CH3 1-pentene pentene  
761 C5H11 2-Methylbut-2-yl radical c4348350  
762 C5H12 Butane, 2-methyl- buta2  
763 C5H12 Pentane pentane  
764 C5H12 Propane, 2,2-dimethyl- neopentane  
765 Si(CH3)4 tetramethylsilane tms  
766 N2O3 Dinitrogen trioxide n2o3  
767 C3H2N2 Malononitrile c3h2n2  
768 C2H3N3 1H-1,2,4-Triazole c288880  
769 C3H4N2 1H-Pyrazole 1hpyraz  
770 C4H5N (E)-2-Butenenitrile c627269  
771 C4H5N (Z)-2-Butenenitrile c1190767  
772 C4H5N 2H-pyrrole pyrrole2  
773 C4H5N 3H-pyrrole pyrrole3  
774 C4H5N Cyclopropanecarbonitrile c5500210  
775 CH2CHCH2CN Allylcyanide ch2chch2cn  
776 C3H6N2 3-Aminopropionitrile c151188  
777 C5H8 Bicyclo[2.1.0]pentane c185944  
778 C5H8 Spiropentane c157404  
779 C4H9N Cyclobutylamine cbam  
780 C4H9N Pyrrolidine pyrrolidine  
781 C3H10N2 1,2-Diaminopropane diampr12  
782 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
783 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
784 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
785 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
786 NC4H12+ tetramethyl ammonium cation nc4h12+  
787 C3O2+ Carbon suboxide cation c3o2+  
788 CaCO3 Calcium Carbonate caco3  
789 PO4--- phosphate po4---  
790 SO4-- sulfate so4--  
791 HOONO2 peroxy nitric acid hoono2  
792 HSO4- bisulfate anion hso4-  
793 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
794 C3H2O2 Propiolic acid c3h2o2  
795 CHOCOOH oxo acetic acid oaa  
796 H2SO4 Sulfuric acid h2so4  
797 H2SeO4 Selenic acid h2seo4  
798 CH3C(O)OO acetyl peroxy radical ch3coo2  
799 CH3NO3 Methyl nitrate ch3no3  
800 H3PO4 Phosphoric Acid h3po4  
801 C4H4O+ Furan cation furan+  
802 C4H4S Thiophene furans  
803 C3H4O2 β–Propiolactone beta  
804 C3H4O2 2-Propenoic acid propenoic2  
805 C3H4O2 Methyl glyoxal megly  
806 C3H4O2 propanedial propanedial  
807 C3H4O2 propenalol propenalol  
808 HOCHCCHOH allenediol aldiol  
809 C2H4O3 1,2,3-trioxolane c2h4o3  
810 C2H4O3 trioxolane124 triox  
811 HOCH2COOH Hydroxyacetic acid hac  
812 CH2CHCONH2 Acrylamide c79061  
813 CH5N3S Hydrazinecarbothioamide c79196  
814 H2NCH2COOH Glycine glycine  
815 C4H6O cis-2-butenal butenal2c  
816 C4H6O Cyclobutanone cbutone  
817 C4H6O Furan, 2,3-dihydro- furan23h  
818 C4H6O Furan, 2,5-dihydro- furan25h  
819 CH2CHOCHCH2 Vinyl ether vinylether  
820 CHOCHCHCH3 2-Butenal butenal2  
821 C4H6S Thiophene, 2,3-dihydro- thiop23h  
822 C4H6S Thiophene, 2,5-dihydro- thiop25h  
823 C2H6N2O Urea, methyl- c598505  
824 C3H6O2 1,3-Dioxolane dioxolane  
825 CH3CH2COOH Propanoic Acid propanoic  
826 CH3COOCH3 methyl acetate aame  
827 CH3SSSCH3 dimethyl trisulfide c2h6s3  
828 C3H7NO dimethylformamide dmf  
829 C3H7NO Propanamide propanam  
830 C2H3OC2H5 Ethene, ethoxy- c109922  
831 C4H8O Cyclobutanol c2919235  
832 C4H8O Furan, tetrahydro- thf  
833 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
834 CH3COCH2CH3 2-Butanone buta2one  
835 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
836 CHOCH2CH2CH3 Butanal butanal  
837 C3H8O2 1,3-Propanediol c504632  
838 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
839 C3H8O2 Methane, dimethoxy- c109875  
840 C3H8O2 Propylene glycol c57556  
841 C3H8S2 1,3-Propanedithiol c109808  
842 C4H10O 1-Butanol butanol1  
843 C4H10O 1-Propanol, 2-methyl- c78831  
844 C4H10O 2-Butanol, (.+/-.)- butanol2  
845 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
846 C4H10O Propane, 2-methoxy- c598538  
847 C4H10O+ 1-Butanol cation butanol1+  
848 C2H5SC2H5 Diethyl sulfide etset  
849 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
850 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
851 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
852 FNO3 Fluorine nitrate fno3  
853 ClONO2 Chlorine nitrate clono2  
854 TiCl4 Titanium tetrachloride ticl4  
855 ClO4- perchlorate anion clo4-  
856 BF4- tetrafluoroboron anion bf4-  
857 ClFO3 Perchloryl fluoride clfo3  
858 SO2F2 Sulfuryl fluoride so2f2  
859 SO2Cl2 Sulfuryl chloride so2cl2  
860 F3NO Nitrogen trifluoride oxide f3no  
861 F3PO Phosphoryl fluoride pf3o  
