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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 He Helium atom 1SKh
3 He Helium atom   
4 He+ Helium atom cation 2SKh
5 HeH+ Helium hydride cation 1ΣC∞v
6 He2+ helium diatomic cation 2ΣuD∞h
7 K Potassium atom 2SKh
8 KH Potassium hydride 1ΣC∞v
9 MgH magnesium monohydride 2ΣC∞v
10 ZnH+ Zinc, protonated   
11 BeH2+ Beryllium dihydride cation   
12 Al- Aluminum atom anion 3PKh
13 Al+ Aluminum atom cation 1SKh
14 Ga Gallium atom 2P 
15 Ga- Gallium atom anion 3POh
16 Ga+ Gallium atom cation 1S 
17 GaH Gallium monohydride 1ΣC∞v
18 GaH+ Gallium monohydride cation 2ΣC∞v
19 BH3+ boron trihydride cation 2B2C2v
20 BH3+ boron trihydride cation  C2v
21 AlH3- aluminum trihydride anion  C3v
22 BH4- borohydride anion 1A1Td
23 C Carbon atom 3P0Kh
24 Si- Silicon atom anion 4SKh
25 Ge Germanium atom 3PKh
26 Ge- Germanium anion 4SKh
27 Ge+ Germanium cation 2PKh
28 Sn Tin atom   
29 Sn+ Tin cation   
30 CH Methylidyne 2Π1/2C∞v
31 SiH Silylidyne 2ΠC∞v
32 GeH germylidene 2ΠC∞v
33 CH2- methylene anion 2B1C2v
34 GeH2 germylene 1A1C2v
35 CH3 Methyl radical 2A1D3h
36 SiH3 Silyl radical 2A1C3v
37 SiH3+ Silyl cation 1A1'D3h
38 GeH3 Germyl radical 2A1C3v
39 GeH3+ germyl cation 1A1'D3h
40 CH4 Methane 1A1Td
41 SiH2D2 silane-d2   
42 SiH4 Silane 1A1Td
43 GeH4 Germane 1A1Td
44 SnH4 Stannane   
45 SiH5+ Silane, protonated   
46 N Nitrogen atom 4SKh
47 P Phosphorus atom 4SKh
48 As Arsenic atomic 4SKh
49 As- Arsenic anion 3PKh
50 As+ Arsenic cation 3PKh
51 Sb Antimony atom   
52 PH phosphorus monohydride 3Σ-C∞v
53 AsH Arsenic monohydride 3ΣC∞v
54 SbH Antimony monohydride   
55 NH2 Amino radical 2B1C2v
56 NH2+ Amino cation 3B1C2v
57 NH2+ Amino cation 1A1C2v
58 NH3 Ammonia 1A1C3v
59 PH3 Phosphine 1A1C3v
60 PH3+ Phosphine cation 2A1C3v
61 AsH3 Arsine 1A1C3v
62 AsH3+ Arsine cation 2A1C3v
63 SbH3 Stibine   
64 AsH4+ Arsonium   
65 NH4 Ammonium radical   
66 PH4 Phosphoranyl radical   
67 O Oxygen atom 3SKh
68 S Sulfur atom   
69 Se Selenium atom 3PKh
70 Se- Selenium atom anion 2PKh
71 Se+ Selenium atom cation 4SKh
72 Te Tellurium atom   
73 Te+ Tellurium atom cation   
74 OH Hydroxyl radical 2ΠC∞v
75 OH+ hydoxyl cation 3ΣC∞v
76 HS- mercapto anion 1ΣC∞v
77 HS+ sulfur monohydride cation 3ΣC∞v
78 CrH Chromium hydride 6ΣC∞v
79 HSe Selenium monohydride 2ΠC∞v
80 HSe- selenium monohydride anion 1ΣC∞v
81 HSe+ selenium monohydride cation 3ΣC∞v
82 TeH Telluryl radical   
83 H2O Water 1A1C2v
84 H2O- water anion 2A1C2v
85 H2O- water anion 2A'Cs
86 H2O+ water cation 2B1C2v
87 HDO Water-d1 1A1C2v
88 H2S Hydrogen sulfide 1A1C2v
89 H2Se Hydrogen selenide 1A1C2v
90 H2Se+ Hydrogen selenide cation 2B1C2v
91 H2Te Hydrogen Telluride   
92 H3S+ Sulfonium cation 1A1C3v
93 H3Se+ Hydrogen Selenide, protonated 1A1C3v
94 F Fluorine atom 2PKh
95 Cl Chlorine atom 2PKh
96 Br Bromine atom 2PKh
97 Br- Bromine atom anion 1SKh
98 Br+ Bromine atom cation 3PKh
99 I Iodine atom 2PKh
100 I- Iodine atom anion 1SKh
101 I+ Iodine atom cation 3PKh
102 HF Hydrogen fluoride 1ΣC∞v
103 HF- hydrogen fluoride anion 2ΣC∞v
104 HF+ hydrogen fluoride cation 2ΠC∞v
105 HCl Hydrogen chloride 1ΣC∞v
106 HCl- hydrogen chloride anion 2ΣC∞v
107 HCl+ hydrogen chloride cation 2ΠC∞v
108 HBr hydrogen bromide 1ΣC∞v
109 HBr- hydrogen bromide anion 2ΣC∞v
110 HBr+ hydrogen bromide cation 2ΠC∞v
111 HI Hydrogen iodide 1ΣC∞v
112 HI+ Hydrogen iodide cation   
113 H2Cl+ dihydrogen monochloride cation 1A1C2v
114 H2Br+ protonated hydrogen bromide 2A1C2v
115 H2I+ Iodonium   
116 Ne Neon atom   
117 Kr Krypton atom 1SKh
118 Kr+ Krypton cation 2PKh
119 Xe Xenon atom 1SKh
120 HeLi+ Helium Lithium cation   
121 ArH+ Argon hydride cation 1ΣC∞v
122 KrH+ Protonated Krypton 1ΣC∞v
123 XeH+ Xenon, protonated 1ΣC∞v
124 NaLi lithium sodium 1ΣC∞v
125 Na2 Sodium diatomic 1ΣgD∞h
126 Na2- sodium diatomic anion 2ΣuD∞h
127 LiAl Lithium Aluminum   
128 HBBH Diborane(2) 3ΣGD∞h
129 B2H4 Diborane(4) D2d 1A1D2d
130 B2H6 Diborane 1AgD2h
131 B2H6+ Diborane cation   
132 CaC Calcium monocarbide   
133 GeC Germanium monocarbide 1ΣC∞v
134 SiGe Silicon Germanium   
135 C2H- Ethynyl anion 1ΣC∞v
136 C2H2 Acetylene 1ΣgD∞h
137 C2H2+ acetylene cation 2ΠuD∞h
138 C2H2+ acetylene cation   
139 H2CC- vinylidene anion   
140 HCCH- acetylene anion   
141 HCCH- acetylene anion   
142 Si2H2 disilyne   
143 Si2H2 disilyne   
144 Si2H2 disilyne   
145 Si2H2 disilyne   
146 CH3Li methyl lithium 1A1C3v
147 C2H3 vinyl 2A'Cs
148 C2H3+ vinyl cation 1A1C2V bridging H
149 C2H3+ vinyl cation 1A1C2V HCCH2
150 C2H4 Ethylene 1AgD2h
151 Si2H4 Disilene   
152 Si2H4 Disilene   
153 Si2H4 Disilene   
154 C2H5 Ethyl radical 2A'Cs
155 C2H6 Ethane 1A1gD3d
156 Si2H6 disilane 1EuD3d
157 LiN Lithium Nitride 3ΣC∞v
158 LiP Lithium monophosphide   
159 LiP Lithium monophosphide   
160 MgN Magnesium Nitride   
161 MgN Magnesium Nitride   
162 GaAs Gallium arsenide 3Π 
163 GaAs Gallium arsenide 1Σ 
164 CN Cyano radical 2ΣC∞v
165 SiP Silicon monophosphide 2ΠC∞v
166 N2 Nitrogen diatomic 1ΣgD∞h
167 N2 Nitrogen diatomic   
168 PN Phosphorus mononitride 1ΣC∞v
169 HCN Hydrogen cyanide 1ΣC∞v
170 HCN+ hydrogen cyanide cation 2ΠC∞v
171 HNC+ hydrogen isocyanide cation   
172 HCP+ Phosphaethyne cation   
173 NNH+ Dinitrogen monohydride cation 1ΣC∞v
174 LiNH2 lithium amide   
175 HBNH Boranimine 1ΣC∞v
176 H2NN Isodiazene   
177 CH2NH Methanimine 1A'Cs
178 CH2NH+ Methanimine cation   
179 CHNH2 aminomethylene   
180 CHNH2+ Aminocarbene cation   
181 BH2NH2 Boranamine   
182 CH3NH2 methyl amine 1A'Cs
183 SiH3NH2 Silane, amino   
184 BH3PH3 borane phosphine   
185 BH3NH3 borane ammonia 1A1C3v
186 CH3NH3 methyl ammonium radical 2A1C3v
187 N2H7+ ammonia ammonium dimer   
188 LiSe Lithium monoselenide   
189 CaO Calcium monoxide 1ΣC∞v
190 CaS Calcium sulfide 1ΣC∞v
191 BO boron monoxide 2ΣC∞v
192 GaO Gallium monoxide 2ΣC∞v
193 GaS Gallium monosulfide   
194 CO+ carbon monoxide cation 2ΣC∞v
195 SiO Silicon monoxide 1ΣC∞v
196 SiS silicon monosulfide 1ΣC∞v
197 CSe Carbon monoselenide 1ΣC∞v
198 GeO Germanium monoxide 1ΣC∞v
199 SiSe Silicon Monoselenide   
200 SiSe+ Silicon Monoselenide cation   
201 GeSe Germanium monoselenide   
202 NO Nitric oxide 2ΠC∞v
203 NO- nitric oxide anion 3ΣC∞v
204 NO+ nitric oxide cation 1ΣC∞v
205 PS phosphorus sulfide 2ΣC∞v
206 O2 Oxygen diatomic 3ΣgD∞h
207 O2-- dioxygen dianion   
208 SO Sulfur monoxide 3ΣC∞v
209 SO Sulfur monoxide 1ΣC∞v
210 SO+ sulfur monoxide cation 2ΠC∞v
211 S2 Sulfur diatomic 3ΣgD∞h
212 SeO Selenium monoxide 3ΣC∞v
213 TeO Tellurium monoxide   
214 Se2 Selenium diatomic 3ΣgD∞h
215 Te2 Tellurium diatomic   
216 LiOH lithium hydroxide 1ΣC∞v
217 KOH Potassium hydroxide 1ΣC∞v
218 BeOH beryllium monohydroxide 2A'Cs
219 HBO Boron hydride oxide 1ΣC∞v
220 HBS hydrogen boron sulfide 1ΣC∞v
221 COH Hydroxymethylidyne   
222 HCO Formyl radical 2A'Cs
223 HCO- formyl anion 1A'Cs
224 HCO+ Formyl cation 1ΣC∞v
225 HNO Nitrosyl hydride 1A'Cs
226 HNO+ Nitrosyl hydride cation 2A'Cs
227 HSO+ Sulfur Monoxide, S-protonated   
228 SOH Sulfur Hydroxide   
229 SOH+ Sulfur Monoxide, protonated   
230 H2CO Formaldehyde 1A1C2v
231 H2CO- formaldehyde anion 2A'Cs
232 H2CO- formaldehyde anion   
233 H2CO+ formaldehyde cation 2B2C2v
234 H2CS Thioformaldehyde 1A1C2v
235 H2CS- thioformaldehyde anion   
236 H2CS- thioformaldehyde anion   
237 H2CSe Selenoformaldehyde   
238 H2O2 Hydrogen peroxide 1AC2
239 H2O2 Hydrogen peroxide 1AgC2h
240 H2OO water oxide   
241 HOSH hydrogen thioperoxide   
242 H2Se2 hydrogen diselenide   
243 NH2OH hydroxylamine 1A'Cs
244 NH2OH+ Hydroxylamine cation   
245 NH2SH Thiohydroxylamine   
246 NH2SH Thiohydroxylamine   
247 NH3S sulfidoazane   
248 CH3OH Methyl alcohol 1A'Cs
249 CH3OH+ Methyl alcohol cation 2A"Cs
250 CH3SH Methanethiol 1A'Cs
251 SiH3OH silanol   
252 NH2OH2+ protonated hydroxylamine   
253 NH3OH+ N-protonated hydroxylamine   
254 H5O2+ Dihydroxonium ion 1AC2
255 LiF lithium fluoride 1ΣC∞v
256 LiCl lithium chloride 1ΣC∞v
257 NaF+ sodium fluoride cation 2ΣC∞v
258 LiBr Lithium Bromide 1ΣC∞v
259 LiI Lithium Iodide   
260 NaI Sodium Iodide   
261 LiF+ lithium fluoride cation 2ΠC∞v
262 CaBr Calcium monobromide   
263 BF Boron monofluoride 1ΣC∞v
264 AlF Aluminum monofluoride 1Σ+C∞v
265 GaF Gallium monofluoride 1ΣC∞v
266 AlBr Aluminum monobromide   
267 GaCl Gallium monochloride 1ΣGC∞v
268 AlI Aluminum monoiodide   
269 GaBr Gallium monobromide   
270 CF Fluoromethylidyne 2ΠC∞v
271 SiCl Clorosilylidyne 2ΠC∞v
272 CBr Carbon monobromide 2ΠC∞v
273 GeF Germanium monofluoride 2ΠC∞v
274 GeCl Germanium monochloride 2ΠC∞v
275 GeCl+ Germanium monochloride cation   
276 SiBr Silicon monobromide 2ΠC∞v
277 SiBr+ Silicon monobromide cation   
278 NCl nitrogen monochloride 3ΣC∞v
279 PBr Phosphorus monobromide   
280 ClO Monochlorine monoxide 2ΠC∞v
281 ClO+ chlorine monoxide cation 3ΣC∞v
282 SF Monosulfur monofluoride 2ΠC∞v
283 SF+ sulfur monofluoride cation 3ΣC∞v
284 SCl+ sulfur monochloride cation 3ΣgC∞v
285 BrO Bromine monoxide 2ΠC∞v
286 BrO+ Bromine monoxide cation   
287 SBr Sulfur monobromide radical   
288 SBr+ Sulfur monobromide cation   
289 IO Iodine monoxide   
290 SeBr Selenium monobromide   
291 BrCl Bromine monochloride 1ΣC∞v
292 F2 Fluorine diatomic 1ΣgD∞h
293 F2+ flourine diatomic cation 2ΠgD∞h
294 ClF Chlorine monofluoride 1Σ+C∞v
295 ClF+ clorine monofluoride cation 2ΠC∞v
296 Cl2+ chlorine diatomic cation 2ΠgD∞h
297 BrF Bromine monofluoride 1ΣC∞v
298 IF Iodine monofluoride 1ΣC∞v
299 Br2 Bromine diatomic 1ΣgD∞h
300 Br2- bromine diatomic anion 2ΣuD∞h
301 Br2+ bromine diatomic cation 2ΠgD∞h
302 ICl Iodine monochloride 1ΣC∞v
303 IBr Iodine monobromide 1ΣC∞v
304 I2 Iodine diatomic 1ΣgD∞h
305 I2+ Iodine diatomic cation 2ΠgD∞v
306 HCF Fluoromethylene 1A'Cs
307 HCF Fluoromethylene 3A"Cs
308 HSiF fluorosilylene   
309 HSiCl Chlorosilylene   
310 HSiBr monobromosilylene   
311 HOF Hypofluorous acid 1A'Cs
312 HOCl hypochlorous acid 1A'Cs
313 HOCl+ hypochlorous acid cation   
314 HOI Hypoiodous acid   
315 F2H+ Fluorine, protonated 1A'Cs
316 ClFH+ Chlorine fluoride, F-protonated   
317 FClH+ Chlorine fluoride, Cl-protonated   
318 Cl2H+ Chlorine, protonated 1A'Cs
319 CH2Br bromomethyl radical   
320 CH2F fluoromethyl radical 2ACs
321 CH2F+ fluoromethyl cation   
322 CH2Cl+ chloromethyl cation   
323 CH2Cl chloromethyl radical 2A'Cs
324 CH2Cl chloromethyl radical 2B1C2v
325 NH2Cl chloramine 1A'Cs
326 CH3F+ methyl fluoride cation   
