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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at ROHF /cc-pVQZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 H2+ Hydrogen cation 2Σg+D∞h
5 He Helium atom   
6 He- Helium atom anion 2SKh
7 He+ Helium atom cation 2SKh
8 HeH+ Helium hydride cation 1ΣC∞v
9 He2+ helium diatomic cation 2ΣuD∞h
10 Li Lithium atom 2SKh
11 Li+ Lithium atom cation 1SKh
12 Na Sodium atom 2SKh
13 Na- Sodium atom anion 1SKh
14 LiH+ lithium hydride cation 2ΣC∞v
15 NaH+ sodium hydride cation 2ΣC∞v
16 Be+ Beryllium atom cation 2SKh
17 Mg- Magnesium atom anion 2PKh
18 Mg+ Magnesium atom cation 2SKh
19 BeH beryllium monohydride 2ΣC∞v
20 MgH magnesium monohydride 2ΣC∞v
21 CaH Calcium monohydride 2ΣC∞v
22 TiH Titanium monohydride 4ΦC∞v
23 BeH2+ Beryllium dihydride cation 2ΣC∞v
24 BeH2+ Beryllium dihydride cation 2ΣuD∞h
25 BeH2+ Beryllium dihydride cation   
26 B Boron atom 2PKh
27 B Boron atom 4PKh
28 B+ Boron atom cation 1SKh
29 Al Aluminum atom 2PKh
30 Al- Aluminum atom anion 3PKh
31 Al+ Aluminum atom cation 1SKh
32 Sc Scandium atom 2DKh
33 Sc+ Scandium cation 3DKh
34 Ga Gallium atom 2P 
35 Ga- Gallium atom anion 3POh
36 Ga+ Gallium atom cation 1S 
37 BH Boron monohydride 3ΠC∞v
38 BH- boron monohydride anion 4ΣC∞v
39 GaH+ Gallium monohydride cation 2ΣC∞v
40 BH2- boron dihydride anion 3B1C2v
41 AlH2- aluminum dihydride anion 1A1C2v
42 AlH2+ aluminum dihydride cation 1ΣgD∞h
43 BH3+ boron trihydride cation 2E'D3h
44 BH3+ boron trihydride cation 2B2C2v
45 BH3+ boron trihydride cation  C2v
46 AlH3- aluminum trihydride anion 2A2"D3h
47 AlH3- aluminum trihydride anion  C3v
48 AlH3+ aluminum trihydride cation 2ED3h
49 AlH3+ aluminum trihydride cation 2A1C2v
50 BH4 borohydride 2B2C2v
51 BH4- borohydride anion 1A1Td
52 C Carbon atom 3P0Kh
53 C- Carbon atom anion 2DKh
54 C+ Carbon atom cation 2PKh
55 Si Silicon atom 3PKh
56 Si- Silicon atom anion 4SKh
57 Si+ Silicon atom cation 2PKh
58 Ge Germanium atom 3PKh
59 Ge- Germanium anion 4SKh
60 Ge+ Germanium cation 2PKh
61 CH Methylidyne 2Π1/2C∞v
62 SiH Silylidyne 2ΠC∞v
63 SiH- silicon monohydride anion 3ΣC∞v
64 GeH germylidene 2ΠC∞v
65 CH2 Methylene 3B1C2v
66 CH2 Methylene 3ΣGD∞h
67 CH2- methylene anion 2B1C2v
68 CH2+ methylene cation 2A1C2v
69 CH2+ methylene cation 2ΠD∞h
70 SiH2 silicon dihydride 3B1C2v
71 SiH2- silicon dihydride anion 2B1C2v
72 SiH2+ silicon dihydride cation 2A1C2v
73 GeH2 germylene 1A1C2v
74 GeH2- germylene anion 2B1C2v
75 CH3 Methyl radical 2A1D3h
76 CH3- methyl anion 1A1C3v
77 CH3+ methyl cation 1A1'D3h
78 SiH3 Silyl radical 2A1C3v
79 SiH3- Silyl anion 1A1C3v
80 SiH3+ Silyl cation 1A1'D3h
81 GeH3 Germyl radical 2A1C3v
82 GeH3+ germyl cation 1A1'D3h
83 N Nitrogen atom 4SKh
84 N Nitrogen atom 2DKh
85 N- Nitrogen atom anion 3SKh
86 N+ Nitrogen atom cation 3PKh
87 P Phosphorus atom 4SKh
88 P- Phosphorus atom anion 3PKh
89 P+ Phosphorus atom cation 3PKh
90 V Vanadium atom 4FKh
91 V+ Vanadium atom cation 5DKh
92 As Arsenic atomic 4SKh
93 As- Arsenic anion 3PKh
94 As+ Arsenic cation 3PKh
95 PH phosphorus monohydride 3Σ-C∞v
96 AsH Arsenic monohydride 3ΣC∞v
97 AsH+ Arsenic monohydride cation 2ΠC∞v
98 NH2 Amino radical 2B1C2v
99 NH2+ Amino cation 3B1C2v
100 PH2- Phosphino anion 1A1C2v
101 PH2+ Phosphino cation 1A1C2v
102 AsH2 Arsenic dihydride 2A1C2v
103 NH3- Ammonia anion 2A1C3v
104 NH3+ ammonia cation 2A2"D3h
105 PH3+ Phosphine cation 2A1C3v
106 AsH3+ Arsine cation 2A1C3v
107 NH4 Ammonium radical   
108 PH4 Phosphoranyl radical   
109 O Oxygen atom 3SKh
110 O- Oxygen atom anion 2PKh
111 O+ Oxygen atom cation 4SKh
112 S Sulfur atom 3PKh
113 S- Sulfur atom anion 2PKh
114 S+ Sulfur atom cation 4SKh
115 Se Selenium atom 3PKh
116 Se- Selenium atom anion 2PKh
117 Se+ Selenium atom cation 4SKh
118 OH Hydroxyl radical 2ΠC∞v
119 OH+ hydoxyl cation 3ΣC∞v
120 HS Mercapto radical 2ΠC∞v
121 HS- mercapto anion 1ΣC∞v
122 HS+ sulfur monohydride cation 3ΣC∞v
123 CrH Chromium hydride 6ΣC∞v
124 CrH+ Chromium hydride cation 5ΣC∞v
125 HSe Selenium monohydride 2ΠC∞v
126 HSe+ selenium monohydride cation 3ΣC∞v
127 H2O- water anion 2A1C2v
128 H2O- water anion 2A'Cs
129 H2O+ water cation 2B1C2v
130 H2S- Hydrogen sulfide anion 2A'Cs
131 H2S+ Hydrogen sulfide cation 2B1C2v
132 H2Se Hydrogen selenide 1A1C2v
133 H2Se+ Hydrogen selenide cation 2B1C2v
134 H3S+ Sulfonium cation 1A1C3v
135 F Fluorine atom 2PKh
136 F- Fluorine atom anion 1SKh
137 F+ Fluorine atom cation 3SKh
138 F+ Fluorine atom cation 1DKh
139 Cl Chlorine atom 2PKh
140 Cl- Chlorine atom anion 1SKh
141 Cl+ Chlorine atom cation 3PKh
142 Cl+ Chlorine atom cation 1DKh
143 Br Bromine atom 2PKh
144 Br- Bromine atom anion 1SKh
145 Br+ Bromine atom cation 3PKh
146 HF- hydrogen fluoride anion 2ΣC∞v
147 HF+ hydrogen fluoride cation 2ΠC∞v
148 HCl- hydrogen chloride anion 2ΣC∞v
149 HCl+ hydrogen chloride cation 2ΠC∞v
150 HBr hydrogen bromide 1ΣC∞v
151 HBr- hydrogen bromide anion 2ΣC∞v
152 HBr+ hydrogen bromide cation 2ΠC∞v
153 H2Cl+ dihydrogen monochloride cation 1A1C2v
154 Ne Neon atom   
155 Ne- Neon atom anion 2SKh
156 Ne+ Neon atom cation 2PKh
157 Ar- Argon atom anion 2SKh
158 Ar+ Argon atom cation 2PKh
159 Kr+ Krypton cation 2PKh
160 NeH neon hydrogen 2ΣC∞v
161 Na2- sodium diatomic anion 2ΣuD∞h
162 Na2+ sodium diatomic cation 2ΣgD∞h
163 LiBe Lithium Beryllium 2ΣC∞v
164 LiMg Lithium magnesium 2ΣC∞v
165 NaBe Sodium Beryllium 2ΣC∞v
166 NaMg Sodium Magnesium 2ΣC∞v
167 Be2 Beryllium diatomic 3ΠgD∞h
168 Be2- Beryllium diatomic anion 2ΠuD∞h
169 LiB Lithium boride 3ΠC∞v
170 BeB Beryllium monoboride 2ΠC∞v
171 B2 Boron diatomic 3ΣgD∞h
172 B2+ Boron diatomic cation 2ΠD∞h
173 BAl Boron Aluminum 3ΣC∞v
174 BGa Boron Gallium 3ΣC∞v
175 AlGa Aluminum Gallium 3ΣC∞v
176 Ga2 Gallium diatomic 3Piu 
177 HBBH Diborane(2) 3ΣGD∞h
178 B2H6+ Diborane cation   
179 LiC Lithium Carbide 4ΣC∞v
180 BeC Beryllium Carbide 3Σ-C∞v
181 BeC Beryllium Carbide   
182 CaC Calcium monocarbide   
183 BC boron monocarbide 4Σ-C∞v
184 BC- boron monocarbide anion 3ΠuC∞v
185 AlC Aluminum carbide 4ΣC∞v
186 BSi Boron silicide 4ΣC∞v
187 BSi Boron silicide 2ΣC∞v
188 C2 Carbon diatomic 3Σg- 
189 C2+ carbon diatomic cation 4ΣgD∞h
190 SiC silicon monocarbide 3ΣC∞v
191 SiC- silicon monocarbide anion 2ΣgC∞v
192 SiC+ silicon monocarbide cation 2ΠC∞v
193 GeC Germanium monocarbide 1ΣC∞v
194 SiGe Silicon Germanium   
195 Ge2 Germanium diatomic 3ΣgD∞h
196 Ge2 Germanium diatomic 1ΣGD∞h
197 C2H Ethynyl radical 2ΣC∞v
198 C2H2+ acetylene cation 2ΠuD∞h
199 C2H2+ acetylene cation   
200 CCH2 vinylidene 3B2C2v
201 H2CC- vinylidene anion   
202 HCCH- acetylene anion   
203 HCCH- acetylene anion   
204 CH3Li methyl lithium 1A1C3v
205 C2H3 vinyl 2A'Cs
206 C2H3+ vinyl cation 1A1C2V bridging H
207 C2H4- Ethylene anion 2B2gD2h
208 C2H4- Ethylene anion 2AgC2h
209 C2H4+ Ethylene cation 2B3uD2h
210 C2H4+ Ethylene cation 2B3D2
211 C2H5 Ethyl radical 2A'Cs
212 C2H6+ ethane cation 2BgC2h
213 C2H6+ ethane cation 2AgCi
214 LiN Lithium Nitride 3ΣC∞v
215 LiN+ Lithium Nitride cation 4ΣC∞v
216 LiP Lithium monophosphide   
217 BeN Beryllium mononitride 4ΣC∞v
218 BeN Beryllium mononitride 2ΠC∞v
219 BeN- Beryllium mononitride anion 1ΣC∞v
220 BeN+ Beryllium mononitride cation 1ΣC∞v
221 MgN Magnesium Nitride   
222 MgN Magnesium Nitride   
223 BP Boron monophosphide 3ΠC∞v
224 AlP Aluminum monophosphide 3ΣC∞v
225 AlP Aluminum monophosphide 3ΠC∞v
226 GaN Gallium mononitride 3ΠC∞v
227 GaP Gallium monophosphide 3ΣC∞v
228 GaAs Gallium arsenide 3Π 
229 GaAs Gallium arsenide 1Σ 
230 BN boron nitride 3ΠC∞v
231 CN Cyano radical 2ΣC∞v
232 SiP Silicon monophosphide 2ΠC∞v
233 SiP- Silicon monophosphide anion 1ΣC∞v
234 SiP+ Silicon monophosphide cation 3ΣC∞v
235 N2 Nitrogen diatomic   
236 N2- nitrogen diatomic anion 2ΠgD∞h
237 N2+ diatomic nitrogen cation 2ΣgD∞h
238 HCN+ hydrogen cyanide cation 2ΠC∞v
239 HNC+ hydrogen isocyanide cation   
240 HCP+ Phosphaethyne cation   
241 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
242 CNH2 Aminomethylidyne radical 2B2C2v
243 H2CN Dihydrogen cyanide radical 2B2C2v
244 HCNH methyleneazane 2A'CS cis
245 HCNH methyleneazane 2A'CS trans
246 N2H2+ trans-diazene cation 2AGC2h
247 CH2NH+ Methanimine cation   
248 CHNH2+ Aminocarbene cation   
249 N2H4+ hydrazine cation 2AGC2h
250 CH3NH2+ methyl amine cation 2A'Cs
251 CH3NH3 methyl ammonium radical 2A1C3v
252 LiO lithium oxide 2ΣC∞v
253 LiO- lithium oxide anion 1ΣC∞v
254 LiO- lithium oxide anion 3ΣC∞v
255 LiO+ lithium oxide cation 3ΣC∞v
256 LiS Lithium monosulfide 2ΠC∞v
257 LiS+ Lithium sulfide cation 3ΣC∞v
258 NaO sodium monoxide 2ΣC∞v
259 NaS Sodium sulfide 2ΠC∞v
260 LiSe Lithium monoselenide   
261 BeO- Beryllium monoxide anion 2ΣC∞v
262 BeO+ Beryllium monoxide cation 2ΠC∞v
263 BO boron monoxide 2ΣC∞v
264 BO- boron monoxide anion 1ΣC∞v
265 ScO Scandium monoxide 2ΣC∞v
266 GaO Gallium monoxide 2ΣC∞v
267 GaS Gallium monosulfide   
268 CO Carbon monoxide 3ΠC∞v
269 CO- carbon monoxide anion 2ΠC∞v
270 CO+ carbon monoxide cation 2ΣC∞v
271 TiO Titanium monoxide 3ΔC∞v
272 GeO+ Germanium monoxide cation 2ΣC∞v
273 SiSe+ Silicon Monoselenide cation   
274 NO Nitric oxide 2ΠC∞v
275 NO- nitric oxide anion 3ΣC∞v
276 NS Mononitrogen monosulfide 2ΠC∞v
277 NS- nitrogen sulfide anion 3ΣC∞v
278 PO Phosphorus monoxide 2ΠC∞v
279 PS phosphorus sulfide 2ΣC∞v
280 VO Vanadium monoxide 4Σ- 
281 NSe Nitrogen monoselenide 2ΠC∞v
282 AsS Arsenic monosulfide 2ΠC∞v
283 PSe Phosphorus monoselenide 2ΠC∞v
284 AsSe Arsenic monoselenide 2ΠC∞v
285 O2 Oxygen diatomic 3ΣgD∞h
286 O2- oxygen diatomic anion 2ΠD∞h
287 O2+ diatomic oxygen cation 2ΠgD∞h
288 SO Sulfur monoxide 3ΣC∞v
289 SO Sulfur monoxide 1ΣC∞v
290 SO+ sulfur monoxide cation 2ΠC∞v
291 S2 Sulfur diatomic 3ΣgD∞h
292 SeO Selenium monoxide 3ΣC∞v
293 Se2 Selenium diatomic 3ΣgD∞h
294 BeOH beryllium monohydroxide 2A'Cs
295 COH Hydroxymethylidyne   
296 HCO Formyl radical 2A'Cs
297 HCO- formyl anion 1A'Cs
298 HCO+ Formyl cation 1ΣC∞v
299 HCS+ Thioformyl cation 1ΣC∞v
300 HNO Nitrosyl hydride 1A'Cs
301 HNO+ Nitrosyl hydride cation 2A'Cs
302 NOH Hydroxyimidogen 3A"Cs