862 Cl3PO Phosphoryl chloride pcl3o  
863 CF4 Carbon tetrafluoride cf4  
864 SiF4 Silicon tetrafluoride sif4  
865 CFCl3 Trichloromonofluoromethane cfcl3  
866 CCl4+ Carbon tetrachloride cation ccl4+  
867 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
868 SiCl4 Silane, tetrachloro- sicl4  
869 CF3I trifluoroiodomethane cf3i  
870 CBrCl3 Methane, bromotrichloro- cbrcl3  
871 CBr2F2 Methane, dibromodifluoro- cbr2f2  
872 GeCl4 Germanium Tetrachloride gecl4  
873 CCl3I trichloroiodomethane ccl3i  
874 CFClBrI fluorochlorobromoiodomethane cfclbri  
875 CF2I2 difluorodiiodomethane cf2i2  
876 CBr4 Carbon tetrabromide cbr4  
877 CCl2I2 dichlorodiiodomethane ccl2i2  
878 CBr3I tribromoiododmethane cbr3i  
879 CI4 tetraiodomethane ci4  
880 SiI4 silicon tetraiodide sii4  
881 C2HF3 Trifluoroethylene c2hf3  
882 C2HF3+ Trifluoroethylene cation c2hf3+  
883 CHClCCl2 Trichloroethylene chclccl2  
884 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
885 HClO4 perchloric acid hclo4  
886 HSO3F Fluorosulfonic acid hso3f  
887 CF3OH trifluoromethanol cf3oh  
888 CHClCCHCl 1,3-dichloroallene chclcchcl  
889 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
890 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
891 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
892 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
893 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
894 SiCl3CH3 methyltrichlorosilane sicl3ch3  
895 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
896 NH3BCl3 Amminetrichloroboron nh3bcl3  
897 C3H5ClO Oxirane, (chloromethyl)- c106898  
898 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
899 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
900 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
901 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
902 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
903 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
904 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
905 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
906 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
907 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
908 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
909 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
910 C4H9F 1-fluorobutane butaf1  
911 CH3CHFCH2CH3 2-fluorobutane butaf2  
912 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
913 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
914 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
915 XeF4 Xenon tetrafluoride xef4  
916 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
917 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
918 C6H4 Benzyne benzyne  
919 C6H5 phenyl phenyl  
920 C6H5- phenyl anion phenyl-  
921 C6H6 2,4-Hexadiyne hexadiyne  
922 C6H6 3,4-Dimethylenecyclobutene cb34m  
923 C6H6+ Benzene cation c6h6+  
924 C6H8 (E)-hexa-1,3,5-triene c821078  
925 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
926 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
927 C6H8 1,3-Cyclohexadiene cyhexadiene13  
928 C6H8 1,4-Cyclohexadiene cyhexadiene14  
929 C6H8 3-Methylenecyclopentene c930267  
930 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
931 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
932 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
933 C6H10 1,3-Hexadiene, (E)- hexdi13e  
934 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
935 C6H10 1,4-Hexadiene, (E)- hexdi14t  
936 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
937 C6H10 1-Butyne, 3,3-dimethyl- c917920  
938 C6H10 1-Hexyne hexyne1  
939 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
940 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
941 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
942 C6H10 2-Hexyne c764352  
943 C6H10 cyclohexene cyclohexene  
944 C6H10 Cyclopentene, 1-methyl- c693890  
945 C6H10 Cyclopentene, 3-methyl- c1120623  
946 C6H10 Cyclopentene, 4-methyl- c1759815  
947 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