327 CH3F Methyl fluoride 1A1C3v
328 CH3Cl Methyl chloride 1A1C3v
329 CH3Cl+ Methyl chloride cation   
330 SiH3F monofluorosilane 1A1C3v
331 SiH3Cl chlorosilane 1A1C1
332 CH3Br methyl bromide 1A1C3v
333 GeH3F monofluorogermane   
334 GeH3Cl monochlorogermane   
335 CH3I methyl iodide 1A1C3v
336 SiH3I Silyl Iodide   
337 NH3Cl+ protonated monochloroammonia   
338 CH3ClH+ methyl chloride, protonated   
339 NH4Cl Ammonium chloride   
340 LiNe+ Lithium Neon cation   
341 Ar2 Argon diatomic 1SgD∞h
342 C3 carbon trimer 1ΣgD∞h
343 C3 carbon trimer 1A1C2v
344 SiC2 Silicon dicarbide   
345 C3H4 cyclopropene 1A1C2v
346 CH2CCH2 allene 1A1D2d
347 CH3CCH propyne 1A'C3v
348 C3H6 Cyclopropane 1A1'D3h
349 CH2CHCH3 Propene 1A'Cs
350 C3H7 n-Propyl radical 2A"C1
351 CH3CHCH3 Isopropyl radical 2AC2
352 C3H8 Propane 1A1C2v
353 Si3H8 trisilane   
354 ZnCN Zinc monocyanide 2ΣC∞v
355 ZnNC Zinc isocyanide 2ΣC∞v
356 AlCN Aluminum monocyanide   
357 AlNC Aluminum isocyanide   
358 CNN Diazocarbene   
359 HN3 hydrogen azide 1A'Cs
360 HN3+ Hydrazoic acid cation   
361 HNCNH diiminomethane 1AC2
362 HNNNH+ 1,2-Triazadienium   
363 NH2NN+ hydrazoic acid, protonated   
364 CH3CN Acetonitrile 1A1C3v
365 CH3CN- acetonitrile anion 2EC3v
366 CH3CN- acetonitrile anion 2A'Cs
367 CHNCH2 2H-Azirine   
368 CHNHCH 1H-Azirine   
369 H2CCNH Ethenimine   
370 H2CNCH methyleneaminomethylene   
371 HCCNH2 Ethynamine   
372 HCNCH2+ 2H-Azirine cation   
373 NH2CNH+ cyanamide, cn protonated   
374 NH3CN+ cyanamide, amine protonated   
375 C2H6N+ aziridine, protonated 1A1C2v
376 CH3CH2NH2 Ethylamine   
377 Na2S Sodium sulfide   
378 Na2S Sodium sulfide   
379 LiO2 Lithium dioxide   
380 NaO2 Sodium superoxide   
381 NCO isocyanato radical 2ΠC∞v
382 N2O Nitrous oxide 1ΣC∞v
383 CO2 Carbon dioxide 1ΣgD∞h
384 OCS Carbonyl sulfide 1ΣC∞v
385 CS2 Carbon disulfide 1ΣgD∞h
386 GeO2 Germanium dioxide 1ΣgD∞h
387 OCSe Carbonyl selenide 1ΣC∞v
388 SCSe Carbon sulfide selenide   
389 SCTe Carbon sulfide Telluride   
390 NO2 Nitrogen dioxide 2A1C2v
391 NSO sulfinyl amidogen   
392 SNO Nitrogen oxide sulfide   
393 SO2 Sulfur dioxide 1A1C2v
394 SSO Disulfur monoxide 1A'Cs
395 S3 Sulfur trimer 1A1C2v
396 S3 Sulfur trimer   
397 SeO2 Selenium dioxide 1A1C2v
398 TeO2 Tellurium Dioxide   
399 HCCO ketenyl radical 2ΠC∞v
400 HCCO ketenyl radical 2A"Cs
401 HCNO fulminic acid 1ΣC∞v
402 HNCS Isothiocyanic acid   
403 HSCN thiocyanic acid 1A'Cs
404 HOCO Hydrocarboxyl radical 1A'cis
405 HOCO Hydrocarboxyl radical 1A'trans
406 O3H+ protonated ozone 1A'Cs
407 O3H+ protonated ozone   
408 C2H2O Oxirene 1A1C2v
409 CH2CO Ketene 1A1C2v
410 CH2CS Thioketene   
411 Be(OH)2 Beryllium hydroxide   
412 Be(OH)2 Beryllium hydroxide   
413 HCOOH Formic acid 1A'Cs
414 HCOOH Formic acid   
415 BH3CO Borane carbonyl 1A1C3v
416 CH2COH+ ketene, protonated   
417 HOCHNH hydroxymethylimine 1A'CS H all up
418 CHSNH2 thioformamide   
419 NHCHSH Methanimidothioic acid   
420 C2H4O Ethylene oxide 1A1C2v
421 C2H4O+ ethylene oxide cation   
422 CH3CHO Acetaldehyde 1A'Cs
423 CH3CHO+ acetaldehyde cation   
424 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
425 C2H4S Thiirane 1A1C2v
426 CH2CHSH Ethenethiol   
427 CH3CHS Thioacetaldehyde 1A'C1
428 NH2CHOH+ Formamide, O-protonated   
429 CH3SSH Hydrogen methyl disulfide   
430 HSCH2SH Methanedithiol   
431 C2H4OH+ ethylene oxide, protonated 1A'Cs
432 NH2CH2OH aminomethanol   
433 CH3CH2OH Ethanol 1A'Cs
434 CH3OCH3 Dimethyl ether 1A1C2v
435 CH3CH2SH ethanethiol 1A'Cs
436 CH3CH2SH ethanethiol 1AC1
437 CH3SCH3 Dimethyl sulfide 1A1C2v
438 CH3SCH3+ dimethyl sulfide cation   
439 BrCN Cyanogen bromide 1ΣC∞v
440 ICN Cyanogen iodide 1ΣC∞v
441 FBO Boron monofluoride monoxide   
442 BeBr2 Beryllium bromide   
443 CaBr2 Calcium dibromide   
444 FNO Nitrosyl fluoride 1A'Cs
445 ClNO Nitrosyl chloride 1A'Cs
446 FSN Thiazyl fluoride 1A'Cs
447 OPCl Phosphorus oxychloride   
448 INO Nitrosyl iodide 1A'Cs
449 CF2 Difluoromethylene 1A1D∞h
450 SiF2 Silicon difluoride 1A1C2v
451 GeCl2 Germanium dichloride 1A1C2v
452 FOO+ Fluorine dioxide cation   
453 OClO Chlorine dioxide 2B1D∞h
454 OClO- Chlorine dioxide anion 1A'Cs
455 BrOO Bromine dioxide   
456 OBrO Bromine dioxide radical 2B1C2v
457 PF2 Phosphorus difluoride   
458 PF2+ Phosphorus difluoride cation   
459 SF2 sulfur difluoride 1A1C2v
460 SeF2 Selenium difluoride   
461 SeCl2 Selenium Dichloride   
462 SBr2 Sulfur dibromide   
463 SeBr2 Selenium dibromide   
464 Br3- tribromide anion   
465 I3- triiodide   
466 SFCl Sulfur chloride fluoride   
467 HCCF Fluoroacetylene 1ΣC∞v
468 CHF2 difluoromethyl radical 2ACs
469 CHF2+ difluoromethyl cation   
470 CHFCl Chlorofluoromethyl radical   
471 CHFCl+ Chlorofluoromethyl cation   
472 CHCl2+ dichloromethyl cation   
473 CHBr2 dibromomethyl radical   
474 NHF2 difluoramine   
475 NHCl2 dichloroamine   
476 CH2F2 Methane, difluoro- 1A1C2v
477 SiH2F2 difluorosilane   
478 CH2Cl2 Methylene chloride 1A1C2v
479 CH2BrCl Methane, bromochloro- 1A'Cs
480 CH2FI fluoroiodomethane   
481 CH2Br2 dibromomethane 1A1C2v
482 CH2ClI chloroiodomethane   
483 CH2BrI bromoiodomethane   
484 CH2I2 Diiodomethane   
485 CH3MgBr Methyl Magnesium Bromide   
486 CH2CHF Ethene, fluoro- 1A'Cs
487 C2H3I Vinyl iodide   
488 CH2FOH fluoromethanol   
489 C2H5Br Ethyl bromide 1A'Cs
490 C2H5I Ethyl iodide   
491 XeF2 Xenon difluoride   
492 C4 Carbon tetramer 3ΣgD∞h
493 C4 Carbon tetramer   
494 C4H2+ diacetlyene cation 2ΠgD∞h
495 C4H4 Tetrahedrane   
496 C4H6 1-Methylcyclopropene 1AC1
497 CH2CHCH2CH3 1-Butene 1AC1
498 CH3CH2CH2CH3 Butane 1AgAnti
499 As4 Arsenic tetramer 1A1Td
500 H2CNCN cyanamide, methylene   
501 HNCCNH Ethenediimine   
502 C2H5CN ethyl cyanide 1A'Cs
503 H2NCHCHNH2 diaminoethylene   
504 N(SiH3)3 trisilylamine   
505 K2O2 dipotassium dioxide   
506 ONNO NO dimer 1Agtrans C2H
507 ONNO NO dimer 1A1cis C2V
508 CS3-- Carbonotrithioate   
509 SO3 Sulfur trioxide 1A1'D3h
510 SO3-- Sulfate dianion   
511 S4 Sulfur tetramer   
512 S4 Sulfur tetramer   
513 S4 Sulfur tetramer   
514 TeO3 Tellurium trioxide   
515 HNO3 Nitric acid 1A'Cs
516 C3H2O Propadienal   
517 C3H2O Propadienal   
518 C2H2O2 Ethanedial 1AgC2h
519 C2H3NO Nitrosoethylene   
520 CH3NCO methylisocyante   
521 HOCH2CN cyanomethanol   
522 CH3NO2 Methane, nitro- 1A'Cs
523 H3AlO3 Aluminum hydroxide   
524 CH2CHCHO Acrolein 1A'Cs
525 CH2CHCHO Acrolein   
526 CH2C(OH)NH2 1-amino vinyl alchohol   
527 CH3C(OH)=NH Ethaninidic acid   
528 CH3CSNH2 Ethanethioamide   
529 CH3CH2CHO Propanal 1A'Cs
530 CH3COCH3 Acetone 1A1C2v
531 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
532 C3H7OH 1-Propanol   
533 Li2F2 Lithium fluoride dimer   
534 CF2O Carbonic difluoride 1A1C2v
535 CF2O+ Carbonic difluoride cation   
536 BF3+ boron trifluoride cation   
537 BClF2 Chlorodifluoroborane   
538 BCl3 Borane, trichloro- 1A1'D3h
539 BCl3+ Boron Trichloride cation   
540 GaF3 Gallium trifluoride 1A1'D3h
541 GaCl3 Gallium trichloride 1A1'D3h
542 CF2Cl difluorochloromethyl radical   
543 CFCl2 dichlorofluoromethyl radical   
544 CBr3 tribromomethyl radical   
545 SSCl2 Thiothionyl chloride   
546 NF3 Nitrogen trifluoride 1A1C3v
547 NCl3 nitrogen trichloride 1A1C3v
548 SbF3 Antimony Trifluoride   
549 SbCl3 Antimony Trichloride   
550 NBr3 Nitrogen Tribromide 1A1C3v
551 NI3 Nitrogen triiodide   
552 PI3 Phosphorus triiodide   
553 IF3 iodone trifluoride   
554 HClO3 Chloric Acid 1A'Cs
555 HClO3 Chloric Acid 1AC1
556 CHF3 Methane, trifluoro- 1A1C3v
557 SiHF3 trifluorosilane   
558 CHCl3 Chloroform 1A1C3v
559 CHBrF2 Methane, bromodifluoro- 1A'Cs
560 CHFClBr fluorochlorobromomethane 1AC1
561 CHBrCl2 Methane, bromodichloro- 1A'Cs
562 CHF2I difluoroiodomethane   
563 CHBr2F dibromofluoromethane   
564 CHFClI fluorochloroiodomethane   
565 AsF3H+ Arsenic trifluoride, protonated   
566 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
567 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
568 C2H4F2 1,2-difluoroethane 1AgC2H anti
569 C2H4F2 1,2-difluoroethane 1AC2 gauche
570 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
571 CH2BrCH2Cl 1-bromo-2-chloroethane   
572 CH2BrCH2Cl 1-bromo-2-chloroethane   
573 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
574 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
575 CH2CHCH2F Allyl Fluoride   
576 CH2CHCH2F Allyl Fluoride   
577 CH3CHCHF trans-1-Fluoro-1-propene   
578 CH2FCH2OH 2-fluoroethanol   
579 CH2FCH2CH3 1-Fluoropropane   
580 CH3CHFCH3 2-Fluoropropane 1A'Cs
581 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
582 B5H9 pentaborane9   
583 C5H4 pentatetraene   
584 C5H8 Bicyclo[1.1.1]pentane   
585 C4H5N Pyrrole 1A1C2v
586 C3O2 Carbon suboxide 1ΣGD∞h
587 B2O3 diboron trioxide   
588 B2O3 diboron trioxide   
589 CHOOCHO diformyl ether   
590 C3H3NO Isoxazole 1A'Cs
591 C3H3NS Thiazole   
592 C4H4O Furan 1A1C2
593 C4H4Se selenophene   
594 HCOOC2H5 Ethyl formate 1A'Cs
595 C2H6O2S Dimethyl sulfone 1A1C2v
596 C4H8S Thiophene, tetrahydro- 1AC1
597 C4H10O Ethoxy ethane 1A1C2v
598 C4H10O Methyl propyl ether 1AC1
599 C4H9SH 1-Butanethiol   
600 CF3Cl Methane, chlorotrifluoro- 1A1C3v
601 CF2Cl2 difluorodichloromethane 1A1C2v
602 CF3Br Bromotrifluoromethane 1A1C3v
603 GeF4 Germanium tetrafluoride 1A1Td
604 CCl4 Carbon tetrachloride 1A1Td
605 CBrCl2F bromodichlorofluoromethane   
606 CBr2ClF dibromochlorofluoromethane   
607 CBr2Cl2 dibromodichloromethane 1A1C2v
608 CCl3I trichloroiodomethane   
609 CFClBrI fluorochlorobromoiodomethane   
610 CBr3Cl tribromochloromethane 1A1C3v
611 CF2I2 difluorodiiodomethane   
612 CBr4 Carbon tetrabromide 1A1Td
613 CCl2I2 dichlorodiiodomethane   
614 GeBr4 Germanium tetrabromide   
615 CI4 tetraiodomethane   
616 SiI4 silicon tetraiodide   
617 SF4 Sulfur tetrafluoride 1A1C2v
618 SeF4 Selenium tetrafluoride   
619 SCl4 Sulfur tetrachloride   
620 CH2ClCCCl 1,3-dichloropropyne   
621 CHCl2CCH 3,3-dichloropropyne   
622 CHCl2CHO dichloroacetaldehyde   
623 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
624 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
625 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
626 CH2FCH2CH2F 1,3-difluoropropane   
627 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
628 XeF4 Xenon tetrafluoride   
629 C2H2N2O Furazan   
630 C6H6 Prismane   
631 C6H6 1,2,4,5-Hexatetraene 1AgC2h
632 C6H6 Benzene 1A1gD6h
633 C6H6 Dewar Benzene   