303 NOH+ O-protonated nitric oxide 2A'Cs
304 HNS- Sulfur imide anion 2ACs
305 HO2 Hydroperoxy radical 2A"Cs
306 HO2- Hydroperoxy anion 1A'Cs
307 HO2+ Hydroperoxy cation 3A"Cs
308 HO2+ Hydroperoxy cation 1A'Cs
309 SOH Sulfur Hydroxide   
310 SOH+ Sulfur Monoxide, protonated   
311 HS2 Thiosulfeno radical 2A"Cs
312 H2CO- formaldehyde anion 2A'Cs
313 H2CO- formaldehyde anion   
314 H2CO+ formaldehyde cation 2B2C2v
315 H2CS- thioformaldehyde anion   
316 H2CS- thioformaldehyde anion   
317 H2CS+ thioformaldehyde cation 2B2C2v
318 H2NO nitroxide 2B1C2v
319 H2NO nitroxide 2A'Cs
320 H2O2+ Hydrogen peroxide cation 2BgC2h
321 H2O2+ Hydrogen peroxide cation 2A1C2v
322 H2S2+ hydrogen disulfide cation 2BgC2h
323 CH2OH Hydroxymethyl radical 2AC1
324 CH3O+ Methoxy cation 3A1C3v
325 NH2OH+ Hydroxylamine cation   
326 CH3OH Methyl alcohol 1A'Cs
327 CH3OH- Methyl alcohol anion 2A'Cs
328 CH3OH- Methyl alcohol anion 2A'CS eclipsed
329 CH3OH+ Methyl alcohol cation 2A"Cs
330 CH3SH+ Methanethiol cation 2A"Cs
331 NH2OH2+ protonated hydroxylamine   
332 NH3OH+ N-protonated hydroxylamine   
333 NaF+ sodium fluoride cation 2ΣC∞v
334 LiF- lithium fluoride anion 2ΣC∞v
335 LiF+ lithium fluoride cation 2ΠC∞v
336 BeF- Beryllium monofluoride anion 1ΣC∞v
337 BeF+ Beryllium monofluoride cation 1ΣC∞v
338 ZnF Zinc monofluoride 2ΣC∞v
339 CaBr Calcium monobromide   
340 GaF Gallium monofluoride 1ΣC∞v
341 GaF+ Gallium monofluoride cation 2ΣC∞v
342 GaCl Gallium monochloride 1ΣGC∞v
343 GaCl+ Gallium monochloride cation 2ΣC∞v
344 CF Fluoromethylidyne 2ΠC∞v
345 SiF silicon monofluoride 2ΠC∞v
346 SiF- silicon monofluoride anion 3ΣC∞v
347 SiCl Clorosilylidyne 2ΠC∞v
348 CBr Carbon monobromide 2ΠC∞v
349 GeF Germanium monofluoride 2ΠC∞v
350 GeCl Germanium monochloride 2ΠC∞v
351 SiBr Silicon monobromide 2ΠC∞v
352 SiBr+ Silicon monobromide cation   
353 NCl nitrogen monochloride 3ΣC∞v
354 NCl- nitrogen monochloride anion 2ΠC∞v
355 NCl+ nitrogen monochloride cation 2ΠC∞v
356 AsF Arsenic monofluoride 3ΣC∞v
357 NBr nitrogen monobromide 3Σ-C∞v
358 AsCl Arsenic monochloride 3ΣC∞v
359 PBr Phosphorus monobromide   
360 FO Oxygen monofluoride 2ΠC∞v
361 ClO Monochlorine monoxide 2ΠC∞v
362 ClO+ chlorine monoxide cation 3ΣC∞v
363 SF Monosulfur monofluoride 2ΠC∞v
364 SF+ sulfur monofluoride cation 3ΣC∞v
365 SCl sulfur monochloride 2ΠC∞v
366 SCl+ sulfur monochloride cation 3ΣgC∞v
367 BrO Bromine monoxide 2ΠC∞v
368 BrO+ Bromine monoxide cation   
369 SeF Selenium monofluoride 2ΠC∞v
370 SBr Sulfur monobromide radical   
371 SBr+ Sulfur monobromide cation   
372 SeCl Selenium monochloride 2ΠC∞v
373 SeBr Selenium monobromide   
374 F2- flourine diatomic anion 2ΣuD∞h
375 F2+ flourine diatomic cation 2ΠgD∞h
376 ClF Chlorine monofluoride 1Σ+C∞v
377 ClF+ clorine monofluoride cation 2ΠC∞v
378 Cl2- chlorine diatomic anion 2ΣuD∞h
379 Cl2+ chlorine diatomic cation 2ΠgD∞h
380 Br2- bromine diatomic anion 2ΣuD∞h
381 Br2+ bromine diatomic cation 2ΠgD∞h
382 HCF Fluoromethylene 3A"Cs
383 HCCl Chloromethylene 3A"Cs
384 CHBr bromomethylene 3A"Cs
385 HOCl+ hypochlorous acid cation   
386 HOBr+ Hypobromous acid cation 2A"Cs
387 FHF- Hydrogen difluoride anion 1ΣgD∞h
388 CH2Br bromomethyl radical   
389 CH2F fluoromethyl radical 2ACs
390 CH2Cl chloromethyl radical 2A'Cs
391 CH2Cl chloromethyl radical 2B1C2v
392 CH3F+ methyl fluoride cation   
393 CH3Cl+ Methyl chloride cation   
394 CH3Br methyl bromide 1A1C3v
395 Ne2+ Neon diatomic cation 2ΣuD∞h
396 Ar2+ Argon diatomic cation 2ΣuD∞h
397 Li3 Lithium trimer 2B2C2v
398 C3 carbon trimer 1A1C2v
399 C3+ carbon trimer cation 2ΣuD∞h
400 C3H3- Propargyl anion 1A'Cs
401 C3H3+ Propargyl cation 1A1C2v
402 C3H5 Allyl radical 2A2C2v
403 CH3CHCH 1-propenyl radical 2A'Cs
404 C3H7 n-Propyl radical 2A"C1
405 CH3CHCH3 Isopropyl radical 2AC2
406 LiCN lithium cyanide 1ΣC*V LiCN
407 ZnCN Zinc monocyanide 2ΣC∞v
408 ZnNC Zinc isocyanide 2ΣC∞v
409 CNN Diazocarbene   
410 NCN Cyanoimidogen 3ΣgD∞h
411 N3 azide radical 2ΠgD∞h
412 N3+ azide cation 3ΣgD∞h
413 N3+ azide cation 3ΣC∞v
414 HCCN cyanomethylene 3ΣC∞v
415 HCCN cyanomethylene   
416 HN3 hydrogen azide 1A'Cs
417 HN3+ Hydrazoic acid cation   
418 CH3CN- acetonitrile anion 2EC3v
419 HCNCH2+ 2H-Azirine cation   
420 CH3CHN methylmethaniminyl radical 2A'Cs
421 Li2O+ dilithium oxide cation 2ΠD∞h
422 LiO2 Lithium dioxide   
423 NaO2 Sodium superoxide   
424 CCO Dicarbon monoxide 3ΣC∞v
425 NCO isocyanato radical 2ΠC∞v
426 BO2+ Boron dioxide cation 3ΣgD∞h
427 N2O- Nitrous oxide anion 2A'Cs
428 N2O+ Nitrous oxide cation 2ΠC∞v
429 CO2- Carbon dioxide anion 2A1C2v
430 CO2+ Carbon dioxide cation 2ΠgD∞h
431 CO2+ Carbon dioxide cation 2ΠC∞v
432 OCS+ Carbonyl sulfide cation 2ΠC∞v
433 CS2- Carbon disulfide anion 2A1C2v
434 CS2+ Carbon disulfide cation 2ΠD∞h
435 NO2 Nitrogen dioxide 2A1C2v
436 NO2- Nitrogen dioxide anion 1A1C2v
437 NO2+ Nitrogen dioxide cation 1ΣGD∞h
438 NSO sulfinyl amidogen   
439 PO2+ Phosphorus dioxide cation 1ΣGD∞h
440 SNO Nitrogen oxide sulfide   
441 O3- Ozone anion 2B1C2v
442 O3+ Ozone cation 2A1C2v
443 SO2 Sulfur dioxide 1A1C2v
444 SO2- Sulfur dioxide anion 2B1C2v
445 SO2+ Sulfur dioxide cation 2A1C2v
446 S3+ Sulfur trimer cation 2B2C2v
447 SeO2+ Selenium dioxide cation 2A1C2v
448 HCCO ketenyl radical 2ΠC∞v
449 HCCO ketenyl radical 2A"Cs
450 HCOO formate neutral radical 2A'Cs
451 HOCO Hydrocarboxyl radical 1A'cis
452 HOCO Hydrocarboxyl radical 1A'trans
453 HOCO+ Hydrocarboxyl cation 1A'Cs
454 HNO2+ nitrous acid cation 2A'Cs
455 CH2CO+ Ketene cation 2B1C2v
456 CH2CHO Vinyloxy radical 2A"Cs
457 CH3OO+ methylperoxy cation 1A'Cs
458 C2H4O+ ethylene oxide cation   
459 CH3CHO+ acetaldehyde cation   
460 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
461 CH3CH2O Ethoxy radical 2A'Cs
462 CH3CHOH 1-hydroxy-ethyl radical 2AC1
463 CH3CH2SH ethanethiol 1A'Cs
464 CH3SCH3+ dimethyl sulfide cation   
465 FCO Carbonyl fluoride 2A'Cs
466 ClCO carbonyl monochloride 2A'Cs
467 BF2 Boron difluoride radical 2A1C2v
468 BrNO Nitrosyl bromide 1A'Cs
469 CF2- Difluoromethylene anion 2B1C2v
470 CF2+ Difluoromethylene cation 2A1C2v
471 SiF2 Silicon difluoride 1A1C2v
472 SiF2 Silicon difluoride 3B1C2v
473 CCl2- dichloromethylene anion 2B1C2v
474 CCl2+ dichloromethylene cation 2A1C2v
475 FOO+ Fluorine dioxide cation   
476 ClOO+ chloroperoxy cation 1A'Cs
477 OClO Chlorine dioxide 2B1D∞h
478 OClO- Chlorine dioxide anion 1A'Cs
479 OClO+ Chlorine dioxide cation 1A1C2v
480 ClSO Sulfur chloride oxide 2A"Cs
481 BrOO Bromine dioxide   
482 OBrO Bromine dioxide radical 2B1C2v
483 NF2+ Difluoroamino cation 1A1C2v
484 PF2 Phosphorus difluoride   
485 SF2- sulfur difluoride anion 2A'Cs
486 SF2- sulfur difluoride anion 2ΠD∞h
487 SF2+ sulfur difluoride cation 2B1C2v
488 BrOCl Bromine hypochlorite 1A'Cs
489 BrOBr Bromine oxide 1A1C2v
490 HCCF+ fluoroacetylene cation 2ΠC∞v
491 HFCO+ formyl fluoride cation 2A'Cs
492 COHCl Formyl chloride 1A'Cs
493 COHBr Formyl bromide 1A'Cs
494 CHF2 difluoromethyl radical 2ACs
495 CHFCl Chlorofluoromethyl radical   
496 CH2CHF Ethene, fluoro- 1A'Cs
497 C4 Carbon tetramer 3ΣgD∞h
498 C4H2+ diacetlyene cation 2ΠgD∞h
499 CH3CHCHCH2 methylallyl radical 2A"Cs
500 C2N2+ Cyanogen cation 2ΠgD∞h
501 HCCCN+ Cyanoacetylene cation 2ΠC∞v
502 C3H3N+ acrylonitrile cation 2A"Cs
503 NO3+ nitrogen trioxide cation 1A1C2v
504 NO3+ nitrogen trioxide cation 1A1'D3h
505 SO3- Sulfur trioxide anion 2A1pyramidal
506 SO3- Sulfur trioxide anion 2A2"planar
507 SO3+ Sulfur trioxide cation 2A2'D3h
508 C2H2O2 Ethanedial 1AgC2h
509 CH3COCH2 Acetonyl radical 2A"Cs
510 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
511 BrONO Bromine nitrite 1A'CS trans
512 CF2O+ Carbonic difluoride cation   
513 COFCl Carbonic chloride fluoride 1A'Cs
514 COBr2 Carbonic dibromide 1A1C2v
515 BF3- Borane, trifluoro- anion 2A1D3h
516 BF3- Borane, trifluoro- anion 2A1C3v
517 BF3+ boron trifluoride cation 2A2'D3h
518 BF3+ boron trifluoride cation   
519 BCl3+ Boron Trichloride cation   
520 CF3- Trifluoromethyl anion 1A1C3v
521 CF3+ Trifluoromethyl cation 1A1'D3h
522 CF2Cl difluorochloromethyl radical   
523 SiF3+ Silicon trifluoride cation 1A1'D3h
524 CFCl2 dichlorofluoromethyl radical   
525 CCl3- Trichloromethyl anion 1A1C3v
526 CCl3+ Trichloromethyl cation 1A1'D3h
527 NF3 Nitrogen trifluoride 1A1C3v
528 NF3- Nitrogen trifluoride anion 2A1C3v
529 NF3- Nitrogen trifluoride anion 2ACs
530 NF3+ Nitrogen trifluoride cation 2A1C3v
531 SF3 Sulfur trifluoride 2A'Cs
532 CHBrF2 Methane, bromodifluoro- 1A'Cs
533 CHBrCl2 Methane, bromodichloro- 1A'Cs
534 CHClBr2 Methane, dibromochloro- 1A'Cs
535 C3O2+ Carbon suboxide cation 2ΠUD∞h
536 CBrClF2 Methane, bromochlorodifluoro- 1A'Cs
537 C2HF3+ Trifluoroethylene cation 2A"Cs
538 SF5 Sulfur pentafluoride 2A1C4v
539 C7H7 cycloheptatrienyl radical 2A2C2v
540 C6H13N cyclohexanamine 1AC1
541 C6H12O2 Methyl pivalate 1AC1

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 H2 Hydrogen diatomic h2  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He Helium atom he  
10 HeH Helium hydride heh  
11 Li- Lithium atom anion li-  
12 Na+ Sodium atom cation na+  
13 K Potassium atom k  
14 K- Potassium atom anion k-  
15 K+ Potassium atom cation k+  
16 Cu Copper atom cu  
17 Cu- Copper atom anion cu-  
18 Cu+ Copper atom cation cu+  
19 LiH Lithium Hydride lih  
20 LiH- lithium hydride anion lih-  
21 NaH sodium hydride nah  
22 NaH- sodium hydride anion nah-  
23 KH Potassium hydride kh  
24 KH+ Potassium hydrogen cation kh+  
25 CuH Copper monohydride cuh  
26 Be Beryllium atom be  
27 Be- Beryllium atom anion be-  
28 Mg Magnesium atom mg  
29 Ca Calcium atom ca  
30 Ca- Calcium atom anion ca-  
31 Ca+ Calcium atom cation ca+  
32 Zn Zinc atom zn  
33 Zn- Zinc atom anion zn-  
34 Zn+ Zinc atom cation zn+  
35 BeH- berylium monohydride anion beh-  
36 BeH+ beryllium monohydride cation beh+  
37 MgH- magnesium monohydride anion mgh-  
38 MgH+ magnesium monohydride cation mgh+  
39 CaH+ Calcium monohydride cation cah+  
40 ZnH Zinc monohydride znh  
41 ZnH+ Zinc, protonated znh+  
42 BeH2 beryllium dihydride beh2  