948 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
949 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
950 C6H12 (E)-2-Hexene e2hexene  
951 C6H12 (E)-3-methylpent-2-ene c616126  
952 C6H12 (E)-hex-3-ene e3hexene  
953 C6H12 (Z)-3-methylpent-2-ene c922623  
954 C6H12 (Z)-hex-2-ene z2hexene  
955 C6H12 (Z)-hex-3-ene z3hexene  
956 C6H12 2,3-dimethyl-but-2-ene tmeet  
957 C6H12 3-methylenepentane c760214  
958 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
959 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
960 C6H12 Cyclohexane cyclohexane  
961 C6H12 Cyclopentane, methyl- c96377  
962 C6H12 Ethylcyclobutane c4806615  
963 C6H14 Butane, 2,2-dimethyl- buta22  
964 C6H14 Butane, 2,3-dimethyl- buta23  
965 C6H14 Hexane hexane  
966 C6H14 Pentane, 2-methyl- penta2  
967 C6H14 Pentane, 3-methyl- penta3  
968 C4N2 2-Butynedinitrile c4n2  
969 C2H2N4 sym-tetrazine ttz  
970 C3H3N3 1,3,5-Triazine triazine135  
971 CH3N5 5-Aminotetrazole c4418615  
972 C4H4N2 1,3-Diazine diazine13  
973 C4H4N2 Pyrazine pyrazine  
974 C4H4N2 Pyridazine pyridazine  
975 C4H4N2 Succinonitrile c110612  
976 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
977 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
978 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
979 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
980 C5H5N E-2,4-pentadienenitrile bdcn  
981 C5H5N Pyridine pyridine  
982 B3N3H6 borazine borazine  
983 C6H6 Fulvene fulvene  
984 C4H6N2 1H-Imidazole, 2-methyl- c693981  
985 C5H7N (E)-2-Pentenenitrile c26294984  
986 C5H7N (E)-3-Pentenenitrile c16529661  
987 C5H7N (Z)-2-Pentenenitrile c25899507  
988 C5H7N 1H-Pyrrole, 1-methyl- c96548  
989 C5H7N Cyclobutanecarbonitrile c4426113  
990 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
991 C5H9N Butanenitrile, 2-methyl- c18936179  
992 C5H9N Pentanenitrile c110598  
993 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
994 C6H10 Bicyclo[3.1.0]hexane c285585  
995 C5H11N Cyclopentanamine cypentam  
996 C5H11N Piperidine piper  
997 C4H12N2 1,2-Butanediamine c4426486  
998 C4H12N2 2-Methyl-1,2-propanediamine c811938  
999 Li2CO3 Lithium Carbonate li2co3  
1000 Na2CO3 Sodium Carbonate na2co3  
1001 C2O4-- oxalate anion c2o4  
1002 C2H3NO3 Oxamic acid oxamic  
1003 C4H4O2 2(5H)-Furanone furanone  
1004 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1005 C2H4N2O2 Oxalamide oxalamide  
1006 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1007 C3H4S3 1,3-Dithiolane-2-thione c822388  
1008 C4H5NO 3-Methylisoxazole isox3m  
1009 C4H5NO Isoxazole, 5-methyl- c5765446  
1010 C4H5NS 4-Methylthiazole c693958  
1011 C2H5NO3 Nitric acid, ethyl ester c625581  
1012 C5H6O 2-methylfuran furan2m  
1013 C5H6O 3-Methylfuran furan3m  
1014 C5H6S Thiophene, 2-methyl- c554143  
1015 C5H6S Thiophene, 3-methyl- c616444  
1016 C4H6O2 2,3-Butanedione c431038  
1017 C4H6O2 2-Propenoic acid, methyl ester c96333  
1018 C4H6O2 Crotonic Acid crot  
1019 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1020 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1021 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1022 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1023 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1024 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1025 C4H6OS Vinyl sulfoxide c1115157  
1026 CH6N4S Carbonothioic dihydrazide thiacarb  
1027 C2H6N2O2 (E)-Azodioxymethane c37765154  
1028 C2H6N2O2 Dimethylnitroamine c4164287  
1029 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1030 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1031 C4H7NO 2-Pyrrolidinone c616455  
1032 C4H7NO Ethoxyacetonitrile etoaccn  
1033 C4H7NO Methacrylamide c79390  
1034 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1035 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1036 C3H7ONO Propyl nitrite prono  
1037 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1038 CH3CH(NH2)COOH Alanine alanine  
1039 CH3NHCH2COOH Sarcosine sarcosine  