634 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
635 N2O4 Dinitrogen tetroxide 1AgD2d
636 C3H2O3 vinylene carbonate   
637 C4H6O2 γ–Butyrolactone 1AC1
638 C3H6O3 1,3,5-Trioxane 1A1C1
639 C4H8O2 Ethyl acetate 1A'Cs
640 C5H10O 3-Pentanone 1A1C2v
641 C4F2 difluorobutadiyne   
642 C2ClF3 Ethene, chlorotrifluoro-   
643 C2Br4 tetrabromoethene   
644 SiF5- silicon pentafluoride anion   
645 PF5 Phosphorus pentafluoride 1A1'D3h
646 IF5 pentafluoroiodine   
647 CH2ClCCl3 1,1,1,2-tetrachloroethane   
648 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
649 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
650 CH(CN)3 tricyanomethane   
651 HN=C=C(CN)2 Dicyanoketenimine   
652 C5H4O2 furfural 1A'OCCO cis
653 C5H4O2 furfural 1A'OCCO trans
654 C6H12O Oxepane   
655 F2CCCF2 tetrafluoroallene   
656 SF6 Sulfur Hexafluoride 1A1GOh
657 C8H8 cubane 1A1GOh
658 C6H5CHO benzaldehyde 1A'Cs
659 C2Cl6 hexachloroethane 1A1gD3d
660 C6H4F2 1,4-difluorobenzene 1AgD2h
661 C3F6 hexafluoropropene   
662 C8H18O 1-Octanol   
663 C10H10 bullvalene   
664 B12H12-- Dodecahydrododecaborate(2-)   
665 C13H10 Fluorene   

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 anion h-  
5 H+ Hydrogen atom cation h+  
6 D2 Deuterium diatomic d2  
7 H2 Hydrogen diatomic h2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He- Helium atom anion he-  
13 HeH Helium hydride heh  
14 Li Lithium atom li  
15 Li- Lithium atom anion li-  
16 Li+ Lithium atom cation li+  
17 Na Sodium atom na  
18 Na- Sodium atom anion na-  
19 Na+ Sodium atom cation na+  
20 K- Potassium atom anion k-  
21 K+ Potassium atom cation k+  
22 Cu Copper atom cu  
23 Cu- Copper atom anion cu-  
24 Cu+ Copper atom cation cu+  
25 LiH Lithium Hydride lih  
26 LiH- lithium hydride anion lih-  
27 LiH+ lithium hydride cation lih+  
28 NaH sodium hydride nah  
29 NaH- sodium hydride anion nah-  
30 NaH+ sodium hydride cation nah+  
31 KH+ Potassium hydrogen cation kh+  
32 CuH Copper monohydride cuh  
33 Be Beryllium atom be  
34 Be- Beryllium atom anion be-  
35 Be+ Beryllium atom cation be+  
36 Mg Magnesium atom mg  
37 Mg- Magnesium atom anion mg-  
38 Mg+ Magnesium atom cation mg+  
39 Ca Calcium atom ca  
40 Ca- Calcium atom anion ca-  
41 Ca+ Calcium atom cation ca+  
42 Zn Zinc atom zn  
43 Zn- Zinc atom anion zn-  
44 Zn+ Zinc atom cation zn+  
45 BeH beryllium monohydride beh  
46 BeH- berylium monohydride anion beh-  
47 BeH+ beryllium monohydride cation beh+  
48 MgH- magnesium monohydride anion mgh-  
49 MgH+ magnesium monohydride cation mgh+  
50 CaH Calcium monohydride cah  
51 CaH+ Calcium monohydride cation cah+  
52 TiH Titanium monohydride tih  
53 ZnH Zinc monohydride znh  
54 BeH2 beryllium dihydride beh2  
55 MgH2 magnesium dihydride mgh2  
56 CaH2 Calcium Hydride cah2  
57 ZnH2 Zinc hydride znh2  
58 B Boron atom b  
59 B- Boron atom anion b-  
60 B+ Boron atom cation b+  
61 Al Aluminum atom al  
62 Sc Scandium atom sc  
63 Sc+ Scandium cation sc+  
64 BH Boron monohydride bh  
65 BH- boron monohydride anion bh-  
66 BH+ boron monohydride cation bh+  
67 AlH aluminum monohydride alh  
68 AlH- aluminum monohydride anion alh-  
69 AlH+ aluminum monohydride cation alh+  
70 ScH Scandium monohydride sch  
71 ScH+ Scandium monohydride cation sch+  
72 BH2 boron dihydride bh2  
73 BH2- boron dihydride anion bh2-  
74 BH2+ Boron dihydride cation bh2+  
75 AlH2 aluminum dihydride alh2  
76 AlH2- aluminum dihydride anion alh2-  
77 AlH2+ aluminum dihydride cation alh2+  
78 BH3 boron trihydride bh3  
79 BH3- boron trihydride anion bh3-  
80 AlH3 aluminum trihydride alh3  
81 AlH3+ aluminum trihydride cation alh3+  
82 ScH3 Scandium trihydride sch3  
83 GaH3 Gallium trihydride gah3  
84 BH4 borohydride bh4  
85 AlH4- Aluminum tetrahydride anion alh4-  
86 C- Carbon atom anion c-  
87 C+ Carbon atom cation c+  
88 Si Silicon atom si  
89 Si+ Silicon atom cation si+  
90 Ti Titanium atom ti  
91 Ti- Titanium atom anion ti-  
92 Ti+ Titanium atom cation ti+  
93 CH- methylidyne anion ch-  
94 CH+ Methylidyne cation ch+  
95 SiH- silicon monohydride anion sih-  
96 SiH+ silicon monohydride cation sih+  
97 GeH+ Germaniun monohyrdide cation geh+  
98 CH2 Methylene ch2  
99 CH2+ methylene cation ch2+  
100 SiH2 silicon dihydride sih2  
101 SiH2- silicon dihydride anion sih2-  
102 SiH2+ silicon dihydride cation sih2+  
103 GeH2- germylene anion geh2-  
104 CH3- methyl anion ch3-  
105 CH3+ methyl cation ch3+  
106 SiH3- Silyl anion sih3-  
107 CD4 methane-d4 cd4  
108 CH2D2 methane-d2 ch2d2  
109 CH3D methane-d ch3d  
110 CH4- Methane anion ch4-  
111 CH4+ Methane cation ch4+  
112 CHD3 methane-d3 chd3  
113 SiH4+ Silane cation sih4+  
114 N- Nitrogen atom anion n-  
115 N+ Nitrogen atom cation n+  
116 P- Phosphorus atom anion p-  
117 P+ Phosphorus atom cation p+  
118 V Vanadium atom v  
119 V+ Vanadium atom cation v+  
120 NH Imidogen nh  
121 NH- Imidogen anion nh-  
122 NH+ imidogen cation nh+  
123 PH- phosphorus monohydride anion ph-  
124 PH+ phosphorus monohydride cation ph+  
125 AsH+ Arsenic monohydride cation ash+  
126 ND2 Amidogen-d2 nd2  
127 NH2- amino anion nh2-  
128 PH2 Phosphino radical ph2  
129 PH2- Phosphino anion ph2-  
130 PH2+ Phosphino cation ph2+  
131 AsH2 Arsenic dihydride ash2  
132 AsH2+ Arsenic dihydride cation ash2+  
133 ND3 Ammonia-d3 nd3  
134 NH3- Ammonia anion nh3-  
135 NH3+ ammonia cation nh3+  
136 NH4+ ammonium cation nh4+  
137 PH4+ phosphonium cation ph4+  
138 O- Oxygen atom anion o-  
139 O+ Oxygen atom cation o+  
140 S Sulfur atom s  
141 S- Sulfur atom anion s-  
142 S+ Sulfur atom cation s+  
143 Cr Chromium atom cr  
144 DO Hydroxyl-d od  
145 OH- hydroxide anion oh-  
146 DS Mercapto-d ds  
147 HS Mercapto radical hs  
148 CrH+ Chromium hydride cation crh+  
149 D2O Deuterium oxide d2o  
150 D2S Hydrogen sulfide-d2 d2s  
151 H2S- Hydrogen sulfide anion h2s-  
152 H2S+ Hydrogen sulfide cation h2s+  
153 H3O+ hydronium cation h3o+  
154 F- Fluorine atom anion f-  
155 F+ Fluorine atom cation f+  
156 Cl- Chlorine atom anion cl-  
157 Cl+ Chlorine atom cation cl+  
158 Mn Manganese atom mn  
159 DF Hydrofluoric acid-d df  
160 DCl Hydrochloric acid-d dcl  
161 H2F+ dihydrogen fluoride cation h2f+  
162 Ne Neon atom ne  
163 Ne- Neon atom anion ne-  
164 Ne+ Neon atom cation ne+  
165 Ar Argon atom ar  
166 Ar- Argon atom anion ar-  
167 Ar+ Argon atom cation ar+  
168 Fe Iron atom fe  
169 NeH neon hydrogen neh  
170 NeH+ neon hydrogen cation neh+  
171 H2Ar H2 Ar dimer h2ar  
172 Co Cobalt atom cobalt  
173 Ni Nickel atom ni  
174 Li2 Lithium diatomic li2  
175 Li2- lithium diatomic anion li2-  
176 Li2+ lithium diatomic cation li2+  
177 NaLi- lithium sodium anion lina-  
178 NaLi+ lithium sodium cation lina+  
179 LiK Lithium Potassium lik  
180 Na2+ sodium diatomic cation na2+  
181 NaK Sodium Potassium nak  
182 NaK+ Sodium Potassium diatomic cation nak+  
183 K2 Potassium diatomic k2  
184 Cu2 Copper diatomic cu2  
185 LiBe Lithium Beryllium libe  
186 LiMg Lithium magnesium limg  
187 NaBe Sodium Beryllium nabe  
188 NaMg Sodium Magnesium namg  
189 Be2 Beryllium diatomic be2  
190 Be2- Beryllium diatomic anion be2-  
191 Be2+ Beryllium diatomic cation be2+  
192 BeMg Beryllium Magnesium bemg  
193 Mg2 Magnesium diatomic mg2  
194 Mg2- magnesium diatomic anion mg2-  
195 Mg2+ magnesium diatomic cation mg2+  
196 Ca2 Calcium diatomic ca2  
197 LiB Lithium boride lib  
198 NaAl Sodium aluminum naal  
199 BeB Beryllium monoboride beb  
200 B2 Boron diatomic b2  
201 B2- Boron diatomic anion b2-  
202 B2+ Boron diatomic cation b2+  
203 BAl Boron Aluminum bal  
204 Al2 Aluminum diatomic al2  
205 Al2- aluminum diatomic anion al2-  
206 Al2+ aluminum diatomic cation al2+  
207 BGa Boron Gallium bga  
208 AlGa Aluminum Gallium alga  
209 Ga2 Gallium diatomic ga2  
210 LiBH4 Lithium borohydride libh4  
211 HBHHBH Diborane(4) C2V hbhhbh  
212 Al2H6 dialane al2h6  
213 Ga2H6 digallane ga2h6  
214 LiC Lithium Carbide lic  
215 BeC Beryllium Carbide bec  
216 BC boron monocarbide bc  
217 BC- boron monocarbide anion bc-  
218 BC+ boron monocarbide cation bc+  
219 AlC Aluminum carbide alc  
220 BSi Boron silicide bsi  
221 C2 Carbon diatomic c2  
222 C2- carbon diatomic anion c2-  
223 C2+ carbon diatomic cation c2+  
224 SiC silicon monocarbide sic  
225 SiC- silicon monocarbide anion sic-  
226 SiC+ silicon monocarbide cation sic+  
227 Si2 Silicon diatomic si2  
228 Si2- silcon diatomic anion si2-  
229 Si2+ silcon diatomic cation si2+  
230 Ge2 Germanium diatomic ge2  
231 C2H Ethynyl radical c2h  
232 C2H+ Ethynyl cation c2h+  
233 ZnCH2 Zinc methylene znch2  
234 CCH2 vinylidene vinylidene  
235 CuCH3 monomethyl copper cuch3  
236 ZnCH3 Zinc monomethyl znch3  
237 CH2BH methyleneborane ch2bh  
238 C2H3- vinyl anion c2h3-  
239 C2H4- Ethylene anion c2h4-  
240 C2H4+ Ethylene cation c2h4+  
241 CH3CH methylmethylene ch3ch  
242 CH2SiH2 silaethylene ch2sih2  
243 CH3BH2 methylborane ch3bh2  
244 C2H5- Ethyl anion c2h5-  
245 C2H5+ Ethyl cation c2h5+  
246 C2H6+ ethane cation c2h6+  
247 CH3SiH3 methyl silane ch3sih3  
248 GeH3CH3 methyl germane geh3ch3  
249 C2H7+ Ethane, protonated c2h7+  
250 LiN+ Lithium Nitride cation lin+  
251 BeN Beryllium mononitride ben  
252 BeN- Beryllium mononitride anion ben-  
253 BeN+ Beryllium mononitride cation ben+  
254 BN- boron nitride anion bn-  
255 AlN- aluminum mononitride anion aln-  
256 AlN+ aluminum mononitride cation aln+  
257 BP Boron monophosphide bp  
258 AlP Aluminum monophosphide alp  
259 GaN Gallium mononitride gan  
260 GaP Gallium monophosphide gap  
261 BN boron nitride bn  
262 BN+ boron nitride cation bn+  
263 AlN Aluminum nitride aln  
264 CN- cyanide anion cn-  
265 CN+ Cyano cation cn+  
266 CP Carbon monophosphide cp  
267 CP- carbon monophosphide anion cp-  
268 CP+ carbon monophosphide cation cp+  
269 SiN Silicon nitride sin  
270 SiN- silicon mononitride anion sin-  
271 SiN+ silicon mononitride cation sin+  
272 SiP- Silicon monophosphide anion sip-  
273 SiP+ Silicon monophosphide cation sip+  
274 TiN Titanium mononitride tin  
275 N2- nitrogen diatomic anion n2-  
276 N2+ diatomic nitrogen cation n2+  
277 PN- phosphorus nitride anion pn-  
278 PN+ phosphorus nitride cation pn+  
279 P2 Phosphorus diatomic p2  
280 P2- phosphorus diatomic anion p2-  