43 MgH2 magnesium dihydride mgh2  
44 CaH2 Calcium Hydride cah2  
45 ZnH2 Zinc hydride znh2  
46 B- Boron atom anion b-  
47 BH Boron monohydride bh  
48 BH- boron monohydride anion bh-  
49 BH+ boron monohydride cation bh+  
50 AlH aluminum monohydride alh  
51 AlH- aluminum monohydride anion alh-  
52 AlH+ aluminum monohydride cation alh+  
53 ScH Scandium monohydride sch  
54 ScH+ Scandium monohydride cation sch+  
55 GaH Gallium monohydride gah  
56 BH2 boron dihydride bh2  
57 BH2+ Boron dihydride cation bh2+  
58 AlH2 aluminum dihydride alh2  
59 BH3 boron trihydride bh3  
60 BH3- boron trihydride anion bh3-  
61 AlH3 aluminum trihydride alh3  
62 ScH3 Scandium trihydride sch3  
63 GaH3 Gallium trihydride gah3  
64 AlH4- Aluminum tetrahydride anion alh4-  
65 C- Carbon atom anion c-  
66 Ti Titanium atom ti  
67 Ti- Titanium atom anion ti-  
68 Ti+ Titanium atom cation ti+  
69 Sn Tin atom sn  
70 Sn+ Tin cation sn+  
71 CH- methylidyne anion ch-  
72 CH+ Methylidyne cation ch+  
73 SiH+ silicon monohydride cation sih+  
74 GeH+ Germaniun monohyrdide cation geh+  
75 SiH2 silicon dihydride sih2  
76 CD4 methane-d4 cd4  
77 CH2D2 methane-d2 ch2d2  
78 CH3D methane-d ch3d  
79 CH4 Methane ch4  
80 CH4- Methane anion ch4-  
81 CH4+ Methane cation ch4+  
82 CHD3 methane-d3 chd3  
83 SiH2D2 silane-d2 sih2d2  
84 SiH4 Silane sih4  
85 SiH4+ Silane cation sih4+  
86 GeH4 Germane geh4  
87 SnH4 Stannane snh4  
88 SiH5+ Silane, protonated sih5+  
89 Sb Antimony atom sb  
90 NH Imidogen nh  
91 NH- Imidogen anion nh-  
92 NH+ imidogen cation nh+  
93 PH- phosphorus monohydride anion ph-  
94 PH+ phosphorus monohydride cation ph+  
95 SbH Antimony monohydride sbh  
96 ND2 Amidogen-d2 nd2  
97 NH2- amino anion nh2-  
98 PH2 Phosphino radical ph2  
99 AsH2+ Arsenic dihydride cation ash2+  
100 ND3 Ammonia-d3 nd3  
101 NH3 Ammonia nh3  
102 PH3 Phosphine ph3  
103 AsH3 Arsine ash3  
104 SbH3 Stibine sbh3  
105 AsH4+ Arsonium ash4+  
106 NH4+ ammonium cation nh4+  
107 PH4+ phosphonium cation ph4+  
108 Cr Chromium atom cr  
109 Te Tellurium atom te  
110 Te+ Tellurium atom cation te+  
111 DO Hydroxyl-d od  
112 OH- hydroxide anion oh-  
113 DS Mercapto-d ds  
114 HSe- selenium monohydride anion hse-  
115 TeH Telluryl radical teh  
116 D2O Deuterium oxide d2o  
117 H2O Water h2o  
118 HDO Water-d1 hdo  
119 D2S Hydrogen sulfide-d2 d2s  
120 H2S Hydrogen sulfide h2s  
121 H2Te Hydrogen Telluride h2te  
122 H3O+ hydronium cation h3o+  
123 H3Se+ Hydrogen Selenide, protonated h3se+  
124 Mn Manganese atom mn  
125 I Iodine atom iodine  
126 I- Iodine atom anion iodine-  
127 I+ Iodine atom cation iodine+  
128 DF Hydrofluoric acid-d df  
129 HF Hydrogen fluoride hf  
130 DCl Hydrochloric acid-d dcl  
131 HCl Hydrogen chloride hcl  
132 HI Hydrogen iodide hi  
133 HI+ Hydrogen iodide cation hi+  
134 H2F+ dihydrogen fluoride cation h2f+  
135 H2Br+ protonated hydrogen bromide h2br+  
136 H2I+ Iodonium h2i+  
137 Ne Neon atom ne  
138 Ar Argon atom ar  
139 Fe Iron atom fe  
140 Kr Krypton atom kr  
141 Xe Xenon atom xe  
142 HeLi+ Helium Lithium cation heli+  
143 NeH+ neon hydrogen cation neh+  
144 ArH+ Argon hydride cation arh+  
145 KrH+ Protonated Krypton krh+  
146 XeH+ Xenon, protonated xeh+  
147 H2Ar H2 Ar dimer h2ar  
148 Co Cobalt atom cobalt  
149 Ni Nickel atom ni  
150 Li2 Lithium diatomic li2  
151 Li2- lithium diatomic anion li2-  
152 Li2+ lithium diatomic cation li2+  
153 NaLi lithium sodium lina  
154 NaLi- lithium sodium anion lina-  
155 NaLi+ lithium sodium cation lina+  
156 LiK Lithium Potassium lik  
157 Na2 Sodium diatomic na2  
158 NaK Sodium Potassium nak  
159 NaK+ Sodium Potassium diatomic cation nak+  
160 K2 Potassium diatomic k2  
161 Cu2 Copper diatomic cu2  
162 Be2 Beryllium diatomic be2  
163 Be2+ Beryllium diatomic cation be2+  
164 BeMg Beryllium Magnesium bemg  
165 Mg2 Magnesium diatomic mg2  
166 Mg2- magnesium diatomic anion mg2-  
167 Mg2+ magnesium diatomic cation mg2+  
168 Ca2 Calcium diatomic ca2  
169 LiAl Lithium Aluminum lial  
170 NaAl Sodium aluminum naal  
171 B2- Boron diatomic anion b2-  
172 Al2 Aluminum diatomic al2  
173 Al2- aluminum diatomic anion al2-  
174 Al2+ aluminum diatomic cation al2+  
175 LiBH4 Lithium borohydride libh4  
176 B2H4 Diborane(4) D2d b2h4  
177 HBHHBH Diborane(4) C2V hbhhbh  
178 B2H6 Diborane b2h6  
179 Al2H6 dialane al2h6  
180 Ga2H6 digallane ga2h6  
181 BC+ boron monocarbide cation bc+  
182 C2 Carbon diatomic c2  
183 C2- carbon diatomic anion c2-  
184 Si2 Silicon diatomic si2  
185 Si2- silcon diatomic anion si2-  
186 Si2+ silcon diatomic cation si2+  
187 C2H- Ethynyl anion c2h-  
188 C2H+ Ethynyl cation c2h+  
189 ZnCH2 Zinc methylene znch2  
190 C2H2 Acetylene c2h2  
191 CCH2 vinylidene vinylidene  
192 Si2H2 disilyne si2h2  
193 CuCH3 monomethyl copper cuch3  
194 ZnCH3 Zinc monomethyl znch3  
195 CH2BH methyleneborane ch2bh  
196 C2H3- vinyl anion c2h3-  
197 C2H4 Ethylene c2h4  
198 CH3CH methylmethylene ch3ch  
199 CH2SiH2 silaethylene ch2sih2  
200 Si2H4 Disilene si2h4  
201 CH3BH2 methylborane ch3bh2  
202 C2H5- Ethyl anion c2h5-  
203 C2H5+ Ethyl cation c2h5+  
204 C2H6 Ethane c2h6  
205 CH3SiH3 methyl silane ch3sih3  
206 Si2H6 disilane si2h6  
207 GeH3CH3 methyl germane geh3ch3  
208 C2H7+ Ethane, protonated c2h7+  
209 BeN+ Beryllium mononitride cation ben+  
210 BN- boron nitride anion bn-  
211 AlN- aluminum mononitride anion aln-  
212 AlN+ aluminum mononitride cation aln+  
213 BN+ boron nitride cation bn+  
214 AlN Aluminum nitride aln  
215 CN- cyanide anion cn-  
216 CN+ Cyano cation cn+  
217 CP Carbon monophosphide cp  
218 CP- carbon monophosphide anion cp-  
219 CP+ carbon monophosphide cation cp+  
220 SiN Silicon nitride sin  
221 SiN- silicon mononitride anion sin-  
222 SiN+ silicon mononitride cation sin+  
223 TiN Titanium mononitride tin  
224 N2 Nitrogen diatomic n2  
225 PN Phosphorus mononitride pn  
226 PN- phosphorus nitride anion pn-  
227 PN+ phosphorus nitride cation pn+  
228 P2 Phosphorus diatomic p2  
229 P2- phosphorus diatomic anion p2-  
230 P2+ phosphorus diatomic cation p2+  
231 AsN Arsenic mononitride asn  
232 AsP Arsenic monophosphide asp  
233 SbN Antimony nitride sbn  
234 As2 Arsenic diatomic as2  
235 HNB hydrogen nitrogen boron hnb  
236 HNC hydrogen isocyanide hnc  
237 HCN Hydrogen cyanide hcn  
238 HCN- Hydrogen cyanide anion hcn-  
239 HCP Phosphaethyne hcp  
240 NNH Dinitrogen monohydride nnh  
241 NNH+ Dinitrogen monohydride cation nnh+  
242 HPO Hydrogen phosphorus oxide hpo  
243 LiNH2 lithium amide linh2  
244 HBNH Boranimine hbnh  
245 CNH2+ N-protonated hydrogen isocyanide cnh2+  
246 H2CN+ hydrocyanonium cation h2cn+  
247 HCNH+ N-protonated HCN hcnh+  
248 H2NN Isodiazene h2nn  
249 N2H2 (E)-diazene n2h2  
250 N2H2 (Z)-Diazene n2h2z  
251 CH2NH Methanimine ch3n  
252 CHNH2 aminomethylene chnh2  
253 CH2PH Phosphaethene ch3p  
254 BH2NH2 Boranamine bh2nh2  
255 CH2NH2+ methyleneamine cation ch2nh2+  
256 N2H4 Hydrazine n2h4  
257 P2H4 Diphosphine p2h4  
258 CH3NH2 methyl amine ch3nh2  
259 CH3PH2 Methyl phosphine ch3ph2  
260 SiH3NH2 Silane, amino sih3nh2  
261 N2H5+ protonated hydrazine n2h5+  
262 BH3PH3 borane phosphine bh3ph3  
263 BH3NH3 borane ammonia bh3nh3  
264 CH3NH3+ protonated methylamine ch3nh3+  
265 CH3PH3+ methyl phosphine, protonated ch3ph3+  
266 NH3NH3 Ammonia Dimer nh3nh3  
267 N2H7+ ammonia ammonium dimer n2h7+  
268 NaO- sodium oxide anion nao-  
269 NaO+ sodium oxide cation nao+  
270 KO Potassium monoxide ko  
271 KO+ Potassium monoxide cation ko+  
272 CuO Copper Monoxide cuo  
273 BeO beryllium oxide beo  
274 BeS beryllium sulfide bes  
275 MgO magnesium oxide mgo  
276 MgO- magnesium oxide anion mgo-  
277 MgO+ magnesium oxide cation mgo+  
278 CaO Calcium monoxide cao  
279 MgS magnesium sulfide mgs  
280 MgS- magnesium sulfide anion mgs-  
281 MgS+ magnesium sulfide cation mgs+  
282 CaS Calcium sulfide cas  
283 ZnO zinc monoxide zno  
284 ZnS Zinc sulfide zns  
285 BeS- Beryllium monosulfide anion bes-  
286 BeS+ Beryllium monosulfide cation bes+  
287 AlO Aluminum monoxide alo  
288 AlO- Aluminum monoxide anion alo-  
289 AlO+ aluminum monoxide cation alo+  
290 BS boron sulfide bs  
291 BS- boron monosulfide anion bs-  
292 BS+ boron monosulfide cation bs+  
293 AlS Aluminum sulfide als  
294 AlS- aluminum monosulfide anion als-  
295 AlS+ aluminum monosulfide cation als+  
296 BO+ boron monoxide cation bo+  
297 CO Carbon monoxide co  
298 CS carbon monosulfide cs  
299 CS- carbon monosulfide anion cs-  
300 CS+ carbon monosulfide cation cs+  
301 SiO Silicon monoxide sio  
302 SiO- silicon monoxide anion sio-  
303 SiO+ silicon monoxide cation sio+  
304 SiS silicon monosulfide sis  
305 SiS- silicon monosulfide anion sis-  
306 SiS+ silicon monosulfide cation sis+  
307 CSe Carbon monoselenide cse  
308 CSe- Carbon monoselenide anion cse-  
309 CSe+ Carbon monoselenide cation cse+  
310 GeO Germanium monoxide geo  
311 GeS Germanium monosulfide ges  
312 SiSe Silicon Monoselenide sise  
313 GeSe Germanium monoselenide gese  
314 NO+ nitric oxide cation no+  
315 NS+ nitrogen sulfide cation ns+  
316 PO- phosphorus monoxide anion po-  
317 PO+ phosphorus monoxide cation po+  
318 PS- phosphorus monosulfide anion ps-  
319 PS+ phosphorus monosulfide cation ps+  
320 AsO Arsenic monoxide aso  
321 O2-- dioxygen dianion o2--  
322 SO- sulfur monoxide anion so-  
323 S2- sulfur diatomic anion s2-  
324 S2+ sulfur diatomic cation s2+  
325 SeO- selenium monoxide anion seo-  
326 SeO+ selenium monoxide cation seo+  
327 SeS Selenium monosulfide ses  
328 SeS- selenium monosulfide anion ses-  
329 SeS+ selenium monosulfide cation ses+  
330 TeO Tellurium monoxide teo  
331 Se2- selenium diatomic anion se2-  
332 Se2+ selenium diatomic cation se2+  
333 Te2 Tellurium diatomic te2  
334 LiOH lithium hydroxide lioh  
335 NaOH sodium hydroxide naoh  
336 KOH Potassium hydroxide koh  