1040 NH2CH2CH2COOH β–alanine betaalanine  
1041 NH2COOC2H5 Urethane urethane  
1042 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1043 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1044 C5H8O Methyl cyclopropyl ketone c765435  
1045 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1046 NH2CONHC2H5 Urea, ethyl- c625525  
1047 C4H8O2 1,3-Dioxane dioxan13  
1048 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1049 C4H8O2 1,4-Dioxane dioxan14  
1050 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1051 C4H8OS s-Ethyl thioacetate c625605  
1052 C3H8O3 1,2,3-Propanetriol glycerin  
1053 C3H8O2S (Methylsulfonyl)ethane c594434  
1054 C4H9NO Butanamide c541355  
1055 C4H9NO Propanamide, 2-methyl- c563837  
1056 C5H10O 2-Butanone, 3-methyl- c563804  
1057 C5H10O 2H-Pyran, tetrahydro- c142687  
1058 C5H10O 2-Pentanone mpk  
1059 C5H10O Cyclopentanol c96413  
1060 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1061 C5H10O Pentanal pal  
1062 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1063 C5H10S 3-Ethylthio-1-propene c5296628  
1064 C5H10S Cyclopentanethiol c1679078  
1065 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1066 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1067 C4H10O2 1,1-Dimethoxyethane c534156  
1068 C4H10O2 1,3-Butanediol budiol13  
1069 C4H10O2 1,4-Butanediol budiol14  
1070 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1071 C4H10OS Diethyl sulfoxide c70291  
1072 C4H10S2 1,4-Butanedithiol budisl14  
1073 C4H11NO Diethylhydroxylamine c3710847  
1074 C5H12O 1-Butanol, 2-methyl- c137326  
1075 C5H12O 1-Butanol, 3-methyl- c123513  
1076 C5H12O 1-Pentanol pentanol1  
1077 C5H12O 2-Butanol, 3-methyl- c598754  
1078 C5H12O 2-Pentanol peol2  
1079 C5H12O 3-Pentanol pentan3ol  
1080 C5H12O Butane, 1-methoxy- meobu  
1081 C5H12O Propane, 1-ethoxy- proet  
1082 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1083 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1084 C5H12S 1-Butanethiol, 3-methyl- c541311  
1085 C5H12S 1-Pentanethiol c110667  
1086 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1087 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1088 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1089 C5H12S Butane, 1-(methylthio)- c628295  
1090 C5H12S Ethyl propyl sulfide c4110503  
1091 C5H12S Propane, 2-(ethylthio)- c5145993  
1092 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1093 CF3CN Acetonitrile, trifluoro- cf3cn  
1094 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1095 B2F4 Diboron tetrafluoride b2f4  
1096 B2Cl4 Diboron tetrachloride b2cl4  
1097 C2F4 Tetrafluoroethylene c2f4  
1098 C2F4+ Tetrafluoroethylene cation c2f4+  
1099 C2FCl3 fluorotrichloroethene c2fcl3  
1100 C2Cl4 Tetrachloroethylene c2cl4  
1101 AsF5 Arsenic pentafluoride asf5  
1102 PCl5 Phosphorus pentachloride pcl5  
1103 SF5 Sulfur pentafluoride sf5  
1104 SbCl5 Antimony pentachloride sbcl5  
1105 BrF5 bromine pentafluoride brf5  
1106 ClF5 chlorinepentafluoride clf5  
1107 IF5 pentafluoroiodine if5  
1108 CF3CHO trifluoroacetaldehyde cf3cho  
1109 CCl3CHO trichloroacetaldehyde ccl3cho  
1110 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1111 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1112 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1113 CF3COOH trifluoroacetic acid cf3cooh  
1114 C4H3ClO Furan, 2-chloro fur2cl  
1115 C4H3ClO Furan,3-chloro fur3cl  
1116 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1117 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1118 C4H8Cl2 1,4-Dichlorobutane c110565  
1119 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1120 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1121 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1122 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1123 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1124 C5H11Cl Pentane, 1-chloro- pencl1  
1125 C6H5CH2 benzyl radical benzyl  
1126 C6H5CH3 toluene toluene  
1127 C7H8 cycloheptatriene cht  
1128 C7H8 Norbornadiene norbor  
1129 C7H8 Quadricyclane qucy  