281 P2+ phosphorus diatomic cation p2+  
282 AsN Arsenic mononitride asn  
283 AsP Arsenic monophosphide asp  
284 SbN Antimony nitride sbn  
285 As2 Arsenic diatomic as2  
286 HNB hydrogen nitrogen boron hnb  
287 HNC hydrogen isocyanide hnc  
288 HCN- Hydrogen cyanide anion hcn-  
289 HCP Phosphaethyne hcp  
290 NNH Dinitrogen monohydride nnh  
291 HPO Hydrogen phosphorus oxide hpo  
292 HPO+ Hydrogen phosphorus oxide cation hpo+  
293 CNH2 Aminomethylidyne radical cnh2  
294 CNH2+ N-protonated hydrogen isocyanide cnh2+  
295 H2CN Dihydrogen cyanide radical h2cn  
296 H2CN+ hydrocyanonium cation h2cn+  
297 HCNH methyleneazane hcnh  
298 HCNH+ N-protonated HCN hcnh+  
299 N2H2 (E)-diazene n2h2  
300 N2H2 (Z)-Diazene n2h2z  
301 N2H2+ trans-diazene cation n2h2+  
302 CH2PH Phosphaethene ch3p  
303 CH2NH2+ methyleneamine cation ch2nh2+  
304 N2H4 Hydrazine n2h4  
305 N2H4+ hydrazine cation n2h4+  
306 P2H4 Diphosphine p2h4  
307 CH3NH2+ methyl amine cation ch3nh2+  
308 CH3PH2 Methyl phosphine ch3ph2  
309 N2H5+ protonated hydrazine n2h5+  
310 CH3NH3+ protonated methylamine ch3nh3+  
311 CH3PH3+ methyl phosphine, protonated ch3ph3+  
312 NH3NH3 Ammonia Dimer nh3nh3  
313 LiO lithium oxide lio  
314 LiO- lithium oxide anion lio-  
315 LiO+ lithium oxide cation lio+  
316 LiS Lithium monosulfide lis  
317 LiS+ Lithium sulfide cation lis+  
318 NaO sodium monoxide nao  
319 NaO- sodium oxide anion nao-  
320 NaO+ sodium oxide cation nao+  
321 KO Potassium monoxide ko  
322 KO+ Potassium monoxide cation ko+  
323 NaS Sodium sulfide nas  
324 CuO Copper Monoxide cuo  
325 BeO beryllium oxide beo  
326 BeO- Beryllium monoxide anion beo-  
327 BeO+ Beryllium monoxide cation beo+  
328 BeS beryllium sulfide bes  
329 MgO magnesium oxide mgo  
330 MgO- magnesium oxide anion mgo-  
331 MgO+ magnesium oxide cation mgo+  
332 MgS magnesium sulfide mgs  
333 MgS- magnesium sulfide anion mgs-  
334 MgS+ magnesium sulfide cation mgs+  
335 ZnO zinc monoxide zno  
336 ZnS Zinc sulfide zns  
337 BeS- Beryllium monosulfide anion bes-  
338 BeS+ Beryllium monosulfide cation bes+  
339 BO- boron monoxide anion bo-  
340 AlO Aluminum monoxide alo  
341 AlO- Aluminum monoxide anion alo-  
342 AlO+ aluminum monoxide cation alo+  
343 BS boron sulfide bs  
344 BS- boron monosulfide anion bs-  
345 BS+ boron monosulfide cation bs+  
346 AlS Aluminum sulfide als  
347 AlS- aluminum monosulfide anion als-  
348 AlS+ aluminum monosulfide cation als+  
349 ScO Scandium monoxide sco  
350 BO+ boron monoxide cation bo+  
351 CO Carbon monoxide co  
352 CO- carbon monoxide anion co-  
353 CS carbon monosulfide cs  
354 CS- carbon monosulfide anion cs-  
355 CS+ carbon monosulfide cation cs+  
356 SiO- silicon monoxide anion sio-  
357 SiO+ silicon monoxide cation sio+  
358 SiS- silicon monosulfide anion sis-  
359 SiS+ silicon monosulfide cation sis+  
360 TiO Titanium monoxide tio  
361 CSe- Carbon monoselenide anion cse-  
362 CSe+ Carbon monoselenide cation cse+  
363 GeO+ Germanium monoxide cation geo+  
364 GeS Germanium monosulfide ges  
365 NS Mononitrogen monosulfide ns  
366 NS- nitrogen sulfide anion ns-  
367 NS+ nitrogen sulfide cation ns+  
368 PO Phosphorus monoxide po  
369 PO- phosphorus monoxide anion po-  
370 PO+ phosphorus monoxide cation po+  
371 PS- phosphorus monosulfide anion ps-  
372 PS+ phosphorus monosulfide cation ps+  
373 VO Vanadium monoxide vo  
374 AsO Arsenic monoxide aso  
375 NSe Nitrogen monoselenide nse  
376 AsS Arsenic monosulfide ass  
377 PSe Phosphorus monoselenide pse  
378 AsSe Arsenic monoselenide asse  
379 O2- oxygen diatomic anion o2-  
380 O2+ diatomic oxygen cation o2+  
381 SO- sulfur monoxide anion so-  
382 S2- sulfur diatomic anion s2-  
383 S2+ sulfur diatomic cation s2+  
384 SeO- selenium monoxide anion seo-  
385 SeO+ selenium monoxide cation seo+  
386 SeS Selenium monosulfide ses  
387 SeS- selenium monosulfide anion ses-  
388 SeS+ selenium monosulfide cation ses+  
389 Se2- selenium diatomic anion se2-  
390 Se2+ selenium diatomic cation se2+  
391 NaOH sodium hydroxide naoh  
392 MgOH magnesium hydroxide mgoh  
393 CaOH Calcium monohydroxide caoh  
394 COH+ Carbon Monoxide, protonated coh+  
395 HCS Thioformyl radical hcs  
396 HCS- Thioformyl anion hcs-  
397 HCS+ Thioformyl cation hcs+  
398 HNO- Nitrosyl hydride anion hno-  
399 NOH Hydroxyimidogen noh  
400 NOH+ O-protonated nitric oxide noh+  
401 HNS Sulfur imide hns  
402 HNS- Sulfur imide anion hns-  
403 HO2 Hydroperoxy radical ho2  
404 HO2- Hydroperoxy anion ho2-  
405 HO2+ Hydroperoxy cation ho2+  
406 HS2 Thiosulfeno radical hs2  
407 HOCH hydroxycarbene hoch  
408 H2CS+ thioformaldehyde cation h2cs+  
409 H2NO nitroxide h2no  
410 H2O2+ Hydrogen peroxide cation h2o2+  
411 H2S2 Disulfane h2s2  
412 H2S2+ hydrogen disulfide cation h2s2+  
413 CH2OH Hydroxymethyl radical ch2oh  
414 CH2OH+ hydroxymethyl cation ch2oh+  
415 CH3O Methoxy radical ch3o  
416 CH3O- methoxy anion ch3o-  
417 CH3O+ Methoxy cation ch3o+  
418 CH3S thiomethoxy ch3s  
419 H2CSH+ Thioformaldehyde, protonated h2csh+  
420 NH3O Ammonia Oxide nh3o  
421 H2POH Phosphinous acid h2poh  
422 H3PO Phosphine oxide h3po  
423 H3O2+ hydrogen peroxide, protonated h3o2+  
424 CH3OH- Methyl alcohol anion ch3oh-  
425 CH3SH+ Methanethiol cation ch3sh+  
426 CH3SeH Methane selenol ch3seh  
427 H2OH2O water dimer h2oh2o  
428 CH3OH2+ Methanol, protonated ch3oh2+  
429 CH3SH2+ protonated methylsulfide ch3sh2+  
430 H2ONH3 Water Ammonia Dimer h2onh3  
431 LiCl- lithium chloride anion licl-  
432 LiCl+ lithium chloride cation licl+  
433 NaF sodium fluoride naf  
434 NaF- sodium fluoride anion naf-  
435 KF Potassium Fluoride kf  
436 NaCl Sodium Chloride nacl  
437 NaCl- sodium chloride anion nacl-  
438 NaCl+ sodium chloride cation nacl+  
439 KCl Potassium Chloride kcl  
440 CuF Copper monofluoride cuf  
441 LiBr- lithium bromide anion libr-  
442 LiBr+ lithium bromide cation libr+  
443 CuCl Copper monochloride cucl  
444 NaBr Sodium Bromide nabr  
445 NaBr- sodium bromide anion nabr-  
446 NaBr+ sodium bromide cation nabr+  
447 KBr Potassium Bromide kbr  
448 KI Potassium Iodide ki  
449 LiF- lithium fluoride anion lif-  
450 BeF Beryllium monofluoride bef  
451 BeF- Beryllium monofluoride anion bef-  
452 BeF+ Beryllium monofluoride cation bef+  
453 BeCl beryllium monochloride becl  
454 MgF Magnesium monofluoride mgf  
455 MgF- magnesium fluoride anion mgf-  
456 MgF+ magnesium fluoride cation mgf+  
457 CaF Calcium monofluoride caf  
458 MgCl magnesium monochloride mgcl  
459 MgCl- magnesium monochloride anion mgcl-  
460 MgCl+ magnesium monochloride cation mgcl+  
461 CaCl calcium monochloride cacl  
462 TiCl Titanium Monochloride ticl  
463 ZnF Zinc monofluoride znf  
464 ZnF- Zinc monofluoride anion znf-  
465 ZnF+ Zinc monofluoride cation znf+  
466 ZnCl Zinc monochloride zncl  
467 BeCl- beryllium monochloride anion becl-  
468 BeCl+ beryllium monochloride cation becl+  
469 BF- Boron monofluoride anion bf-  
470 BF+ Boron monofluoride cation bf+  
471 AlF- Aluminum monofluoride anion alf-  
472 AlF+ Aluminum monofluoride cation alf+  
473 BCl boron monochloride bcl  
474 BCl- boron monochloride anion bcl-  
475 BCl+ boron monochloride cation bcl+  
476 AlCl Aluminum monochloride alcl  
477 AlCl- aluminum monochloride anion alcl-  
478 AlCl+ aluminum monochloride cation alcl+  
479 ScF Scandium monofluoride scf  
480 BBr Boron monobromide bbr  
481 GaF+ Gallium monofluoride cation gaf+  
482 GaCl+ Gallium monochloride cation gacl+  
483 CF- carbon monofluoride anion cf-  
484 CF+ carbon monofluoride cation cf+  
485 CCl carbon monochloride ccl  
486 CCl- carbon monochloride anion ccl-  
487 CCl+ carbon monochloride cation ccl+  
488 SiF silicon monofluoride sif  
489 SiF- silicon monofluoride anion sif-  
490 SiF+ silicon monofluoride cation sif+  
491 SiCl- silicon monochloride anion sicl-  
492 SiCl+ silicon monochloride cation sicl+  
493 GeF+ Germanium monofluoride cation gef+  
494 NF nitrogen fluoride nf  
495 NF- nitrogen monofluorine anion nf-  
496 NF+ nitrogen monofluoirde cation nf+  
497 NCl- nitrogen monochloride anion ncl-  
498 NCl+ nitrogen monochloride cation ncl+  
499 PF phosphorus monofluoride pf  
500 PF- phosphorus monofluoride anion pf-  
501 PF+ phosphorus monofluoride cation pf+  
502 PCl phosphorus chloride pcl  
503 PCl- phosphorus monochloride anion pcl-  
504 PCl+ phosphorus monochloride cation pcl+  
505 AsF Arsenic monofluoride asf  
506 NBr nitrogen monobromide nbr  
507 AsCl Arsenic monochloride ascl  
508 SbF Antimony monofluoride sbf  
509 SbCl Antimony monochloride sbcl  
510 FO Oxygen monofluoride fo  
511 FO- flourine oxide anion fo-  
512 FO+ fluorine monoxide cation fo+  
513 ClO- chlorine monoxide anion clo-  
514 SF- sulfur monofluoride anion sf-  
515 SCl sulfur monochloride scl  
516 SCl- sulfur monochloride anion scl-  
517 BrO- Bromine monoxide anion bro-  
518 SeF Selenium monofluoride sef  
519 SeCl Selenium monochloride secl  
520 F2- flourine diatomic anion f2-  
521 ClF- clorine monofluoride anion clf-  
522 Cl2 Chlorine diatomic cl2  
523 Cl2- chlorine diatomic anion cl2-  
524 BrF- bromine fluoride anion brf-  
525 BrF+ bromine fluoride cation brf+  
526 BrCl- bromine chloride anion brcl-  
527 BrCl+ bromine chloride cation brcl+  
528 HCCl Chloromethylene hccl  
529 CHBr bromomethylene chbr  
530 DOCl Hypochlorous acid-d docl  
531 HOBr Hypobromous acid hobr  
532 HOBr+ Hypobromous acid cation hobr+  
533 FHF Hydrogen difluoride fhf  
534 FHF- Hydrogen difluoride anion fhf-  
535 NH2F monofluoroamine nh2f  
536 H2F2 Hydrogen fluoride dimer h2f2  
537 CD3F methylfluoride-d3 cd3f  
538 CD3Cl methyl chloride d3 cd3cl  
539 SiH3Br bromosilane sih3br  
540 Ne2 Neon diatomic ne2  
541 Ne2+ Neon diatomic cation ne2+  
542 Ar2+ Argon diatomic cation ar2+  
543 Li3 Lithium trimer li3  
544 Li3+ Lithium trimer cation li3+  
545 C3+ carbon trimer cation c3+  
546 C3H3 cyclopropenyl radical cpr  
547 C3H3 Propargyl radical propargyl  
548 C3H3- Propargyl anion c3h3-  
549 C3H3+ cyclopropenyl cation cpr+  
550 C3H3+ Propargyl cation c3h3+  
551 C3H5 Allyl radical allyl  
552 C3H5+ Allyl cation allyl+  
553 CH3CHCH 1-propenyl radical ch3chch  
554 Zn(CH3)2 dimethyl zinc dmz  
555 C3H7+ cyclopropane, protonated c3h7+  
556 CH3CHCH3+ Isopropyl cation prop2yl+  