337 MgOH magnesium hydroxide mgoh  
338 CaOH Calcium monohydroxide caoh  
339 HBO Boron hydride oxide hbo  
340 HBS hydrogen boron sulfide hbs  
341 COH+ Carbon Monoxide, protonated coh+  
342 HCS Thioformyl radical hcs  
343 HCS- Thioformyl anion hcs-  
344 HNO- Nitrosyl hydride anion hno-  
345 HNS Sulfur imide hns  
346 HSO+ Sulfur Monoxide, S-protonated HSO+  
347 H2CO Formaldehyde h2co  
348 HOCH hydroxycarbene hoch  
349 H2CS Thioformaldehyde h2cs  
350 H2CSe Selenoformaldehyde h2cse  
351 H2O2 Hydrogen peroxide h2o2  
352 H2OO water oxide h2oo  
353 HOSH hydrogen thioperoxide hosh  
354 H2S2 Disulfane h2s2  
355 H2Se2 hydrogen diselenide h2se2  
356 CH2OH+ hydroxymethyl cation ch2oh+  
357 CH3O Methoxy radical ch3o  
358 CH3O- methoxy anion ch3o-  
359 CH3S thiomethoxy ch3s  
360 H2CSH+ Thioformaldehyde, protonated h2csh+  
361 NH2OH hydroxylamine nh2oh  
362 NH3O Ammonia Oxide nh3o  
363 H2POH Phosphinous acid h2poh  
364 H3PO Phosphine oxide h3po  
365 NH2SH Thiohydroxylamine nh2sh  
366 NH3S sulfidoazane nh3s  
367 H3O2+ hydrogen peroxide, protonated h3o2+  
368 CH3SH Methanethiol ch3sh  
369 SiH3OH silanol sih3oh  
370 CH3SeH Methane selenol ch3seh  
371 H2OH2O water dimer h2oh2o  
372 CH3OH2+ Methanol, protonated ch3oh2+  
373 CH3SH2+ protonated methylsulfide ch3sh2+  
374 H2ONH3 Water Ammonia Dimer h2onh3  
375 H5O2+ Dihydroxonium ion h5o2+  
376 LiF lithium fluoride lif  
377 LiCl lithium chloride licl  
378 LiCl- lithium chloride anion licl-  
379 LiCl+ lithium chloride cation licl+  
380 NaF sodium fluoride naf  
381 NaF- sodium fluoride anion naf-  
382 KF Potassium Fluoride kf  
383 NaCl Sodium Chloride nacl  
384 NaCl- sodium chloride anion nacl-  
385 NaCl+ sodium chloride cation nacl+  
386 KCl Potassium Chloride kcl  
387 CuF Copper monofluoride cuf  
388 LiBr Lithium Bromide libr  
389 LiBr- lithium bromide anion libr-  
390 LiBr+ lithium bromide cation libr+  
391 CuCl Copper monochloride cucl  
392 NaBr Sodium Bromide nabr  
393 NaBr- sodium bromide anion nabr-  
394 NaBr+ sodium bromide cation nabr+  
395 KBr Potassium Bromide kbr  
396 LiI Lithium Iodide lii  
397 NaI Sodium Iodide nai  
398 KI Potassium Iodide ki  
399 BeF Beryllium monofluoride bef  
400 BeCl beryllium monochloride becl  
401 MgF Magnesium monofluoride mgf  
402 MgF- magnesium fluoride anion mgf-  
403 MgF+ magnesium fluoride cation mgf+  
404 CaF Calcium monofluoride caf  
405 MgCl magnesium monochloride mgcl  
406 MgCl- magnesium monochloride anion mgcl-  
407 MgCl+ magnesium monochloride cation mgcl+  
408 CaCl calcium monochloride cacl  
409 TiCl Titanium Monochloride ticl  
410 ZnF- Zinc monofluoride anion znf-  
411 ZnF+ Zinc monofluoride cation znf+  
412 ZnCl Zinc monochloride zncl  
413 BeCl- beryllium monochloride anion becl-  
414 BeCl+ beryllium monochloride cation becl+  
415 BF Boron monofluoride bf  
416 BF- Boron monofluoride anion bf-  
417 BF+ Boron monofluoride cation bf+  
418 AlF Aluminum monofluoride alf  
419 AlF- Aluminum monofluoride anion alf-  
420 AlF+ Aluminum monofluoride cation alf+  
421 BCl boron monochloride bcl  
422 BCl- boron monochloride anion bcl-  
423 BCl+ boron monochloride cation bcl+  
424 AlCl Aluminum monochloride alcl  
425 AlCl- aluminum monochloride anion alcl-  
426 AlCl+ aluminum monochloride cation alcl+  
427 ScF Scandium monofluoride scf  
428 BBr Boron monobromide bbr  
429 AlBr Aluminum monobromide albr  
430 AlI Aluminum monoiodide ali  
431 GaBr Gallium monobromide gabr  
432 CF- carbon monofluoride anion cf-  
433 CF+ carbon monofluoride cation cf+  
434 CCl carbon monochloride ccl  
435 CCl- carbon monochloride anion ccl-  
436 CCl+ carbon monochloride cation ccl+  
437 SiF+ silicon monofluoride cation sif+  
438 SiCl- silicon monochloride anion sicl-  
439 SiCl+ silicon monochloride cation sicl+  
440 GeF+ Germanium monofluoride cation gef+  
441 GeCl+ Germanium monochloride cation gecl+  
442 NF nitrogen fluoride nf  
443 NF- nitrogen monofluorine anion nf-  
444 NF+ nitrogen monofluoirde cation nf+  
445 PF phosphorus monofluoride pf  
446 PF- phosphorus monofluoride anion pf-  
447 PF+ phosphorus monofluoride cation pf+  
448 PCl phosphorus chloride pcl  
449 PCl- phosphorus monochloride anion pcl-  
450 PCl+ phosphorus monochloride cation pcl+  
451 SbF Antimony monofluoride sbf  
452 SbCl Antimony monochloride sbcl  
453 FO- flourine oxide anion fo-  
454 FO+ fluorine monoxide cation fo+  
455 ClO- chlorine monoxide anion clo-  
456 SF- sulfur monofluoride anion sf-  
457 SCl- sulfur monochloride anion scl-  
458 BrO- Bromine monoxide anion bro-  
459 IO Iodine monoxide io  
460 BrCl Bromine monochloride brcl  
461 F2 Fluorine diatomic f2  
462 ClF- clorine monofluoride anion clf-  
463 Cl2 Chlorine diatomic cl2  
464 BrF Bromine monofluoride brf  
465 BrF- bromine fluoride anion brf-  
466 BrF+ bromine fluoride cation brf+  
467 BrCl- bromine chloride anion brcl-  
468 BrCl+ bromine chloride cation brcl+  
469 IF Iodine monofluoride if  
470 Br2 Bromine diatomic br2  
471 ICl Iodine monochloride icl  
472 IBr Iodine monobromide ibr  
473 I2 Iodine diatomic i2  
474 I2+ Iodine diatomic cation i2+  
475 HCF Fluoromethylene hcf  
476 HCCl Chloromethylene hccl  
477 HSiF fluorosilylene hsif  
478 HSiCl Chlorosilylene hsicl  
479 HSiBr monobromosilylene hsibr  
480 CHBr bromomethylene chbr  
481 HOF Hypofluorous acid hfo  
482 DOCl Hypochlorous acid-d docl  
483 HOCl hypochlorous acid hocl  
484 HOBr Hypobromous acid hobr  
485 HOI Hypoiodous acid hoi  
486 F2H+ Fluorine, protonated f2h+  
487 FHF Hydrogen difluoride fhf  
488 ClFH+ Chlorine fluoride, F-protonated clfh+  
489 FClH+ Chlorine fluoride, Cl-protonated fclh+  
490 Cl2H+ Chlorine, protonated cl2h+  
491 CH2F+ fluoromethyl cation ch2f+  
492 CH2Cl+ chloromethyl cation ch2cl+  
493 NH2F monofluoroamine nh2f  
494 NH2Cl chloramine nh2cl  
495 H2F2 Hydrogen fluoride dimer h2f2  
496 CD3F methylfluoride-d3 cd3f  
497 CH3F Methyl fluoride ch3f  
498 CD3Cl methyl chloride d3 cd3cl  
499 CH3Cl Methyl chloride ch3cl  
500 SiH3F monofluorosilane sih3f  
501 SiH3Cl chlorosilane sih3cl  
502 GeH3F monofluorogermane geh3f  
503 GeH3Cl monochlorogermane geh3cl  
504 SiH3Br bromosilane sih3br  
505 CH3I methyl iodide ch3i  
506 SiH3I Silyl Iodide sih3i  
507 NH3Cl+ protonated monochloroammonia nh3cl+  
508 CH3ClH+ methyl chloride, protonated ch3clh+  
509 NH4Cl Ammonium chloride nh4cl  
510 LiNe+ Lithium Neon cation line+  
511 Ne2 Neon diatomic ne2  
512 Ar2 Argon diatomic ar2  
513 Li3+ Lithium trimer cation li3+  
514 SiC2 Silicon dicarbide sic2  
515 C3H3 cyclopropenyl radical cpr  
516 C3H3 Propargyl radical propargyl  
517 C3H3+ cyclopropenyl cation cpr+  
518 C3H4 cyclopropene cprop  
519 CH2CCH2 allene allene  
520 CH3CCH propyne propyne  
521 C3H5+ Allyl cation allyl+  
522 Zn(CH3)2 dimethyl zinc dmz  
523 C3H6 Cyclopropane c3h6  
524 CH2CHCH3 Propene propene  
525 C3H7+ cyclopropane, protonated c3h7+  
526 CH3CHCH3+ Isopropyl cation prop2yl+  
527 C3H8 Propane propane  
528 SiH2(CH3)2 dimethylsilane dms  
529 Si3H8 trisilane si3h8  
530 NaCN Sodium Cyanide nacn  
531 KCN Potassium cyanide kcn  
532 CuCN Copper cyanide cucn  
533 AlCN Aluminum monocyanide alcn  
534 AlNC Aluminum isocyanide alnc  
535 CN2 3H-Diazirin-3-ylidene cn2  
536 N3- azide anion n3-  
537 HCNN diazomethyl radical hcnn  
538 HNCNH diiminomethane hncnh  
539 CH2N2 diazirine ch2n2  
540 CH2NN diazomethane ch2nn  
541 NH2CN cyanamide cyanamide  
542 HNNNH+ 1,2-Triazadienium n2h3+  
543 NH2NN+ hydrazoic acid, protonated nh2nn+  
544 CH3CN Acetonitrile ch3cn  
545 CH3CN+ Acetonitrile cation ch3cn+  
546 CH3NC methyl isocyanide ch3nc  
547 CHNCH2 2H-Azirine c157164  
548 CHNHCH 1H-Azirine chnhch  
549 H2CCNH Ethenimine ch2cnh  
550 H2CNCH methyleneaminomethylene ch2nch  
551 HCCNH2 Ethynamine hccnh2  
552 HNCNH2+ diiminomethane, protonated hncnh2+  
553 NCNH3+ Cyanamide, protonated ncnh3+  
554 NH2CNH+ cyanamide, cn protonated nh2cnh+  
555 NH3CN+ cyanamide, amine protonated nh3cn+  
556 CH2CHNH vinylazine ch2chnh  
557 NHCHNH2 aminomethanimine cn2h4  
558 C2H5N Aziridine c2h5n  
559 CH2CHNH2 aminoethene aminoethene  
560 CH2NCH3 N-methylmethanimine nmm  
561 CH3CHNH ethanimine ethanimine  
562 NH2BHNH2 diaminoborane nh2bhnh2  
563 C2H5NH+ Protonated Aziridine c2h5nh+  
564 C2H6N+ aziridine, protonated c2h6n+  
565 NH2CH2NH2 diaminomethane nh2ch2nh2  
566 CH3CH2NH2 Ethylamine etam  
567 CH3NHCH3 Dimethylamine ch3nhch3  
568 CH3PHCH3 dimethylphosphine ch3phch3  
569 NH2CH2NH3+ diaminoethane, protonated pdam  
570 (CH3)2NH2+ dimethylammonium cation dmam  
571 CH3CH2NH3+ ethylamine, protonated pea  
572 Li2O dilithium oxide li2o  
573 Li2S dilithium sulfide li2s  
574 Na2O disodium monoxide na2o  
575 Na2S Sodium sulfide na2s  
576 CNO- fulminate cno-  
577 NCO- cyanate nco-  
578 SCN thiocyanato radical scn  
579 SCN- thiocyanide anion scn-  
580 BO2 Boron dioxide bo2  
581 BO2- Boron dioxide anion bo2-  
582 N2O Nitrous oxide n2o  
583 NNS Nitrogen sulfide nns  
584 PPO Phosphorus oxide phosphide ppo  
585 CO2 Carbon dioxide co2  
586 OCS Carbonyl sulfide cos  
587 SiO2 silicon dioxide sio2  
588 CS2 Carbon disulfide cs2  
589 TiO2 Titanium dioxide tio2  
590 SiS2 Silicon disulfide sis2  
591 GeO2 Germanium dioxide geo2  
592 OCSe Carbonyl selenide ocse  
593 SCSe Carbon sulfide selenide scse  
594 GeS2 Germanium disulfide ges2  
595 CSe2 Carbon diselenide cse2  
596 SCTe Carbon sulfide Telluride scte  
597 PO2 Phosphorus dioxide po2  
598 PO2- Phosphorus dioxide anion po2-  
599 AsO2 Aresenic dioxide aso2  
600 O3 Ozone o3  
601 SSO Disulfur monoxide sso  
602 S3 Sulfur trimer s3  
603 S3- Sulfur trimer anion s3-  
604 SeO2 Selenium dioxide seo2  
605 TeO2 Tellurium Dioxide teo2  
606 CS2H+ Carbon disulfide, protonated cs2h+  
607 HCNO fulminic acid hcno  
608 HNCO Isocyanic acid hnco  
609 HOCN cyanic acid hocn  
610 HNCS Isothiocyanic acid hncs  
611 HSCN thiocyanic acid hscn  
612 HCO2- formate anion hco2-  