1130 C7H12 Norbornane nor  
1131 C7H14 cycloheptane c7h14  
1132 C7H16 2-methylhexane 2mhex  
1133 C7H16 3-methylhexane hex3m  
1134 C7H16 heptane heptane  
1135 C6H7N 2-Methylpyridine mp  
1136 C6H5NH2 aniline aniline  
1137 C6H13N 2-Methylpiperidine pip2m  
1138 C6H13N cyclohexanamine cham  
1139 C6H15N triethylamine tea  
1140 N2O5 Dinitrogen pentoxide n2o5  
1141 C4H2O3 Maleic Anhydride malan  
1142 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1143 C6H5O phenoxy radical phenoxy  
1144 C5H5NO 2(1H)-Pyridinone c72762006  
1145 C5H5NO 2(3H)-Pyridinone c9000048  
1146 C5H5NO 2(5H)-Pyridinone c9000037  
1147 C5H5NO 2-Pyridinol c109104  
1148 C5H5NO 3(2H)-Pyridinone c9000004  
1149 C5H5NO 3(4H)-Pyridinone c9000026  
1150 C5H5NO 3(6H)-Pyridinone c9000015  
1151 C5H5NO 3-Pyridinol c109002  
1152 C5H5NO 4(1H)-Pryidinone c9000060  
1153 C5H5NO 4(3H)-Pryidinone c9000059  
1154 C5H5NO 4-Pyridinol c626642  
1155 C6H5OH phenol phenol  
1156 C6H6O 2,4-Cyclohexadienone c24599573  
1157 C6H5SH Benzenethiol phsh  
1158 HO2CCHNH2CH2OH Serine serine  
1159 C4H8O2S Sulfolane sulfolane  
1160 CH(C2H3)3 trivinyl methane tvm  
1161 C6H10O cyclohexanone chexo  
1162 C6H12O hexanal c6h12o  
1163 C3H7OC3H7 di-n-propyl ether propr  
1164 CF3COF trifluoroacetyl fluoride cf3cof  
1165 CF3COCl trifluoroacetyl chloride cf3cocl  
1166 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1167 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1168 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1169 CCl3CHCl2 pentachloroethane ccl3chcl2  
1170 C6H5F Fluorobenzene bzf  
1171 C6H5Cl chlorobenzene bzcl  
1172 C6H5Br bromobenzene bzbr  
1173 C8H6 Calicene calicene  
1174 C6H5CCH phenylacetylene phac  
1175 C8H6 benzocyclobutadiene bcbd  
1176 C8H6 Pentalene pentalene  
1177 C6H5CHCH2 Styrene styrene  
1178 C8H8 cyclooctatetraene cot  
1179 C6H5CH2CH3 Ethylbenzene etbz  
1180 CH3C6H4CH3 meta-xylene mxylene  
1181 CH3C6H4CH3 paraxylene pxylene  
1182 C8H14 Bicyclo[2.2.2]octane bico222  
1183 C8H16 cyclooctane cyclooct  
1184 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1185 C8H18 Octane c8h18  
1186 C6H5CN phenyl cyanide phcn  
1187 C4O4-- squarate dianion c4o4--  
1188 S8 Octasulfur s8  
1189 C6H4O2 parabenzoquinone pbq  
1190 C4H4N2O2 Uracil uracil  
1191 C6H5OCH3 Anisole anisole  
1192 C6H12O2 Methyl pivalate c598981  
1193 C6H12O2 Hexanoic acid hexa  
1194 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1195 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1196 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1197 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1198 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1199 C2F6 hexafluoroethane c2f6  
1200 IF7 Iodine heptafluoride if7  
1201 C6H4F2 metadifluorobenzene mdfb  
1202 C6H4F2 orthodifluorobenzene odfb  
1203 C9H8 Indene indene  
1204 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1205 C9H12 n-propyl benzene prbz  
1206 C9H20 Nonane nonane  
1207 C5H4N4 purine purine  
1208 C8H7N Indole indole  
1209 C6H5NO2 Nitrobenzene c6h5no2  
1210 C6H5COOH benzoic acid benzo  
1211 CH3COC6H5 acetophenone acph  
1212 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1213 C6H3F3 Benzene trifluoride 123 bzf3a  
1214 C8H18O 1-Octanol octanol  
1215 C10H16 adamantane adamantane  
1216 C6N4 Tetracyanoethylene tcne  
1217 C6N4- tetracyanoethylene anion tcne-  
1218 C4F6 perfluorobutadiene c4f6  
1219 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1220 C3F8 perfluoropropane c3f8  
1221 Fe(CO)5 Iron pentacarbonyl ipc  
1222 Fe(C5H5)2 ferrocene fecp2  
1223 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1224 C12H8 Acenaphthylene acenaph  
1225 C12H8 biphenylene biph  
1226 C12H10 biphenyl biphenyl  
1227 C12H10 Heptalene heptalene  
1228 C6H12O6 Inositol inositol  
1229 C6F6 hexafluorobenzene c6f6  
1230 C14H10 Anthracene anth  
1231 C14H10 Phenanthrene phenanthrene  
1232 C12H10N2 azobenzene azobenzene  
1233 C16H10 Pyrene pyrene  
1234 C18H12 Tetracene tetracene  
1235 C24H12 Coronene coronene