557 SiH2(CH3)2 dimethylsilane dms  
558 LiCN lithium cyanide licn  
559 NaCN Sodium Cyanide nacn  
560 KCN Potassium cyanide kcn  
561 CuCN Copper cyanide cucn  
562 CN2 3H-Diazirin-3-ylidene cn2  
563 NCN Cyanoimidogen ncn  
564 N3 azide radical n3  
565 N3- azide anion n3-  
566 N3+ azide cation n3+  
567 HCCN cyanomethylene hccn  
568 HCNN diazomethyl radical hcnn  
569 CH2N2 diazirine ch2n2  
570 CH2NN diazomethane ch2nn  
571 NH2CN cyanamide cyanamide  
572 CH3CN+ Acetonitrile cation ch3cn+  
573 CH3NC methyl isocyanide ch3nc  
574 HNCNH2+ diiminomethane, protonated hncnh2+  
575 NCNH3+ Cyanamide, protonated ncnh3+  
576 CH2CHNH vinylazine ch2chnh  
577 CH3CHN methylmethaniminyl radical ch3chn  
578 NHCHNH2 aminomethanimine cn2h4  
579 C2H5N Aziridine c2h5n  
580 CH2CHNH2 aminoethene aminoethene  
581 CH2NCH3 N-methylmethanimine nmm  
582 CH3CHNH ethanimine ethanimine  
583 NH2BHNH2 diaminoborane nh2bhnh2  
584 C2H5NH+ Protonated Aziridine c2h5nh+  
585 NH2CH2NH2 diaminomethane nh2ch2nh2  
586 CH3NHCH3 Dimethylamine ch3nhch3  
587 CH3PHCH3 dimethylphosphine ch3phch3  
588 NH2CH2NH3+ diaminoethane, protonated pdam  
589 (CH3)2NH2+ dimethylammonium cation dmam  
590 CH3CH2NH3+ ethylamine, protonated pea  
591 Li2O dilithium oxide li2o  
592 Li2O+ dilithium oxide cation li2o+  
593 Li2S dilithium sulfide li2s  
594 Na2O disodium monoxide na2o  
595 CCO Dicarbon monoxide cco  
596 CNO- fulminate cno-  
597 NCO- cyanate nco-  
598 SCN thiocyanato radical scn  
599 SCN- thiocyanide anion scn-  
600 BO2 Boron dioxide bo2  
601 BO2- Boron dioxide anion bo2-  
602 BO2+ Boron dioxide cation bo2+  
603 N2O- Nitrous oxide anion n2o-  
604 N2O+ Nitrous oxide cation n2o+  
605 NNS Nitrogen sulfide nns  
606 PPO Phosphorus oxide phosphide ppo  
607 CO2- Carbon dioxide anion co2-  
608 CO2+ Carbon dioxide cation co2+  
609 OCS+ Carbonyl sulfide cation cos+  
610 SiO2 silicon dioxide sio2  
611 CS2- Carbon disulfide anion cs2-  
612 CS2+ Carbon disulfide cation cs2+  
613 TiO2 Titanium dioxide tio2  
614 SiS2 Silicon disulfide sis2  
615 GeS2 Germanium disulfide ges2  
616 CSe2 Carbon diselenide cse2  
617 NO2- Nitrogen dioxide anion no2-  
618 NO2+ Nitrogen dioxide cation no2+  
619 PO2 Phosphorus dioxide po2  
620 PO2- Phosphorus dioxide anion po2-  
621 PO2+ Phosphorus dioxide cation po2+  
622 AsO2 Aresenic dioxide aso2  
623 O3 Ozone o3  
624 O3- Ozone anion o3-  
625 O3+ Ozone cation o3+  
626 SO2- Sulfur dioxide anion so2-  
627 SO2+ Sulfur dioxide cation so2+  
628 S3- Sulfur trimer anion s3-  
629 S3+ Sulfur trimer cation s3+  
630 SeO2+ Selenium dioxide cation seo2+  
631 CS2H+ Carbon disulfide, protonated cs2h+  
632 HNCO Isocyanic acid hnco  
633 HOCN cyanic acid hocn  
634 HCO2- formate anion hco2-  
635 HNNO nitrosoazane hnno  
636 HNNO+ Nitrous oxide, N-protonated hnno+  
637 NNOH+ Nitrous Oxide, O-protonated nnoh+  
638 HCOO formate neutral radical hcoo  
639 HOCO+ Hydrocarboxyl cation hoco+  
640 HNO2 Nitrous acid hno2  
641 HNO2+ nitrous acid cation hno2+  
642 SO2H+ protonated sulfur dioxide so2h+  
643 CH2CO+ Ketene cation ch2co+  
644 HCCOH ethynol hccoh  
645 Mg(OH)2 Magnesium dihydroxide h2mgo2  
646 NH2NO Nitrosamide nh2no  
647 CH2O2 Dioxirane diox  
648 H2COO Dioxymethyl radical h2coo  
649 H2COO+ dioxymethyl cation h2coo+  
650 H2O3 Hydrogen trioxide h2o3  
651 HSSSH trisulfane hsssh  
652 NaOCH3 Sodium methoxide naoch3  
653 CH2BOH hydroxy(methylene)borane ch2boh  
654 CH3BO Borane, methyloxo- ch3bo  
655 CH2CHO Vinyloxy radical ch2cho  
656 CH3CO Acetyl radical ch3co  
657 CH3CO- Acetyl anion ch3co-  
658 CH3CO+ acetyl cation ch3co+  
659 CH2NOH formaldoxime ch2noh  
660 CH3NO nitrosomethane ch3no  
661 CHONH2 formamide formamide  
662 CNOH3 1,2-oxaziridine cnoh3  
663 CH2OOH CH2OOH radical ch2ooh  
664 CH3OO methylperoxy radical ch3oo  
665 CH3OO- methylperoxy anion ch3oo-  
666 CH3OO+ methylperoxy cation ch3oo+  
667 CH2CHOH ethenol ch2choh  
668 H2CONH2+ protonated formamide h2conh2+  
669 NH3CHO+ Formamide, N-Protonated nh3cho+  
670 CH2(OH)2 methanediol ch2o2h2  
671 CH3OOH Methyl peroxide ch3ooh  
672 H2OH2CO water formaldehyde dimer h2oh2co  
673 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
674 CH3CH2O Ethoxy radical ethoxy  
675 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
676 CH3CHOH+ acetaldehyde, protonated ch3choh+  
677 CH3OCH2 methoxymethyl radical ch3och2  
678 CH3SeCH3 dimethylselenide dmse  
679 CH3OHH2O methanol water dimer ch3ohh2o  
680 H2OCH3OH water methanol dimer h2och3oh  
681 CuF2 Copper difluoride cuf2  
682 ZnF2 Zinc difluoride znf2  
683 CNF iso cyanogen fluoride cnf  
684 FCN Cyanogen fluoride fcn  
685 ClCN chlorocyanogen clcn  
686 BeF2 Beryllium fluoride bef2  
687 MgF2 Magnesium fluoride mgf2  
688 BeCl2 Beryllium chloride becl2  
689 MgCl2 Magnesium dichloride mgcl2  
690 CaCl2 Calcium Chloride cacl2  
691 ZnCl2 Zinc dichloride zncl2  
692 CaF2 Calcium difluoride caf2  
693 FCO Carbonyl fluoride fco  
694 FCO+ Carbonyl fluoride cation fco+  
695 ClCO carbonyl monochloride clco  
696 BF2 Boron difluoride radical bf2  
697 FNS Thionitrosyl fluoride fns  
698 BrNO Nitrosyl bromide brno  
699 CF2- Difluoromethylene anion cf2-  
700 CF2+ Difluoromethylene cation cf2+  
701 CFCl chlorofluoromethylene cfcl  
702 SiF2+ Silicon difluoride cation sif2+  
703 CCl2 dichloromethylene ccl2  
704 CCl2- dichloromethylene anion ccl2-  
705 CCl2+ dichloromethylene cation ccl2+  
706 SiCl2 Dichlorosilylene sicl2  
707 GeF2 Germanium difluoride gef2  
708 CBr2 dibromomethylene cbr2  
709 FOO Dioxygen monofluoride radical foo  
710 ClOO chloroperoxy radical cloo  
711 ClOO+ chloroperoxy cation cloo+  
712 OClO+ Chlorine dioxide cation oclo+  
713 ClSO Sulfur chloride oxide clso  
714 ClS2 Sulfur chloride cls2  
715 NF2 Difluoroamino radical nf2  
716 NF2+ Difluoroamino cation nf2+  
717 FClO chlorosyl fluoride fclo  
718 F2O Difluorine monoxide f2o  
719 ClOF Chlorine hypofluorite clof  
720 SF2- sulfur difluoride anion sf2-  
721 SF2+ sulfur difluoride cation sf2+  
722 Cl2O Dichlorine monoxide cl2o  
723 SCl2 Sulfur dichloride scl2  
724 BrOCl Bromine hypochlorite brocl  
725 BrOBr Bromine oxide brobr  
726 F3- trifluoride anion f3-  
727 Cl3- trichloride anion cl3-  
728 HCCF+ fluoroacetylene cation hccf+  
729 HCCCl Chloroacetylene hcccl  
730 HCCBr bromoacetylene hccbr  
731 HFCO formyl fluoride hfco  
732 HFCO+ formyl fluoride cation hfco+  
733 COHCl Formyl chloride cohcl  
734 COHBr Formyl bromide cohbr  
735 BHF2 Difluoroborane bhf2  
736 BHCl2 Borane, dichloro- bhcl2  
737 CHCl2 dichloromethyl radical chcl2  
738 HOClO Chlorous acid hoclo  
739 CH2FCl fluorochloromethane ch2fcl  
740 CH2BrF Methane, bromofluoro- ch2fbr  
741 SiH2Cl2 dichlorosilane sih2cl2  
742 CH2CHF+ fluoroethene cation ch2chf+  
743 C2H3Cl Ethene, chloro- ch2chcl  
744 C2H3Br vinyl bromide c2h3br  
745 CH3OCl methyl hypochlorite ch3ocl  
746 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
747 CHClCH3 1-chloroethyl radical chclch3  
748 C2H5F fluoroethane c2h5f  
749 CH3CH2Cl Ethyl chloride c2h5cl  
750 CH3SiFH2 fluoromethylsilane ch3sifh2  
751 KrF2 Krypton difluoride krf2  
752 B4H10 Tetraborane(10) b4h10  
753 C4+ Carbon tetramer cation c4+  
754 C4H2 Diacetylene c4h2  
755 C2H3CCH 1-Buten-3-yne c2h3cch  
756 C4H4 cyclobutadiene cbd  
757 H2CCCCH2 Butatriene h2cccch2  
758 C4H6 Cyclobutene c822355  
759 C4H6 Methylenecyclopropane c6142730  
760 CH2CCHCH3 1,2-Butadiene butad12  
761 CH2CHCHCH2 1,3-Butadiene c106990  
762 CH3CCCH3 2-Butyne c503173  
763 CHCCH2CH3 1-Butyne c107006  
764 CH3CHCHCH2 methylallyl radical c4h7  
765 C4H8 methylcyclopropane mcp  
766 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
767 CH3CHCHCH3 2-Butene, (E)- bute2e  
768 CH3CHCHCH3 2-Butene, (Z)- bute2z  
769 B(CH3)3 trimethylborane bme3  
770 Al(CH3)3 trimethyl aluminum tma  
771 C(CH3)3 Tert-butyl radical tbutyl  
772 CH2CH(CH3)2 Isobutyl radical isobutyl  
773 CH3CHCH2CH3 2-Butyl radical butyl2  
774 CH3CH(CH3)CH3 Isobutane isobutane  
775 SiH(CH3)3 trimethylsilane trimsi  
776 Li3N trilithium nitride li3n  
777 C2N2 Cyanogen c2n2  
778 C2N2+ Cyanogen cation c2n2+  
779 P4 Phosphorus tetramer p4  
780 HCCCN Cyanoacetylene hcccn  
781 HCCCN+ Cyanoacetylene cation hcccn+  
782 C3H3N acrylonitrile ch2chcn  
783 C3H3N+ acrylonitrile cation ch2chcn+  
784 CH3N3 methyl azide ch3n3  
785 NH2CCNH2 Diaminoacetylene daa  
786 NH2CH2CN Aminoacetonitrile aan  
787 CH3NHN2+ methyl azide, protonated ch3nhn2+  
788 CH5N3 Guanidine guanidine  
789 C4H6 Bicyclo[1.1.0]butane c157335  
790 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
791 CH6N3+ guanidinium ch6n3+  
792 C3H7N Cyclopropylamine cpram  
793 CH7N3 triaminomethane tam  
794 C3H7N Azetidine azet  
795 C4H8 cyclobutane cbutane  
796 C2H8N2 Ethylenediamine ethdiam  
797 CH3NHNHCH3 dimethyl hydrazine dmh  
798 CH3CH(NH2)CH3 2-Propanamine pram2  
799 N(CH3)3 Trimethylamine trimeam  
800 NH2CH2CH2CH3 1-Propanamine pram1  
801 P(CH3)3 trimethylphosphine tmp  
802 As(CH3)3 trimethyl arsine tmas  
803 (CH3)3NH+ protonated trimethyl amine ptma  
804 C3H7NH3+ n-propylamine, protonated c3h7nh2  
805 Li2O2 dilithium dioxide li2o2  
806 C3O Tricarbon monoxide c3o  
807 B2O2 Diboron dioxide b2o2  
808 S2N2 Disulfur dinitride s2n2  
809 CO3 Carbon trioxide co3  
810 CO3-- carbonate co3--  
811 NO3 Nitrogen trioxide no3  
812 NO3- nitrate anion no3-  
813 NO3+ nitrogen trioxide cation no3+  
814 SO3- Sulfur trioxide anion so3-  
815 SO3+ Sulfur trioxide cation so3+  
816 SeO3 selenium trioxide seo3  
817 HCO3- bicarbonate anion hco3-  
818 HSO3 Hydroxysulfonyl radical hso3  
819 NH2NO2 nitramide nh2no2  
820 C2H2CO cyclopropenone c2h2co  
821 HCCCHO 2-propynal hcccho  
822 C2H2O2+ Ethanedial cation c2h2o2+  
823 H2CO3 Carbonic acid h2co3  
824 H2CS3 thiocarbonic acid h2cs3  
825 H2NO3+ Nitric Acid, Protonated h2no3+  
826 H2SO3 Sulfurous acid h2so3  
827 CH3COO- acetate anion ch3coo-  
828 CH3ONO Methyl nitrite ch3ono  
829 NH2COOH Carbamic acid nh2cooh  
830 H3BO3 Boric acid h3bo3  
831 H3CO3+ carbonic acid, protonated h3co3+  
832 C3H4O 2-Propyn-1-ol c107197  
833 C3H4O allenol c9000071  
834 C3H4O Cyclopropanone cpone  
835 C3H4O Methylketene c6004440  
836 NH2CONH2 Urea urea  
837 NH2CONH2+ Urea cation urea+  
838 NH2CSNH2 Thiourea thiourea  