613 HNNO nitrosoazane hnno  
614 HNNO+ Nitrous oxide, N-protonated hnno+  
615 NNOH+ Nitrous Oxide, O-protonated nnoh+  
616 HNO2 Nitrous acid hno2  
617 O3H+ protonated ozone o3h+  
618 SO2H+ protonated sulfur dioxide so2h+  
619 C2H2O Oxirene oxirene  
620 CH2CO Ketene ch2co  
621 HCCOH ethynol hccoh  
622 CH2CS Thioketene ch2cs  
623 Be(OH)2 Beryllium hydroxide beo2h2  
624 Mg(OH)2 Magnesium dihydroxide h2mgo2  
625 NH2NO Nitrosamide nh2no  
626 CH2O2 Dioxirane diox  
627 H2COO Dioxymethyl radical h2coo  
628 H2COO+ dioxymethyl cation h2coo+  
629 HCOOH Formic acid ch2o2  
630 H2O3 Hydrogen trioxide h2o3  
631 HSSSH trisulfane hsssh  
632 NaOCH3 Sodium methoxide naoch3  
633 CH2BOH hydroxy(methylene)borane ch2boh  
634 BH3CO Borane carbonyl bh3co  
635 CH3BO Borane, methyloxo- ch3bo  
636 CH2COH+ ketene, protonated ch2coh+  
637 CH3CO Acetyl radical ch3co  
638 CH3CO- Acetyl anion ch3co-  
639 CH3CO+ acetyl cation ch3co+  
640 CH2NOH formaldoxime ch2noh  
641 CH3NO nitrosomethane ch3no  
642 CHONH2 formamide formamide  
643 CNOH3 1,2-oxaziridine cnoh3  
644 HOCHNH hydroxymethylimine hochnh  
645 CHSNH2 thioformamide chsnh2  
646 NHCHSH Methanimidothioic acid nhchsh  
647 CH2OOH CH2OOH radical ch2ooh  
648 CH3OO methylperoxy radical ch3oo  
649 CH3OO- methylperoxy anion ch3oo-  
650 C2H4O Ethylene oxide c2h4o  
651 CH2CHOH ethenol ch2choh  
652 CH3CHO Acetaldehyde ch3cho  
653 C2H4S Thiirane thiirane  
654 CH2CHSH Ethenethiol ch2chsh  
655 CH3CHS Thioacetaldehyde ch3chs  
656 H2CONH2+ protonated formamide h2conh2+  
657 NH2CHOH+ Formamide, O-protonated nh2choh+  
658 NH3CHO+ Formamide, N-Protonated nh3cho+  
659 CH2(OH)2 methanediol ch2o2h2  
660 CH3OOH Methyl peroxide ch3ooh  
661 CH3SSH Hydrogen methyl disulfide ch3ssh  
662 HSCH2SH Methanedithiol ch4s2  
663 H2OH2CO water formaldehyde dimer h2oh2co  
664 C2H4OH+ ethylene oxide, protonated c2h4oh+  
665 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
666 CH3CHOH+ acetaldehyde, protonated ch3choh+  
667 CH3OCH2 methoxymethyl radical ch3och2  
668 NH2CH2OH aminomethanol nh2ch2oh  
669 CH3CH2OH Ethanol etoh  
670 CH3OCH3 Dimethyl ether meome  
671 CH3SCH3 Dimethyl sulfide mesme  
672 CH3SeCH3 dimethylselenide dmse  
673 CH3OHH2O methanol water dimer ch3ohh2o  
674 H2OCH3OH water methanol dimer h2och3oh  
675 CuF2 Copper difluoride cuf2  
676 ZnF2 Zinc difluoride znf2  
677 CNF iso cyanogen fluoride cnf  
678 FCN Cyanogen fluoride fcn  
679 ClCN chlorocyanogen clcn  
680 BrCN Cyanogen bromide brcn  
681 ICN Cyanogen iodide icn  
682 FBO Boron monofluoride monoxide fbo  
683 BeF2 Beryllium fluoride bef2  
684 MgF2 Magnesium fluoride mgf2  
685 BeCl2 Beryllium chloride becl2  
686 MgCl2 Magnesium dichloride mgcl2  
687 CaCl2 Calcium Chloride cacl2  
688 ZnCl2 Zinc dichloride zncl2  
689 BeBr2 Beryllium bromide bebr2  
690 CaBr2 Calcium dibromide cabr2  
691 CaF2 Calcium difluoride caf2  
692 FCO+ Carbonyl fluoride cation fco+  
693 FNO Nitrosyl fluoride fno  
694 ClNO Nitrosyl chloride clno  
695 FNS Thionitrosyl fluoride fns  
696 FSN Thiazyl fluoride fsn  
697 OPCl Phosphorus oxychloride opcl  
698 INO Nitrosyl iodide ino  
699 CF2 Difluoromethylene cf2  
700 CFCl chlorofluoromethylene cfcl  
701 SiF2+ Silicon difluoride cation sif2+  
702 CCl2 dichloromethylene ccl2  
703 SiCl2 Dichlorosilylene sicl2  
704 GeF2 Germanium difluoride gef2  
705 GeCl2 Germanium dichloride gecl2  
706 CBr2 dibromomethylene cbr2  
707 FOO Dioxygen monofluoride radical foo  
708 ClOO chloroperoxy radical cloo  
709 ClS2 Sulfur chloride cls2  
710 NF2 Difluoroamino radical nf2  
711 PF2+ Phosphorus difluoride cation pf2+  
712 FClO chlorosyl fluoride fclo  
713 F2O Difluorine monoxide f2o  
714 ClOF Chlorine hypofluorite clof  
715 SF2 sulfur difluoride sf2  
716 Cl2O Dichlorine monoxide cl2o  
717 SCl2 Sulfur dichloride scl2  
718 SeF2 Selenium difluoride sef2  
719 SeCl2 Selenium Dichloride secl2  
720 SBr2 Sulfur dibromide sbr2  
721 SeBr2 Selenium dibromide sebr2  
722 F3- trifluoride anion f3-  
723 Cl3- trichloride anion cl3-  
724 Br3- tribromide anion br3-  
725 I3- triiodide i3-  
726 SFCl Sulfur chloride fluoride sfcl  
727 HCCF Fluoroacetylene hccf  
728 HCCCl Chloroacetylene hcccl  
729 HCCBr bromoacetylene hccbr  
730 HFCO formyl fluoride hfco  
731 BHF2 Difluoroborane bhf2  
732 BHCl2 Borane, dichloro- bhcl2  
733 CHCl2 dichloromethyl radical chcl2  
734 CHF2+ difluoromethyl cation chf2+  
735 CHFCl+ Chlorofluoromethyl cation chfcl+  
736 CHCl2+ dichloromethyl cation chcl2+  
737 CHBr2 dibromomethyl radical chbr2  
738 HOClO Chlorous acid hoclo  
739 NHF2 difluoramine nhf2  
740 NHCl2 dichloroamine nhcl2  
741 CH2F2 Methane, difluoro- ch2f2  
742 CH2FCl fluorochloromethane ch2fcl  
743 SiH2F2 difluorosilane sih2f2  
744 CH2Cl2 Methylene chloride ch2cl2  
745 CH2BrF Methane, bromofluoro- ch2fbr  
746 CH2BrCl Methane, bromochloro- ch2clbr  
747 CH2FI fluoroiodomethane ch2fi  
748 CH2Br2 dibromomethane ch2br2  
749 CH2ClI chloroiodomethane ch2cli  
750 CH2BrI bromoiodomethane ch2bri  
751 CH2I2 Diiodomethane ch2i2  
752 SiH2Cl2 dichlorosilane sih2cl2  
753 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
754 CH2CHF+ fluoroethene cation ch2chf+  
755 C2H3Cl Ethene, chloro- ch2chcl  
756 C2H3Br vinyl bromide c2h3br  
757 C2H3I Vinyl iodide c2h3i  
758 CH2FOH fluoromethanol ch2foh  
759 CH3OCl methyl hypochlorite ch3ocl  
760 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
761 CHClCH3 1-chloroethyl radical chclch3  
762 C2H5F fluoroethane c2h5f  
763 CH3CH2Cl Ethyl chloride c2h5cl  
764 CH3SiFH2 fluoromethylsilane ch3sifh2  
765 C2H5Br Ethyl bromide etbr  
766 C2H5I Ethyl iodide c2h5i  
767 KrF2 Krypton difluoride krf2  
768 XeF2 Xenon difluoride xef2  
769 B4H10 Tetraborane(10) b4h10  
770 C4+ Carbon tetramer cation c4+  
771 C4H2 Diacetylene c4h2  
772 C2H3CCH 1-Buten-3-yne c2h3cch  
773 C4H4 cyclobutadiene cbd  
774 C4H4 Tetrahedrane c4h4  
775 H2CCCCH2 Butatriene h2cccch2  
776 C4H6 1-Methylcyclopropene c3100047  
777 C4H6 Cyclobutene c822355  
778 C4H6 Methylenecyclopropane c6142730  
779 CH2CCHCH3 1,2-Butadiene butad12  
780 CH2CHCHCH2 1,3-Butadiene c106990  
781 CH3CCCH3 2-Butyne c503173  
782 CHCCH2CH3 1-Butyne c107006  
783 C4H8 methylcyclopropane mcp  
784 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
785 CH2CHCH2CH3 1-Butene bute1  
786 CH3CHCHCH3 2-Butene, (E)- bute2e  
787 CH3CHCHCH3 2-Butene, (Z)- bute2z  
788 B(CH3)3 trimethylborane bme3  
789 Al(CH3)3 trimethyl aluminum tma  
790 C(CH3)3 Tert-butyl radical tbutyl  
791 CH2CH(CH3)2 Isobutyl radical isobutyl  
792 CH3CHCH2CH3 2-Butyl radical butyl2  
793 CH3CH(CH3)CH3 Isobutane isobutane  
794 CH3CH2CH2CH3 Butane butane  
795 SiH(CH3)3 trimethylsilane trimsi  
796 Li3N trilithium nitride li3n  
797 C2N2 Cyanogen c2n2  
798 P4 Phosphorus tetramer p4  
799 As4 Arsenic tetramer as4  
800 HCCCN Cyanoacetylene hcccn  
801 H2CNCN cyanamide, methylene ch2ncn  
802 HNCCNH Ethenediimine hnccnh  
803 C3H3N acrylonitrile ch2chcn  
804 CH3N3 methyl azide ch3n3  
805 NH2CCNH2 Diaminoacetylene daa  
806 NH2CH2CN Aminoacetonitrile aan  
807 CH3NHN2+ methyl azide, protonated ch3nhn2+  
808 C2H5CN ethyl cyanide c2h5cn  
809 CH5N3 Guanidine guanidine  
810 C4H6 Bicyclo[1.1.0]butane c157335  
811 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
812 H2NCHCHNH2 diaminoethylene dae  
813 CH6N3+ guanidinium ch6n3+  
814 C3H7N Cyclopropylamine cpram  
815 CH7N3 triaminomethane tam  
816 C3H7N Azetidine azet  
817 C4H8 cyclobutane cbutane  
818 C2H8N2 Ethylenediamine ethdiam  
819 CH3NHNHCH3 dimethyl hydrazine dmh  
820 CH3CH(NH2)CH3 2-Propanamine pram2  
821 N(CH3)3 Trimethylamine trimeam  
822 NH2CH2CH2CH3 1-Propanamine pram1  
823 P(CH3)3 trimethylphosphine tmp  
824 N(SiH3)3 trisilylamine tsa  
825 As(CH3)3 trimethyl arsine tmas  
826 (CH3)3NH+ protonated trimethyl amine ptma  
827 C3H7NH3+ n-propylamine, protonated c3h7nh2  
828 Li2O2 dilithium dioxide li2o2  
829 Na2O2 disodium dioxide na2o2  
830 K2O2 dipotassium dioxide k2o2  
831 C3O Tricarbon monoxide c3o  
832 B2O2 Diboron dioxide b2o2  
833 ONNO NO dimer onno  
834 S2N2 Disulfur dinitride s2n2  
835 CO3 Carbon trioxide co3  
836 CO3-- carbonate co3--  
837 CS3-- Carbonotrithioate cs3--  
838 NO3 Nitrogen trioxide no3  
839 NO3- nitrate anion no3-  
840 SO3 Sulfur trioxide so3  
841 SO3-- Sulfate dianion so3--  
842 SeO3 selenium trioxide seo3  
843 S4 Sulfur tetramer s4  
844 TeO3 Tellurium trioxide teo3  
845 HCO3- bicarbonate anion hco3-  
846 HNO3 Nitric acid hno3  
847 HSO3 Hydroxysulfonyl radical hso3  
848 NH2NO2 nitramide nh2no2  
849 C2H2CO cyclopropenone c2h2co  
850 C3H2O Propadienal c3h2o  
851 HCCCHO 2-propynal hcccho  
852 C2H2O2+ Ethanedial cation c2h2o2+  
853 H2CO3 Carbonic acid h2co3  
854 H2CS3 thiocarbonic acid h2cs3  
855 H2NO3+ Nitric Acid, Protonated h2no3+  
856 H2SO3 Sulfurous acid h2so3  
857 C2H3NO Nitrosoethylene c2h3no  
858 CH3NCO methylisocyante ch3nco  
859 HOCH2CN cyanomethanol hoch2cn  
860 CH3COO- acetate anion ch3coo-  
861 CH3NO2 Methane, nitro- ch3no2  
862 CH3ONO Methyl nitrite ch3ono  
863 NH2COOH Carbamic acid nh2cooh  
864 H3BO3 Boric acid h3bo3  
865 H3AlO3 Aluminum hydroxide h3alo3  
866 H3CO3+ carbonic acid, protonated h3co3+  
867 C3H4O 2-Propyn-1-ol c107197  
868 C3H4O allenol c9000071  
869 C3H4O Cyclopropanone cpone  
870 C3H4O Methylketene c6004440  
871 CH2CHCHO Acrolein c3h4o  
872 NH2CONH2 Urea urea  
873 NH2CONH2+ Urea cation urea+  
874 NH2CSNH2 Thiourea thiourea  
875 C2H4O2 1,3-dioxetane c2h4o2  
876 CH3COOH Acetic acid ch3cooh  
877 CH3OCHO methyl formate ch3ocho  
878 CHOCH2OH hydroxy acetaldehyde haa  
879 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
880 NH3COOH+ protonated Carbamic acid nh3cooh+  
881 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
882 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
883 HCOOHH2O Formic acid water dimer hcoohh2o  
884 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