839 C2H4O2 1,3-dioxetane c2h4o2  
840 CH3COOH Acetic acid ch3cooh  
841 CH3OCHO methyl formate ch3ocho  
842 CHOCH2OH hydroxy acetaldehyde haa  
843 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
844 NH3COOH+ protonated Carbamic acid nh3cooh+  
845 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
846 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
847 HCOOHH2O Formic acid water dimer hcoohh2o  
848 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
849 CH3COCH2 Acetonyl radical ch3coch2  
850 CH3CHNOH Acetaldoxime acetaldoxime  
851 CH3CONH2 Acetamide acetamide  
852 HCONHCH3 N-methylformamide nmfa  
853 CH5N2O+ urea, N-protonated ch4n2o+  
854 H2NCOHNH2+ urea, protonated ureah+  
855 C2H5OO ethylperoxy radical c2h5oo  
856 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
857 C3H5OH Cyclopropanol cproh  
858 C3H6O 2-Propen-1-ol c107186  
859 C3H6O Acetone enol enol  
860 C3H6O Oxetane oxetane  
861 C3H6O Propylene oxide prox  
862 CH3COCH3- acetone anion ch3coch3-  
863 C3H6S Thietane thietane  
864 C3H6S Thiirane, methyl- methiirane  
865 CH3CSCH3 Thioacetone ch3csch3  
866 C2H6O2 1,2-Ethanediol ethdiol  
867 CH3OOCH3 dimethylperoxide dmp  
868 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
869 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
870 CH3COHCH3+ acetone, protonated acetoneh+  
871 HOCH2CH2NH2 monoethanolamine mea  
872 CH3CHOHCH3 Isopropyl alcohol isoproh  
873 CH3OC2H5 Ethane, methoxy- etome  
874 C3H7SH 1-Propanethiol prsh  
875 CH3CHSHCH3 2-Propanethiol isoprsh  
876 CH3SCH2CH3 Ethane, (methylthio)- etsme  
877 H2OCH3OCH3 water dimethylether dimer h2och3och3  
878 Na2F2 Sodium Fluoride Dimer na2f2  
879 Na2Cl2 Disodium dichloride na2cl2  
880 C2F2 difluoroacetylene c2f2  
881 C2Cl2 dichloroacetylene c2cl2  
882 C2Cl2+ dichloroacetylene cation c2cl2+  
883 FNO2 Nitryl fluoride fno2  
884 FONO Nitrosyl hypofluorite fono  
885 ClNO2 Nitryl chloride clno2  
886 ClONO chlorine nitrite clono  
887 BrONO Bromine nitrite brono  
888 N2F2 (Z)-Difluorodiazene n2f2_z  
889 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
890 COFCl Carbonic chloride fluoride cofcl  
891 CCl2O Phosgene cl2co  
892 Cl2CS Thiophosgene cl2cs  
893 COBr2 Carbonic dibromide cobr2  
894 BF3 Borane, trifluoro- bf3  
895 BF3- Borane, trifluoro- anion bf3-  
896 AlF3 Aluminum trifluoride alf3  
897 AlF2Cl Aluminum chloride difluoride alclf2  
898 ScF3 Scandium trifluoride ScF3  
899 AlFCl2 Aluminum dichloride fluoride alcl2f  
900 AlCl3 Aluminum trichloride alcl3  
901 BBr3 Boron tribromide bbr3  
902 AlBr3 Aluminum Bromide albr3  
903 ClO3 Chlorine trioxide clo3  
904 ClO3- chlorate anion clo3-  
905 BrO3- Bromate anion bro3-  
906 CF3 Trifluoromethyl radical cf3  
907 CF3- Trifluoromethyl anion cf3-  
908 CF3+ Trifluoromethyl cation cf3+  
909 SiF3 Silicon trifluoride radical sif3  
910 SiF3+ Silicon trifluoride cation sif3+  
911 CCl3 Trichloromethyl radical ccl3  
912 CCl3- Trichloromethyl anion ccl3-  
913 CCl3+ Trichloromethyl cation ccl3+  
914 SiCl3 trichlorosilyl radical sicl3  
915 SiCl3+ trichlorosilyl cation sicl3+  
916 FOOF Perfluoroperoxide foof  
917 ClO2F Chloryl fluoride clo2f  
918 F2SO Thionyl Fluoride f2so  
919 ClOOCl Dichlorine dioxide cloocl  
920 FSSF Difluorodisulfane fssf  
921 S2F2 Thio-thionyl fluoride s2f2  
922 SOCl2 thionyl chloride socl2  
923 SeOCl2 selenium oxychloride seocl2  
924 NF3- Nitrogen trifluoride anion nf3-  
925 NF3+ Nitrogen trifluoride cation nf3+  
926 PF3 Phosphorus trifluoride pf3  
927 AsF3 Arsenic trifluoride asf3  
928 PCl3 Phosphorus trichloride pcl3  
929 AsCl3 Arsenous trichloride ascl3  
930 PBr3 Phosphorus tribromide pbr3  
931 AsBr3 Arsenic tribromide asbr3  
932 ClSSCl Disulfur dichloride s2cl2  
933 SF3 Sulfur trifluoride sf3  
934 ClF3 Chlorine trifluoride clf3  
935 BrF3 Bromine trifluoride brf3  
936 CHF2Cl difluorochloromethane chf2cl  
937 CHFCl2 fluorodichloromethane chfcl2  
938 CDCl3 trichloromethane-d cdcl3  
939 SiHCl3 Trichlorosilane sihcl3  
940 CHCl2I dichloroiodomethane chcl2i  
941 CHClBr2 Methane, dibromochloro- chclbr2  
942 CHBr3 bromoform chbr3  
943 CHI3 Iodoform chi3  
944 NF3H+ protonated nitrogen trifluoride nf3h+  
945 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
946 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
947 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
948 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
949 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
950 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
951 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
952 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
953 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
954 C2H2Br2 1,1-dibromoethene c2h2br2  
955 CH2FCHO Fluoroacetaldehyde ch2fcho  
956 CH3COF Acetyl fluoride ch3cof  
957 CH2ClCHO chloroacetaldehyde ch2clcho  
958 CH3COCl Acetyl Chloride ch3cocl  
959 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
960 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
961 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
962 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
963 CH2CFCH3 2-fluoropropene 2fpro  
964 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
965 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
966 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
967 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
968 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
969 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
970 CH3CH2CH2Br n-propyl bromide prbr  
971 CH3CHBrCH3 i-propyl bromide iprbr  
972 C3H9O+ trimethyl oxonium cation c3h9o+  
973 C5H5 cyclopentadienyl radical c5h5  
974 C5H5- cylopentadienyl anion c5h5-  
975 C5H6 1,3-Cyclopentadiene c542927  
976 C5H6 1-Buten-3-yne, 2-methyl- c78808  
977 C5H6 3-Penten-1-yne, (E)- c2004695  
978 C5H6 3-Penten-1-yne, (Z)- c1574409  
979 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
980 C5H6 Cyclopropylacetylene c6746947  
981 C5H6 Propellane propellane  
982 C5H7 1,3-pentadienyl radical pdyl  
983 C5H7 cyclopentenyl radical cpyl  
984 C5H8 1,2-Butadiene, 3-methyl- c598254  
985 C5H8 1,2-Pentadiene c591957  
986 C5H8 1,3-Butadiene, 2-methyl- c78795  
987 C5H8 1,3-Pentadiene, (E)- c2004708  
988 C5H8 1,3-Pentadiene, (Z)- c1574410  
989 C5H8 1,4-Pentadiene c591935  
990 C5H8 1-pentyne a1pentyne  
991 C5H8 2,3-Pentadiene c591968  
992 C5H8 Cyclobutane, methylene- c1120565  
993 C5H8 Cyclopentene c142290  
994 C5H8 Ethenylcyclopropane c693867  
995 CH3CCCH2CH3 2-Pentyne 2pentyne  
996 C5H10 1-Butene, 2-methyl- c563462  
997 C5H10 2-Butene, 2-methyl- c513359  
998 C5H10 2-Pentene, (E)- c646048  
999 C5H10 2-Pentene, (Z)- c627203  
1000 C5H10 Cyclopentane c287923  
1001 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1002 CH2CHCH2CH2CH3 1-pentene pentene  
1003 C5H11 2-Methylbut-2-yl radical c4348350  
1004 C5H12 Butane, 2-methyl- buta2  
1005 C5H12 Pentane pentane  
1006 C5H12 Propane, 2,2-dimethyl- neopentane  
1007 Si(CH3)4 tetramethylsilane tms  
1008 N2O3 Dinitrogen trioxide n2o3  
1009 C3H2N2 Malononitrile c3h2n2  
1010 CH2N4 1H-Tetrazole 1htz  
1011 C3H3N2 imidazolyl radical im  
1012 C3H3N2- imidizolyl anion im-  
1013 C2H3N3 1H-1,2,4-Triazole c288880  
1014 C4H4N pyrrolide radical c4h4n  
1015 C4H4N- pyrrolide anion c4h4n-  
1016 C3H4N2 1H-Imidazole 1himidaz  
1017 C3H4N2 1H-Pyrazole 1hpyraz  
1018 C3H4N2 2H-Imidazole imid2h  
1019 C3H4N2 4H-Imidazole imid4h  
1020 C4H5N (E)-2-Butenenitrile c627269  
1021 C4H5N (Z)-2-Butenenitrile c1190767  
1022 C4H5N 2H-pyrrole pyrrole2  
1023 C4H5N 3H-pyrrole pyrrole3  
1024 C4H5N Cyclopropanecarbonitrile c5500210  
1025 CH2CHCH2CN Allylcyanide ch2chch2cn  
1026 C4H6N+ pyrrole, alpha-protonated appyr  
1027 C4H6N+ pyrrole, beta-protonated bppyr  
1028 C4H6N+ pyrrole, protonated ppyr  
1029 C3H6N2 3-Aminopropionitrile c151188  
1030 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1031 CH3CH2CH2CN Butanenitrile c109740  
1032 C5H8 Bicyclo[2.1.0]pentane c185944  
1033 C5H8 Spiropentane c157404  
1034 C4H9N Cyclobutylamine cbam  
1035 C4H9N Pyrrolidine pyrrolidine  
1036 C3H10N2 1,2-Diaminopropane diampr12  
1037 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1038 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1039 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1040 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1041 NH(C2H5)2 diethylamine dea  
1042 NC4H12+ tetramethyl ammonium cation nc4h12+  
1043 C3O2+ Carbon suboxide cation c3o2+  
1044 MgCO3 Magnesium Carbonate mgco3  
1045 BeCO3 Beryllium Carbonate beco3  
1046 CaCO3 Calcium Carbonate caco3  
1047 ONONO Nitrosyl nitrite onono  
1048 PO4--- phosphate po4---  
1049 SO4-- sulfate so4--  
1050 HOONO2 peroxy nitric acid hoono2  
1051 HSO4- bisulfate anion hso4-  
1052 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1053 C3H2O2 Propiolic acid c3h2o2  
1054 CHOCOOH oxo acetic acid oaa  
1055 H2SO4 Sulfuric acid h2so4  
1056 H2SeO4 Selenic acid h2seo4  
1057 C3H3NO Oxazole oxazole  
1058 CH3C(O)OO acetyl peroxy radical ch3coo2  
1059 CH3NO3 Methyl nitrate ch3no3  
1060 H3PO4 Phosphoric Acid h3po4  
1061 C4H4O+ Furan cation furan+  
1062 CH3COCCH 3-butyn-2-one c1423605  
1063 C4H4S Thiophene furans  
1064 C3H4O2 β–Propiolactone beta  
1065 C3H4O2 2-Propenoic acid propenoic2  
1066 C3H4O2 Methyl glyoxal megly  
1067 C3H4O2 propanedial propanedial  
1068 C3H4O2 propenalol propenalol  
1069 HOCHCCHOH allenediol aldiol  
1070 C2H4O3 1,2,3-trioxolane c2h4o3  
1071 C2H4O3 trioxolane124 triox  
1072 HOCH2COOH Hydroxyacetic acid hac  
1073 CH2CHCONH2 Acrylamide c79061  
1074 CH3OCH2CN Methoxyacetonitrile c1738369  
1075 CH5N3S Hydrazinecarbothioamide c79196  
1076 H2NCH2COOH Glycine glycine  
1077 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1078 C4H6O cis-2-butenal butenal2c  
1079 C4H6O Cyclobutanone cbutone  
1080 C4H6O Furan, 2,3-dihydro- furan23h  
1081 C4H6O Furan, 2,5-dihydro- furan25h  
1082 CH2CHOCHCH2 Vinyl ether vinylether  
1083 CHOCHCHCH3 2-Butenal butenal2  
1084 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1085 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1086 CH2CHSCHCH2 Divinyl sulfide divis  
1087 C2H6N2O Urea, methyl- c598505  
1088 C3H6O2 1,3-Dioxolane dioxolane  
1089 CH3CH2COOH Propanoic Acid propanoic  
1090 CH3COOCH3 methyl acetate aame  
1091 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1092 C3H7NO dimethylformamide dmf  
1093 C3H7NO Propanamide propanam  
1094 C2H3OC2H5 Ethene, ethoxy- c109922  
1095 C4H8O Cyclobutanol c2919235  
1096 C4H8O Furan, tetrahydro- thf  
1097 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1098 CH3COCH2CH3 2-Butanone buta2one  
1099 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1100 CHOCH2CH2CH3 Butanal butanal  
1101 C3H8O2 1,3-Propanediol c504632  
1102 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1103 C3H8O2 Methane, dimethoxy- c109875  
1104 C3H8O2 Propylene glycol c57556  
1105 C3H8S2 1,3-Propanedithiol c109808  
1106 C4H10O 1-Butanol butanol1  
1107 C4H10O 1-Propanol, 2-methyl- c78831  
1108 C4H10O 2-Butanol, (.+/-.)- butanol2  
1109 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1110 C4H10O Propane, 2-methoxy- c598538  
1111 C4H10O+ 1-Butanol cation butanol1+  
1112 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1113 C2H5SC2H5 Diethyl sulfide etset  
1114 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1115 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1116 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1117 FNO3 Fluorine nitrate fno3  
1118 ClONO2 Chlorine nitrate clono2  
1119 BrONO2 Bromine nitrate brono2  
1120 TiCl4 Titanium tetrachloride ticl4  
1121 ClO4- perchlorate anion clo4-  
1122 BF4- tetrafluoroboron anion bf4-  
1123 ClFO3 Perchloryl fluoride clfo3  
1124 SO2F2 Sulfuryl fluoride so2f2  
1125 SO2Cl2 Sulfuryl chloride so2cl2  
1126 F3NO Nitrogen trifluoride oxide f3no  
1127 F3PO Phosphoryl fluoride pf3o  
1128 Cl3PO Phosphoryl chloride pcl3o  
1129 CF4 Carbon tetrafluoride cf4  
1130 SiF4 Silicon tetrafluoride sif4  
1131 TiF4 Titanium tetrafluoride tif4  
1132 CFCl3 Trichloromonofluoromethane cfcl3  
1133 CCl4+ Carbon tetrachloride cation ccl4+  
1134 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1135 SiCl4 Silane, tetrachloro- sicl4  
1136 CF3I trifluoroiodomethane cf3i  
1137 CBrCl3 Methane, bromotrichloro- cbrcl3  
1138 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1139 GeCl4 Germanium Tetrachloride gecl4  
1140 CFBr3 fluorotribromomethane cfbr3  
1141 SiBr4 Silicon tetrabromide sibr4  
1142 CBr3I tribromoiododmethane cbr3i  
1143 ClOF3 Chlorine trifluoride oxide clof3  
1144 C2HF3 Trifluoroethylene c2hf3  
1145 C2HF3+ Trifluoroethylene cation c2hf3+  
1146 CHClCCl2 Trichloroethylene chclccl2  
1147 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1148 HClO4 perchloric acid hclo4  
1149 HSO3F Fluorosulfonic acid hso3f  
1150 CF3OH trifluoromethanol cf3oh  
1151 CHClCCHCl 1,3-dichloroallene chclcchcl  
1152 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1153 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1154 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1155 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1156 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1157 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1158 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1159 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1160 NH3BCl3 Amminetrichloroboron nh3bcl3  
1161 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1162 C3H5ClO Oxirane, (chloromethyl)- c106898  
1163 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1164 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1165 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1166 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1167 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1168 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1169 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1170 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1171 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1172 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1173 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1174 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1175 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1176 C4H9F 1-fluorobutane butaf1  
1177 CH3CHFCH2CH3 2-fluorobutane butaf2  
1178 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1179 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1180 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1181 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1182 NH3BF3 Amminetrifluoroboron nh3bf3  
1183 C6H2 hexatriyne c6h2  
1184 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1185 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1186 C6H4 Benzyne benzyne  
1187 C6H5 phenyl phenyl  
1188 C6H5- phenyl anion phenyl-  
1189 C6H6 2,4-Hexadiyne hexadiyne  
1190 C6H6 3,4-Dimethylenecyclobutene cb34m  
1191 C6H6 Benzvalene bv  
1192 C6H6 Hexa-1,5-diene-3-yne hdy153  
1193 C6H6 Trimethylenecycopropane tmcp  
1194 C6H6+ Benzene cation c6h6+  
1195 C6H7+ benzene, protonated c6h7+  
1196 C6H8 (E)-hexa-1,3,5-triene c821078  
1197 C6H8 (E)-hexa-2,3,4-triene c59660650  
1198 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1199 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1200 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1201 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1202 C6H8 3-Methylenecyclopentene c930267  
1203 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1204 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1205 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1206 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1207 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1208 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1209 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1210 C6H10 1,5-Hexadiene c592427  
1211 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1212 C6H10 1-Hexyne hexyne1  
1213 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1214 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1215 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1216 C6H10 2-Hexyne c764352  
1217 C6H10 3-Hexyne hexyne3  
1218 C6H10 cyclohexene cyclohexene  
1219 C6H10 Cyclopentene, 1-methyl- c693890  
1220 C6H10 Cyclopentene, 3-methyl- c1120623  
1221 C6H10 Cyclopentene, 4-methyl- c1759815  
1222 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1223 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1224 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1225 C6H12 (E)-2-Hexene e2hexene  
1226 C6H12 (E)-3-methylpent-2-ene c616126  
1227 C6H12 (E)-hex-3-ene e3hexene  
1228 C6H12 (Z)-3-methylpent-2-ene c922623  
1229 C6H12 (Z)-hex-2-ene z2hexene  
1230 C6H12 (Z)-hex-3-ene z3hexene  
1231 C6H12 2,3-dimethylbut-1-ene c563780  
1232 C6H12 2,3-dimethyl-but-2-ene tmeet  
1233 C6H12 3-methylenepentane c760214  
1234 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1235 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1236 C6H12 Cyclohexane cyclohexane  
1237 C6H12 Cyclopentane, methyl- c96377  
1238 C6H12 Ethylcyclobutane c4806615  
1239 C6H12 hex-1-ene hexene1  
1240 C6H14 Butane, 2,2-dimethyl- buta22  
1241 C6H14 Butane, 2,3-dimethyl- buta23  
1242 C6H14 Hexane hexane  
1243 C6H14 Pentane, 2-methyl- penta2  
1244 C6H14 Pentane, 3-methyl- penta3  
1245 C4N2 2-Butynedinitrile c4n2  
1246 C4H2N2 Fumaronitrile c4h2n2  
1247 C2H2N4 sym-tetrazine ttz  
1248 C3H3N3 1,3,5-Triazine triazine135  
1249 CH3N5 5-Aminotetrazole c4418615  
1250 C4H4N2 1,3-Diazine diazine13  
1251 C4H4N2 Pyrazine pyrazine  
1252 C4H4N2 Pyridazine pyridazine  
1253 C4H4N2 Succinonitrile c110612  
1254 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1255 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1256 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1257 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1258 C5H5N E-2,4-pentadienenitrile bdcn  
1259 C5H5N Pyridine pyridine  
1260 B3N3H6 borazine borazine  
1261 C6H6 Fulvene fulvene  
1262 C5H6N+ Pyridinium c5h6n  
1263 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1264 C5H7N (E)-2-Pentenenitrile c26294984  
1265 C5H7N (E)-3-Pentenenitrile c16529661  
1266 C5H7N (Z)-2-Pentenenitrile c25899507  
1267 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1268 C5H7N Cyclobutanecarbonitrile c4426113  
1269 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1270 C5H9N Butanenitrile, 2-methyl- c18936179  
1271 C5H9N Pentanenitrile c110598  
1272 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1273 C6H10 Bicyclo[3.1.0]hexane c285585  
1274 C5H11N Cyclopentanamine cypentam  
1275 C5H11N Piperidine piper  
1276 C4H12N2 1,2-Butanediamine c4426486  
1277 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1278 Li2CO3 Lithium Carbonate li2co3  
1279 Na2CO3 Sodium Carbonate na2co3  
1280 C2O4-- oxalate anion c2o4  
1281 MgSO4 Magnesium Sulfate mgso4  
1282 C2H2O4 Oxalic Acid oxalic  
1283 C2H3NO3 Oxamic acid oxamic  
1284 C4H4O2 2(5H)-Furanone furanone  
1285 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1286 C2H4N2O2 Oxalamide oxalamide  
1287 C2H4N2S2 Ethanedithioamide c79403  
1288 C2H4CO3 Ethylene carbonate etco3  
1289 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1290 C3H4S3 1,3-Dithiolane-2-thione c822388  
1291 C2H4O4 Formic acid dimer fadimer  
1292 C4H5NO 3-Methylisoxazole isox3m  
1293 C4H5NO Isoxazole, 5-methyl- c5765446  
1294 C4H5NS 4-Methylthiazole c693958  
1295 C2H5NO3 Nitric acid, ethyl ester c625581  
1296 C5H6O 2H-Pyran pyran2  
1297 C5H6O 2-methylfuran furan2m  
1298 C5H6O 3-Methylfuran furan3m  
1299 C5H6O Pentadienal pdal  
1300 C5H6S Thiophene, 2-methyl- c554143  
1301 C5H6S Thiophene, 3-methyl- c616444  
1302 C4H6O2 2,3-Butanedione c431038  
1303 C4H6O2 2-Propenoic acid, methyl ester c96333  
1304 C4H6O2 Crotonic Acid crot  
1305 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1306 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1307 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1308 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1309 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1310 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1311 C4H6OS Vinyl sulfoxide c1115157  
1312 CH6N4S Carbonothioic dihydrazide thiacarb  
1313 C2H6N2O2 (E)-Azodioxymethane c37765154  
1314 C2H6N2O2 Dimethylnitroamine c4164287  
1315 C3H6S3 1,3,5-Trithiane c3h6s3  
1316 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1317 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1318 C4H7NO 2-Pyrrolidinone c616455  