885 CH2C(OH)NH2 1-amino vinyl alchohol ava  
886 CH3C(OH)=NH Ethaninidic acid eia  
887 CH3CHNOH Acetaldoxime acetaldoxime  
888 CH3CONH2 Acetamide acetamide  
889 HCONHCH3 N-methylformamide nmfa  
890 CH3CSNH2 Ethanethioamide ch3csnh2  
891 CH5N2O+ urea, N-protonated ch4n2o+  
892 H2NCOHNH2+ urea, protonated ureah+  
893 C2H5OO ethylperoxy radical c2h5oo  
894 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
895 C3H5OH Cyclopropanol cproh  
896 C3H6O 2-Propen-1-ol c107186  
897 C3H6O Acetone enol enol  
898 C3H6O Oxetane oxetane  
899 C3H6O Propylene oxide prox  
900 CH3CH2CHO Propanal propanal  
901 CH3COCH3 Acetone acetone  
902 CH3COCH3- acetone anion ch3coch3-  
903 C3H6S Thietane thietane  
904 C3H6S Thiirane, methyl- methiirane  
905 CH3CSCH3 Thioacetone ch3csch3  
906 C2H6O2 1,2-Ethanediol ethdiol  
907 CH3OOCH3 dimethylperoxide dmp  
908 CH3SOCH3 Dimethyl sulfoxide dmso  
909 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
910 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
911 CH3COHCH3+ acetone, protonated acetoneh+  
912 HOCH2CH2NH2 monoethanolamine mea  
913 C3H7OH 1-Propanol proh  
914 CH3CHOHCH3 Isopropyl alcohol isoproh  
915 CH3OC2H5 Ethane, methoxy- etome  
916 C3H7SH 1-Propanethiol prsh  
917 CH3CHSHCH3 2-Propanethiol isoprsh  
918 CH3SCH2CH3 Ethane, (methylthio)- etsme  
919 H2OCH3OCH3 water dimethylether dimer h2och3och3  
920 Li2F2 Lithium fluoride dimer li2f2  
921 Na2F2 Sodium Fluoride Dimer na2f2  
922 Na2Cl2 Disodium dichloride na2cl2  
923 C2F2 difluoroacetylene c2f2  
924 C2Cl2 dichloroacetylene c2cl2  
925 FNO2 Nitryl fluoride fno2  
926 FONO Nitrosyl hypofluorite fono  
927 ClNO2 Nitryl chloride clno2  
928 ClONO chlorine nitrite clono  
929 N2F2 (Z)-Difluorodiazene n2f2_z  
930 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
931 CF2O Carbonic difluoride f2co  
932 CCl2O Phosgene cl2co  
933 Cl2CS Thiophosgene cl2cs  
934 BF3 Borane, trifluoro- bf3  
935 AlF3 Aluminum trifluoride alf3  
936 BClF2 Chlorodifluoroborane bclf2  
937 AlF2Cl Aluminum chloride difluoride alclf2  
938 ScF3 Scandium trifluoride ScF3  
939 AlFCl2 Aluminum dichloride fluoride alcl2f  
940 BCl3 Borane, trichloro- bcl3  
941 GaF3 Gallium trifluoride gaf3  
942 AlCl3 Aluminum trichloride alcl3  
943 GaCl3 Gallium trichloride gacl3  
944 BBr3 Boron tribromide bbr3  
945 AlBr3 Aluminum Bromide albr3  
946 ClO3 Chlorine trioxide clo3  
947 ClO3- chlorate anion clo3-  
948 BrO3- Bromate anion bro3-  
949 CF3 Trifluoromethyl radical cf3  
950 SiF3 Silicon trifluoride radical sif3  
951 CCl3 Trichloromethyl radical ccl3  
952 SiCl3 trichlorosilyl radical sicl3  
953 SiCl3+ trichlorosilyl cation sicl3+  
954 CBr3 tribromomethyl radical cbr3  
955 FOOF Perfluoroperoxide foof  
956 ClO2F Chloryl fluoride clo2f  
957 F2SO Thionyl Fluoride f2so  
958 ClOOCl Dichlorine dioxide cloocl  
959 FSSF Difluorodisulfane fssf  
960 S2F2 Thio-thionyl fluoride s2f2  
961 SOCl2 thionyl chloride socl2  
962 SSCl2 Thiothionyl chloride sscl2  
963 SeOCl2 selenium oxychloride seocl2  
964 PF3 Phosphorus trifluoride pf3  
965 NCl3 nitrogen trichloride ncl3  
966 AsF3 Arsenic trifluoride asf3  
967 PCl3 Phosphorus trichloride pcl3  
968 SbF3 Antimony Trifluoride sbf3  
969 AsCl3 Arsenous trichloride ascl3  
970 SbCl3 Antimony Trichloride sbcl3  
971 NBr3 Nitrogen Tribromide nbr3  
972 PBr3 Phosphorus tribromide pbr3  
973 AsBr3 Arsenic tribromide asbr3  
974 NI3 Nitrogen triiodide ni3  
975 PI3 Phosphorus triiodide pi3  
976 ClSSCl Disulfur dichloride s2cl2  
977 ClF3 Chlorine trifluoride clf3  
978 BrF3 Bromine trifluoride brf3  
979 IF3 iodone trifluoride if3  
980 HClO3 Chloric Acid hclo3  
981 CHF3 Methane, trifluoro- chf3  
982 CHF2Cl difluorochloromethane chf2cl  
983 SiHF3 trifluorosilane sihf3  
984 CHFCl2 fluorodichloromethane chfcl2  
985 CDCl3 trichloromethane-d cdcl3  
986 CHCl3 Chloroform chcl3  
987 SiHCl3 Trichlorosilane sihcl3  
988 CHFClBr fluorochlorobromomethane chfclbr  
989 CHF2I difluoroiodomethane chf2i  
990 CHBr2F dibromofluoromethane chbr2f  
991 CHFClI fluorochloroiodomethane chfcli  
992 CHCl2I dichloroiodomethane chcl2i  
993 CHBr3 bromoform chbr3  
994 CHI3 Iodoform chi3  
995 NF3H+ protonated nitrogen trifluoride nf3h+  
996 AsF3H+ Arsenic trifluoride, protonated asf3h+  
997 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
998 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
999 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1000 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1001 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1002 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1003 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1004 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1005 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1006 C2H2Br2 1,1-dibromoethene c2h2br2  
1007 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1008 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1009 CH2FCHO Fluoroacetaldehyde ch2fcho  
1010 CH3COF Acetyl fluoride ch3cof  
1011 CH2ClCHO chloroacetaldehyde ch2clcho  
1012 CH3COCl Acetyl Chloride ch3cocl  
1013 C2H4F2 1,2-difluoroethane c2h4f2  
1014 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1015 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1016 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1017 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1018 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1019 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1020 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1021 CH2CFCH3 2-fluoropropene 2fpro  
1022 CH2CHCH2F Allyl Fluoride allylf  
1023 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1024 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1025 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1026 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1027 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1028 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1029 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1030 CH2FCH2CH3 1-Fluoropropane prf1  
1031 CH3CHFCH3 2-Fluoropropane prf2  
1032 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1033 CH3CHClCH3 Propane, 2-chloro- prcl2  
1034 CH3CH2CH2Br n-propyl bromide prbr  
1035 CH3CHBrCH3 i-propyl bromide iprbr  
1036 C3H9O+ trimethyl oxonium cation c3h9o+  
1037 B5H9 pentaborane9 b5h9  
1038 C5H4 pentatetraene ptrene  
1039 C5H5 cyclopentadienyl radical c5h5  
1040 C5H5- cylopentadienyl anion c5h5-  
1041 C5H6 1,3-Cyclopentadiene c542927  
1042 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1043 C5H6 3-Penten-1-yne, (E)- c2004695  
1044 C5H6 3-Penten-1-yne, (Z)- c1574409  
1045 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1046 C5H6 Cyclopropylacetylene c6746947  
1047 C5H6 Propellane propellane  
1048 C5H7 1,3-pentadienyl radical pdyl  
1049 C5H7 cyclopentenyl radical cpyl  
1050 C5H8 1,2-Butadiene, 3-methyl- c598254  
1051 C5H8 1,2-Pentadiene c591957  
1052 C5H8 1,3-Butadiene, 2-methyl- c78795  
1053 C5H8 1,3-Pentadiene, (E)- c2004708  
1054 C5H8 1,3-Pentadiene, (Z)- c1574410  
1055 C5H8 1,4-Pentadiene c591935  
1056 C5H8 1-pentyne a1pentyne  
1057 C5H8 2,3-Pentadiene c591968  
1058 C5H8 Bicyclo[1.1.1]pentane bcp  
1059 C5H8 Cyclobutane, methylene- c1120565  
1060 C5H8 Cyclopentene c142290  
1061 C5H8 Ethenylcyclopropane c693867  
1062 CH3CCCH2CH3 2-Pentyne 2pentyne  
1063 C5H10 1-Butene, 2-methyl- c563462  
1064 C5H10 2-Butene, 2-methyl- c513359  
1065 C5H10 2-Pentene, (E)- c646048  
1066 C5H10 2-Pentene, (Z)- c627203  
1067 C5H10 Cyclopentane c287923  
1068 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1069 CH2CHCH2CH2CH3 1-pentene pentene  
1070 C5H11 2-Methylbut-2-yl radical c4348350  
1071 C5H12 Butane, 2-methyl- buta2  
1072 C5H12 Pentane pentane  
1073 C5H12 Propane, 2,2-dimethyl- neopentane  
1074 Si(CH3)4 tetramethylsilane tms  
1075 N2O3 Dinitrogen trioxide n2o3  
1076 C3H2N2 Malononitrile c3h2n2  
1077 CH2N4 1H-Tetrazole 1htz  
1078 C3H3N2 imidazolyl radical im  
1079 C3H3N2- imidizolyl anion im-  
1080 C2H3N3 1H-1,2,4-Triazole c288880  
1081 C4H4N pyrrolide radical c4h4n  
1082 C4H4N- pyrrolide anion c4h4n-  
1083 C3H4N2 1H-Imidazole 1himidaz  
1084 C3H4N2 1H-Pyrazole 1hpyraz  
1085 C3H4N2 2H-Imidazole imid2h  
1086 C3H4N2 4H-Imidazole imid4h  
1087 C4H5N (E)-2-Butenenitrile c627269  
1088 C4H5N (Z)-2-Butenenitrile c1190767  
1089 C4H5N 2H-pyrrole pyrrole2  
1090 C4H5N 3H-pyrrole pyrrole3  
1091 C4H5N Cyclopropanecarbonitrile c5500210  
1092 C4H5N Pyrrole pyrrole  
1093 CH2CHCH2CN Allylcyanide ch2chch2cn  
1094 C4H6N+ pyrrole, alpha-protonated appyr  
1095 C4H6N+ pyrrole, beta-protonated bppyr  
1096 C4H6N+ pyrrole, protonated ppyr  
1097 C3H6N2 3-Aminopropionitrile c151188  
1098 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1099 CH3CH2CH2CN Butanenitrile c109740  
1100 C5H8 Bicyclo[2.1.0]pentane c185944  
1101 C5H8 Spiropentane c157404  
1102 C4H9N Cyclobutylamine cbam  
1103 C4H9N Pyrrolidine pyrrolidine  
1104 C3H10N2 1,2-Diaminopropane diampr12  
1105 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1106 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1107 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1108 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1109 NH(C2H5)2 diethylamine dea  
1110 NC4H12+ tetramethyl ammonium cation nc4h12+  
1111 C3O2 Carbon suboxide c3o2  
1112 B2O3 diboron trioxide b2o3  
1113 MgCO3 Magnesium Carbonate mgco3  
1114 BeCO3 Beryllium Carbonate beco3  
1115 CaCO3 Calcium Carbonate caco3  
1116 ONONO Nitrosyl nitrite onono  
1117 PO4--- phosphate po4---  
1118 SO4-- sulfate so4--  
1119 HOONO2 peroxy nitric acid hoono2  
1120 HSO4- bisulfate anion hso4-  
1121 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1122 C3H2O2 Propiolic acid c3h2o2  
1123 CHOCOOH oxo acetic acid oaa  
1124 CHOOCHO diformyl ether choocho  
1125 H2SO4 Sulfuric acid h2so4  
1126 H2SeO4 Selenic acid h2seo4  
1127 C3H3NO Isoxazole isox  