1319 C4H7NO Ethoxyacetonitrile etoaccn  
1320 C4H7NO Methacrylamide c79390  
1321 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1322 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1323 C3H7ONO Propyl nitrite prono  
1324 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1325 CH3CH(NH2)COOH Alanine alanine  
1326 CH3NHCH2COOH Sarcosine sarcosine  
1327 NH2CH2CH2COOH β–alanine betaalanine  
1328 NH2COOC2H5 Urethane urethane  
1329 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1330 C5H8O Cyclopentanone c120923  
1331 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1332 C5H8O Methyl cyclopropyl ketone c765435  
1333 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1334 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1335 NH2CONHC2H5 Urea, ethyl- c625525  
1336 C4H8O2 1,3-Dioxane dioxan13  
1337 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1338 C4H8O2 1,4-Dioxane dioxan14  
1339 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1340 C4H8OS s-Ethyl thioacetate c625605  
1341 C3H8O3 1,2,3-Propanetriol glycerin  
1342 C3H8O2S (Methylsulfonyl)ethane c594434  
1343 C4H9NO Butanamide c541355  
1344 C4H9NO Propanamide, 2-methyl- c563837  
1345 C5H10O 2-Butanone, 3-methyl- c563804  
1346 C5H10O 2H-Pyran, tetrahydro- c142687  
1347 C5H10O 2-methylbutyraldehyde 2meba  
1348 C5H10O 2-Pentanone mpk  
1349 C5H10O Cyclopentanol c96413  
1350 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1351 C5H10O Pentanal pal  
1352 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1353 C5H10S 3-Ethylthio-1-propene c5296628  
1354 C5H10S Cyclopentanethiol c1679078  
1355 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1356 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1357 C4H10O2 1,1-Dimethoxyethane c534156  
1358 C4H10O2 1,3-Butanediol budiol13  
1359 C4H10O2 1,4-Butanediol budiol14  
1360 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1361 C4H10OS Diethyl sulfoxide c70291  
1362 C4H10S2 1,4-Butanedithiol budisl14  
1363 C4H11NO Diethylhydroxylamine c3710847  
1364 C5H12O 1-Butanol, 2-methyl- c137326  
1365 C5H12O 1-Butanol, 3-methyl- c123513  
1366 C5H12O 1-Pentanol pentanol1  
1367 C5H12O 2-Butanol, 3-methyl- c598754  
1368 C5H12O 2-Pentanol peol2  
1369 C5H12O 3-Pentanol pentan3ol  
1370 C5H12O Butane, 1-methoxy- meobu  
1371 C5H12O Propane, 1-ethoxy- proet  
1372 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1373 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1374 C5H12S 1-Butanethiol, 3-methyl- c541311  
1375 C5H12S 1-Pentanethiol c110667  
1376 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1377 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1378 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1379 C5H12S Butane, 1-(methylthio)- c628295  
1380 C5H12S Ethyl propyl sulfide c4110503  
1381 C5H12S Propane, 2-(ethylthio)- c5145993  
1382 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1383 ClCOClCO Oxalyl chloride oxcl  
1384 CF3CN Acetonitrile, trifluoro- cf3cn  
1385 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1386 B2F4 Diboron tetrafluoride b2f4  
1387 B2Cl4 Diboron tetrachloride b2cl4  
1388 C2F4 Tetrafluoroethylene c2f4  
1389 C2F4+ Tetrafluoroethylene cation c2f4+  
1390 CF2CCl2 difluorodichloroethylene cf2ccl2  
1391 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1392 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1393 C2FCl3 fluorotrichloroethene c2fcl3  
1394 C2Cl4 Tetrachloroethylene c2cl4  
1395 CF3OF Trifluoromethylhypofluorite cf3of  
1396 SOF4 Sulfur tetrafluoride oxide sof4  
1397 AsF5 Arsenic pentafluoride asf5  
1398 PCl5 Phosphorus pentachloride pcl5  
1399 SF5 Sulfur pentafluoride sf5  
1400 SF5+ pentafluoro sulfur cation sf5+  
1401 SbCl5 Antimony pentachloride sbcl5  
1402 BrF5 bromine pentafluoride brf5  
1403 ClF5 chlorinepentafluoride clf5  
1404 CF3CHO trifluoroacetaldehyde cf3cho  
1405 CCl3CHO trichloroacetaldehyde ccl3cho  
1406 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1407 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1408 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1409 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1410 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1411 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1412 CF3COOH trifluoroacetic acid cf3cooh  
1413 C4H3ClO Furan, 2-chloro fur2cl  
1414 C4H3ClO Furan,3-chloro fur3cl  
1415 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1416 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1417 C4H8Cl2 1,4-Dichlorobutane c110565  
1418 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1419 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1420 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1421 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1422 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1423 C5H11Cl Pentane, 1-chloro- pencl1  
1424 C4H8O2 Butanoic acid bua  
1425 C6H5CH2 benzyl radical benzyl  
1426 C7H7 cycloheptatrienyl radical c7h7  
1427 C7H7+ cycloheptatrienyl cation c7h7+  
1428 C6H5CH3 toluene toluene  
1429 C7H8 cycloheptatriene cht  
1430 C7H8 Norbornadiene norbor  
1431 C7H8 Quadricyclane qucy  
1432 C7H12 Norbornane nor  
1433 C7H14 cycloheptane c7h14  
1434 C7H16 2-methylhexane 2mhex  
1435 C7H16 3-methylhexane hex3m  
1436 C7H16 heptane heptane  
1437 C6H7N 2-Methylpyridine mp  
1438 C6H5NH2 aniline aniline  
1439 C6H13N 2-Methylpiperidine pip2m  
1440 C6H13N cyclohexanamine cham  
1441 C6H15N triethylamine tea  
1442 N2O5 Dinitrogen pentoxide n2o5  
1443 C4H2O3 Maleic Anhydride malan  
1444 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1445 C6H5O phenoxy radical phenoxy  
1446 C5H5NO 2(1H)-Pyridinone c72762006  
1447 C5H5NO 2(3H)-Pyridinone c9000048  
1448 C5H5NO 2(5H)-Pyridinone c9000037  
1449 C5H5NO 2-Pyridinol c109104  
1450 C5H5NO 3(2H)-Pyridinone c9000004  
1451 C5H5NO 3(4H)-Pyridinone c9000026  
1452 C5H5NO 3(6H)-Pyridinone c9000015  
1453 C5H5NO 3-Pyridinol c109002  
1454 C5H5NO 4(1H)-Pryidinone c9000060  
1455 C5H5NO 4(3H)-Pryidinone c9000059  
1456 C5H5NO 4-Pyridinol c626642  
1457 C6H5OH phenol phenol  
1458 C6H6O 2,4-Cyclohexadienone c24599573  
1459 C6H6O 2,5-Cyclohexadienone c5664335  
1460 C6H5SH Benzenethiol phsh  
1461 HO2CCHNH2CH2OH Serine serine  
1462 C5H8O2 Acetylacetone acac  
1463 C4H8O2S Sulfolane sulfolane  
1464 C7H10 Norbornene norbornene  
1465 CH(C2H3)3 trivinyl methane tvm  
1466 C6H10O cyclohexanone chexo  
1467 C6H12O hexanal c6h12o  
1468 C3H7OC3H7 di-n-propyl ether propr  
1469 CF3COO- trifluoro acetate anion cf3coo-  
1470 CF3COF trifluoroacetyl fluoride cf3cof  
1471 CF3COCl trifluoroacetyl chloride cf3cocl  
1472 PF6 Hexafluorophosphate neutral pf6  
1473 PF6- Hexafluorophosphate ion pf6-  
1474 SeF6 Selenium hexafluoride sef6  
1475 SF5Cl sulfur chloropentafluoride sf5cl  
1476 CF3CHF2 pentafluoroethane cf3chf2  
1477 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1478 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1479 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1480 CCl3CHCl2 pentachloroethane ccl3chcl2  
1481 C6H5F Fluorobenzene bzf  
1482 C6H5Cl chlorobenzene bzcl  
1483 C6H5Br bromobenzene bzbr  
1484 C8H6 Calicene calicene  
1485 C6H5CCH phenylacetylene phac  
1486 C8H6 benzocyclobutadiene bcbd  
1487 C8H6 Pentalene pentalene  
1488 C6H5CHCH2 Styrene styrene  
1489 C8H8 cyclooctatetraene cot  
1490 C6H5CH2CH3 Ethylbenzene etbz  
1491 CH3C6H4CH3 meta-xylene mxylene  
1492 CH3C6H4CH3 paraxylene pxylene  
1493 C8H14 Bicyclo[2.2.2]octane bico222  
1494 C8H16 cyclooctane cyclooct  
1495 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1496 C8H18 Octane c8h18  
1497 C6H5CN phenyl cyanide phcn  
1498 C6H12N2 Triethylenediamine ted  
1499 C4O4-- squarate dianion c4o4--  
1500 S4N4 Tetrasulfur tetranitride s4n4  
1501 S8 Octasulfur s8  
1502 C6H4O2 parabenzoquinone pbq  
1503 C4H4N2O2 Uracil uracil  
1504 C6H5OCH3 Anisole anisole  
1505 C5H9NO2 Proline proline  
1506 C6H12O2 Methyl pivalate c598981  
1507 C6H12O2 Hexanoic acid hexa  
1508 C4F4 tetrafluorcyclobutadiene c4f4  
1509 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1510 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1511 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1512 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1513 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1514 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1515 C2F6 hexafluoroethane c2f6  
1516 IF7 Iodine heptafluoride if7  
1517 C6H4F2 metadifluorobenzene mdfb  
1518 C6H4F2 orthodifluorobenzene odfb  
1519 C6H4Cl2 1,2-dichlorobenzene dcb12  
1520 C6H4Cl2 1,3-dichlorobenzene dcb13  
1521 C6H4Cl2 1,4-dichlorobenzene dcb14  
1522 C6H5NO nitrosobenzene bzno  
1523 C9H8 Indene indene  
1524 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1525 C9H12 n-propyl benzene prbz  
1526 C9H20 Nonane nonane  
1527 C(CN)4 tetracyanomethane c5n4  
1528 C5H4N4 purine purine  
1529 C8H7N Indole indole  
1530 C3H3N3O3 cyanuric acid cyanuric  
1531 C6H5NO2 Nitrobenzene c6h5no2  
1532 C6H5COOH benzoic acid benzo  
1533 CH3COC6H5 acetophenone acph  
1534 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1535 C6H3F3 Benzene trifluoride 123 bzf3a  
1536 C10H8 Azulene azu  
1537 C10H8 naphthalene naph  
1538 C10H16 adamantane adamantane  
1539 C6N4 Tetracyanoethylene tcne  
1540 C6N4- tetracyanoethylene anion tcne-  
1541 C10H22 Decane decane  
1542 C4F6 perfluorobutadiene c4f6  
1543 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1544 C3F8 perfluoropropane c3f8  
1545 Fe(CO)5 Iron pentacarbonyl ipc  
1546 Fe(C5H5)2 ferrocene fecp2  
1547 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1548 C12H8 Acenaphthylene acenaph  
1549 C12H8 biphenylene biph  
1550 C12H10 biphenyl biphenyl  
1551 C12H10 Heptalene heptalene  
1552 C6H12O6 Inositol inositol  
1553 C6F6 hexafluorobenzene c6f6  
1554 S2F10 disulphur decafluoride s2f10  
1555 C14H10 Anthracene anth  
1556 C14H10 Phenanthrene phenanthrene  
1557 C14H14 Bibenzyl bibenzyl  
1558 C12H10N2 azobenzene azobenzene  
1559 C6H5COC6H5 benzophenone benzophenone  
1560 C16H10 Pyrene pyrene  
1561 C18H12 Tetracene tetracene  
1562 C19H16 Triphenylmethane tpm  
1563 C24H12 Coronene coronene  
1564 C60 Buckminsterfullerene c60