1128 C3H3NO Oxazole oxazole  
1129 C3H3NS Thiazole thiazole  
1130 CH3C(O)OO acetyl peroxy radical ch3coo2  
1131 CH3NO3 Methyl nitrate ch3no3  
1132 H3PO4 Phosphoric Acid h3po4  
1133 C4H4O Furan furan  
1134 C4H4O+ Furan cation furan+  
1135 CH3COCCH 3-butyn-2-one c1423605  
1136 C4H4S Thiophene furans  
1137 C4H4Se selenophene c4h4se  
1138 C3H4O2 β–Propiolactone beta  
1139 C3H4O2 2-Propenoic acid propenoic2  
1140 C3H4O2 Methyl glyoxal megly  
1141 C3H4O2 propanedial propanedial  
1142 C3H4O2 propenalol propenalol  
1143 HOCHCCHOH allenediol aldiol  
1144 C2H4O3 1,2,3-trioxolane c2h4o3  
1145 C2H4O3 trioxolane124 triox  
1146 HOCH2COOH Hydroxyacetic acid hac  
1147 CH2CHCONH2 Acrylamide c79061  
1148 CH3OCH2CN Methoxyacetonitrile c1738369  
1149 CH5N3S Hydrazinecarbothioamide c79196  
1150 H2NCH2COOH Glycine glycine  
1151 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1152 C4H6O cis-2-butenal butenal2c  
1153 C4H6O Cyclobutanone cbutone  
1154 C4H6O Furan, 2,3-dihydro- furan23h  
1155 C4H6O Furan, 2,5-dihydro- furan25h  
1156 CH2CHOCHCH2 Vinyl ether vinylether  
1157 CHOCHCHCH3 2-Butenal butenal2  
1158 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1159 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1160 CH2CHSCHCH2 Divinyl sulfide divis  
1161 C2H6N2O Urea, methyl- c598505  
1162 C3H6O2 1,3-Dioxolane dioxolane  
1163 CH3CH2COOH Propanoic Acid propanoic  
1164 CH3COOCH3 methyl acetate aame  
1165 HCOOC2H5 Ethyl formate faee  
1166 C2H6O2S Dimethyl sulfone c67710  
1167 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1168 C3H7NO dimethylformamide dmf  
1169 C3H7NO Propanamide propanam  
1170 C2H3OC2H5 Ethene, ethoxy- c109922  
1171 C4H8O Cyclobutanol c2919235  
1172 C4H8O Furan, tetrahydro- thf  
1173 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1174 CH3COCH2CH3 2-Butanone buta2one  
1175 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1176 CHOCH2CH2CH3 Butanal butanal  
1177 C4H8S Thiophene, tetrahydro- tht  
1178 C3H8O2 1,3-Propanediol c504632  
1179 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1180 C3H8O2 Methane, dimethoxy- c109875  
1181 C3H8O2 Propylene glycol c57556  
1182 C3H8S2 1,3-Propanedithiol c109808  
1183 C4H10O 1-Butanol butanol1  
1184 C4H10O 1-Propanol, 2-methyl- c78831  
1185 C4H10O 2-Butanol, (.+/-.)- butanol2  
1186 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1187 C4H10O Ethoxy ethane etoet  
1188 C4H10O Methyl propyl ether meopr  
1189 C4H10O Propane, 2-methoxy- c598538  
1190 C4H10O+ 1-Butanol cation butanol1+  
1191 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1192 C2H5SC2H5 Diethyl sulfide etset  
1193 C4H9SH 1-Butanethiol bush  
1194 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1195 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1196 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1197 FNO3 Fluorine nitrate fno3  
1198 ClONO2 Chlorine nitrate clono2  
1199 BrONO2 Bromine nitrate brono2  
1200 TiCl4 Titanium tetrachloride ticl4  
1201 ClO4- perchlorate anion clo4-  
1202 BF4- tetrafluoroboron anion bf4-  
1203 ClFO3 Perchloryl fluoride clfo3  
1204 SO2F2 Sulfuryl fluoride so2f2  
1205 SO2Cl2 Sulfuryl chloride so2cl2  
1206 F3NO Nitrogen trifluoride oxide f3no  
1207 F3PO Phosphoryl fluoride pf3o  
1208 Cl3PO Phosphoryl chloride pcl3o  
1209 CF4 Carbon tetrafluoride cf4  
1210 CF3Cl Methane, chlorotrifluoro- cf3cl  
1211 SiF4 Silicon tetrafluoride sif4  
1212 CF2Cl2 difluorodichloromethane cf2cl2  
1213 TiF4 Titanium tetrafluoride tif4  
1214 CFCl3 Trichloromonofluoromethane cfcl3  
1215 CF3Br Bromotrifluoromethane cf3br  
1216 GeF4 Germanium tetrafluoride gef4  
1217 CCl4 Carbon tetrachloride ccl4  
1218 CCl4+ Carbon tetrachloride cation ccl4+  
1219 SiCl4 Silane, tetrachloro- sicl4  
1220 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1221 CF3I trifluoroiodomethane cf3i  
1222 CBrCl3 Methane, bromotrichloro- cbrcl3  
1223 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1224 GeCl4 Germanium Tetrachloride gecl4  
1225 CBr2ClF dibromochlorofluoromethane cbr2clf  
1226 CBr2Cl2 dibromodichloromethane cbr2cl2  
1227 CCl3I trichloroiodomethane ccl3i  
1228 CFBr3 fluorotribromomethane cfbr3  
1229 CFClBrI fluorochlorobromoiodomethane cfclbri  
1230 CBr3Cl tribromochloromethane cbr3cl  
1231 CF2I2 difluorodiiodomethane cf2i2  
1232 CBr4 Carbon tetrabromide cbr4  
1233 CCl2I2 dichlorodiiodomethane ccl2i2  
1234 SiBr4 Silicon tetrabromide sibr4  
1235 CBr3I tribromoiododmethane cbr3i  
1236 GeBr4 Germanium tetrabromide gebr4  
1237 CI4 tetraiodomethane ci4  
1238 SiI4 silicon tetraiodide sii4  
1239 ClOF3 Chlorine trifluoride oxide clof3  
1240 SF4 Sulfur tetrafluoride sf4  
1241 SeF4 Selenium tetrafluoride sef4  
1242 SCl4 Sulfur tetrachloride scl4  
1243 C2HF3 Trifluoroethylene c2hf3  
1244 CHClCCl2 Trichloroethylene chclccl2  
1245 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1246 HClO4 perchloric acid hclo4  
1247 HSO3F Fluorosulfonic acid hso3f  
1248 CF3OH trifluoromethanol cf3oh  
1249 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1250 CHClCCHCl 1,3-dichloroallene chclcchcl  
1251 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1252 CHCl2CHO dichloroacetaldehyde chcl2cho  
1253 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1254 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1255 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1256 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1257 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1258 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1259 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1260 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1261 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1262 NH3BCl3 Amminetrichloroboron nh3bcl3  
1263 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1264 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1265 C3H5ClO Oxirane, (chloromethyl)- c106898  
1266 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1267 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1268 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1269 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1270 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1271 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1272 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1273 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1274 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1275 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1276 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1277 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1278 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1279 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1280 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1281 C4H9F 1-fluorobutane butaf1  
1282 CH3CHFCH2CH3 2-fluorobutane butaf2  
1283 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1284 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1285 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1286 XeF4 Xenon tetrafluoride xef4  
1287 C2H2N2O Furazan furazan  
1288 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1289 NH3BF3 Amminetrifluoroboron nh3bf3  
1290 C6H2 hexatriyne c6h2  
1291 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1292 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1293 C6H4 Benzyne benzyne  
1294 C6H5 phenyl phenyl  
1295 C6H5- phenyl anion phenyl-  
1296 C6H6 Prismane prismane  
1297 C6H6 1,2,4,5-Hexatetraene ht1245  
1298 C6H6 2,4-Hexadiyne hexadiyne  
1299 C6H6 3,4-Dimethylenecyclobutene cb34m  
1300 C6H6 Benzene benzene  
1301 C6H6 Benzvalene bv  
1302 C6H6 Dewar Benzene dewar  
1303 C6H6 Hexa-1,5-diene-3-yne hdy153  
1304 C6H6 Trimethylenecycopropane tmcp  
1305 C6H6+ Benzene cation c6h6+  
1306 C6H7+ benzene, protonated c6h7+  
1307 C6H8 (E)-hexa-1,3,5-triene c821078  
1308 C6H8 (E)-hexa-2,3,4-triene c59660650  
1309 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1310 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1311 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1312 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1313 C6H8 3-Methylenecyclopentene c930267  
1314 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1315 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1316 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1317 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1318 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1319 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1320 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1321 C6H10 1,5-Hexadiene c592427  
1322 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1323 C6H10 1-Hexyne hexyne1  
1324 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1325 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1326 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1327 C6H10 2-Hexyne c764352  
1328 C6H10 3-Hexyne hexyne3  
1329 C6H10 cyclohexene cyclohexene  
1330 C6H10 Cyclopentene, 1-methyl- c693890  
1331 C6H10 Cyclopentene, 3-methyl- c1120623  
1332 C6H10 Cyclopentene, 4-methyl- c1759815  
1333 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1334 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1335 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1336 C6H12 (E)-2-Hexene e2hexene  
1337 C6H12 (E)-3-methylpent-2-ene c616126  
1338 C6H12 (E)-hex-3-ene e3hexene  
1339 C6H12 (Z)-3-methylpent-2-ene c922623  
1340 C6H12 (Z)-hex-2-ene z2hexene  
1341 C6H12 (Z)-hex-3-ene z3hexene  
1342 C6H12 2,3-dimethylbut-1-ene c563780  
1343 C6H12 2,3-dimethyl-but-2-ene tmeet  
1344 C6H12 3-methylenepentane c760214  
1345 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1346 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1347 C6H12 Cyclohexane cyclohexane  
1348 C6H12 Cyclopentane, methyl- c96377  
1349 C6H12 Ethylcyclobutane c4806615  
1350 C6H12 hex-1-ene hexene1  
1351 C6H14 Butane, 2,2-dimethyl- buta22  
1352 C6H14 Butane, 2,3-dimethyl- buta23  
1353 C6H14 Hexane hexane  
1354 C6H14 Pentane, 2-methyl- penta2  
1355 C6H14 Pentane, 3-methyl- penta3  
1356 C4N2 2-Butynedinitrile c4n2  
1357 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1358 C4H2N2 Fumaronitrile c4h2n2  
1359 C2H2N4 sym-tetrazine ttz  
1360 C3H3N3 1,3,5-Triazine triazine135  
1361 CH3N5 5-Aminotetrazole c4418615  
1362 C4H4N2 1,3-Diazine diazine13  
1363 C4H4N2 Pyrazine pyrazine  
1364 C4H4N2 Pyridazine pyridazine  
1365 C4H4N2 Succinonitrile c110612  
1366 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1367 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1368 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1369 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1370 C5H5N E-2,4-pentadienenitrile bdcn  
1371 C5H5N Pyridine pyridine  
1372 B3N3H6 borazine borazine  
1373 C6H6 Fulvene fulvene  
1374 C5H6N+ Pyridinium c5h6n  
1375 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1376 C5H7N (E)-2-Pentenenitrile c26294984  
1377 C5H7N (E)-3-Pentenenitrile c16529661  
1378 C5H7N (Z)-2-Pentenenitrile c25899507  
1379 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1380 C5H7N Cyclobutanecarbonitrile c4426113  
1381 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1382 C5H9N Butanenitrile, 2-methyl- c18936179  
1383 C5H9N Pentanenitrile c110598  
1384 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1385 C6H10 Bicyclo[3.1.0]hexane c285585  
1386 C5H11N Cyclopentanamine cypentam  
1387 C5H11N Piperidine piper  
1388 C4H12N2 1,2-Butanediamine c4426486  
1389 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1390 Li2CO3 Lithium Carbonate li2co3  
1391 Na2CO3 Sodium Carbonate na2co3  
1392 C2O4-- oxalate anion c2o4  
1393 MgSO4 Magnesium Sulfate mgso4  
1394 N2O4 Dinitrogen tetroxide n2o4  
1395 C3H2O3 vinylene carbonate vica  
1396 C2H2O4 Oxalic Acid oxalic  
1397 C2H3NO3 Oxamic acid oxamic  
1398 C4H4O2 2(5H)-Furanone furanone  
1399 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1400 C2H4N2O2 Oxalamide oxalamide  
1401 C2H4N2S2 Ethanedithioamide c79403  
1402 C2H4CO3 Ethylene carbonate etco3  
1403 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1404 C3H4S3 1,3-Dithiolane-2-thione c822388  
1405 C2H4O4 Formic acid dimer fadimer  
1406 C4H5NO 3-Methylisoxazole isox3m  
1407 C4H5NO Isoxazole, 5-methyl- c5765446  
1408 C4H5NS 4-Methylthiazole c693958  
1409 C2H5NO3 Nitric acid, ethyl ester c625581  
1410 C5H6O 2H-Pyran pyran2  
1411 C5H6O 2-methylfuran furan2m  
1412 C5H6O 3-Methylfuran furan3m  
1413 C5H6O Pentadienal pdal  
1414 C5H6S Thiophene, 2-methyl- c554143  
1415 C5H6S Thiophene, 3-methyl- c616444  
1416 C4H6O2 γ–Butyrolactone c96480  
1417 C4H6O2 2,3-Butanedione c431038  
1418 C4H6O2 2-Propenoic acid, methyl ester c96333  
1419 C4H6O2 Crotonic Acid crot  
1420 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1421 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1422 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1423 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1424 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1425 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1426 C4H6OS Vinyl sulfoxide c1115157  
1427 CH6N4S Carbonothioic dihydrazide thiacarb  
1428 C2H6N2O2 (E)-Azodioxymethane c37765154  
1429 C2H6N2O2 Dimethylnitroamine c4164287  
1430 C3H6O3 1,3,5-Trioxane trioxane  
1431 C3H6S3 1,3,5-Trithiane c3h6s3  
1432 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1433 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1434 C4H7NO 2-Pyrrolidinone c616455  
1435 C4H7NO Ethoxyacetonitrile etoaccn  
1436 C4H7NO Methacrylamide c79390  
1437 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1438 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1439 C3H7ONO Propyl nitrite prono  
1440 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1441 CH3CH(NH2)COOH Alanine alanine  
1442 CH3NHCH2COOH Sarcosine sarcosine  
1443 NH2CH2CH2COOH β–alanine betaalanine  
1444 NH2COOC2H5 Urethane urethane  
1445 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1446 C5H8O Cyclopentanone c120923  
1447 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1448 C5H8O Methyl cyclopropyl ketone c765435  
1449 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1450 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1451 NH2CONHC2H5 Urea, ethyl- c625525  
1452 C4H8O2 1,3-Dioxane dioxan13  
1453 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1454 C4H8O2 1,4-Dioxane dioxan14  
1455 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1456 C4H8O2 Ethyl acetate c141786  
1457 C4H8OS s-Ethyl thioacetate c625605  
1458 C3H8O3 1,2,3-Propanetriol glycerin  
1459 C3H8O2S (Methylsulfonyl)ethane c594434  
1460 C4H9NO Butanamide c541355  
1461 C4H9NO Propanamide, 2-methyl- c563837  
1462 C5H10O 2-Butanone, 3-methyl- c563804  
1463 C5H10O 2H-Pyran, tetrahydro- c142687  
1464 C5H10O 2-methylbutyraldehyde 2meba  
1465 C5H10O 2-Pentanone mpk  
1466 C5H10O 3-Pentanone dek  
1467 C5H10O Cyclopentanol c96413  
1468 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1469 C5H10O Pentanal pal  
1470 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1471 C5H10S 3-Ethylthio-1-propene c5296628  
1472 C5H10S Cyclopentanethiol c1679078  
1473 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1474 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1475 C4H10O2 1,1-Dimethoxyethane c534156  
1476 C4H10O2 1,3-Butanediol budiol13  
1477 C4H10O2 1,4-Butanediol budiol14  
1478 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1479 C4H10OS Diethyl sulfoxide c70291  
1480 C4H10S2 1,4-Butanedithiol budisl14  
1481 C4H11NO Diethylhydroxylamine c3710847  
1482 C5H12O 1-Butanol, 2-methyl- c137326  
1483 C5H12O 1-Butanol, 3-methyl- c123513  
1484 C5H12O 1-Pentanol pentanol1  
1485 C5H12O 2-Butanol, 3-methyl- c598754  
1486 C5H12O 2-Pentanol peol2  
1487 C5H12O 3-Pentanol pentan3ol  
1488 C5H12O Butane, 1-methoxy- meobu  
1489 C5H12O Propane, 1-ethoxy- proet  
1490 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1491 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1492 C5H12S 1-Butanethiol, 3-methyl- c541311  
1493 C5H12S 1-Pentanethiol c110667  
1494 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1495 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1496 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1497 C5H12S Butane, 1-(methylthio)- c628295  
1498 C5H12S Ethyl propyl sulfide c4110503  
1499 C5H12S Propane, 2-(ethylthio)- c5145993  
1500 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1501 C4F2 difluorobutadiyne c4f2  
1502 ClCOClCO Oxalyl chloride oxcl  
1503 CF3CN Acetonitrile, trifluoro- cf3cn  
1504 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1505 B2F4 Diboron tetrafluoride b2f4  
1506 B2Cl4 Diboron tetrachloride b2cl4  
1507 C2F4 Tetrafluoroethylene c2f4  
1508 C2F4+ Tetrafluoroethylene cation c2f4+  
1509 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1510 CF2CCl2 difluorodichloroethylene cf2ccl2  
1511 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1512 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1513 C2FCl3 fluorotrichloroethene c2fcl3  
1514 C2Cl4 Tetrachloroethylene c2cl4  
1515 C2Br4 tetrabromoethene c2br4  
1516 CF3OF Trifluoromethylhypofluorite cf3of  
1517 SiF5- silicon pentafluoride anion sif5-  
1518 SOF4 Sulfur tetrafluoride oxide sof4  
1519 PF5 Phosphorus pentafluoride pf5  
1520 AsF5 Arsenic pentafluoride asf5  
1521 PCl5 Phosphorus pentachloride pcl5  
1522 SF5+ pentafluoro sulfur cation sf5+  
1523 SbCl5 Antimony pentachloride sbcl5  
1524 BrF5 bromine pentafluoride brf5  
1525 ClF5 chlorinepentafluoride clf5  
1526 IF5 pentafluoroiodine if5  
1527 CF3CHO trifluoroacetaldehyde cf3cho  
1528 CCl3CHO trichloroacetaldehyde ccl3cho  
1529 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1530 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1531 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1532 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1533 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1534 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1535 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1536 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1537 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1538 CF3COOH trifluoroacetic acid cf3cooh  
1539 C4H3ClO Furan, 2-chloro fur2cl  
1540 C4H3ClO Furan,3-chloro fur3cl  
1541 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1542 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1543 C4H8Cl2 1,4-Dichlorobutane c110565  
1544 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1545 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1546 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1547 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1548 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1549 C5H11Cl Pentane, 1-chloro- pencl1  
1550 C4H8O2 Butanoic acid bua  
1551 C6H5CH2 benzyl radical benzyl  
1552 C7H7+ cycloheptatrienyl cation c7h7+  
1553 C6H5CH3 toluene toluene  
1554 C7H8 cycloheptatriene cht  
1555 C7H8 Norbornadiene norbor  
1556 C7H8 Quadricyclane qucy  
1557 C7H12 Norbornane nor  
1558 C7H14 cycloheptane c7h14  
1559 C7H16 2-methylhexane 2mhex  
1560 C7H16 3-methylhexane hex3m  
1561 C7H16 heptane heptane  
1562 CH(CN)3 tricyanomethane mecn3  
1563 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1564 C6H7N 2-Methylpyridine mp  
1565 C6H5NH2 aniline aniline  
1566 C6H13N 2-Methylpiperidine pip2m  
1567 C6H15N triethylamine tea  
1568 N2O5 Dinitrogen pentoxide n2o5  
1569 C4H2O3 Maleic Anhydride malan  
1570 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1571 C5H4O2 furfural furfural  
1572 C6H5O phenoxy radical phenoxy  
1573 C5H5NO 2(1H)-Pyridinone c72762006  
1574 C5H5NO 2(3H)-Pyridinone c9000048  
1575 C5H5NO 2(5H)-Pyridinone c9000037  
1576 C5H5NO 2-Pyridinol c109104  
1577 C5H5NO 3(2H)-Pyridinone c9000004  
1578 C5H5NO 3(4H)-Pyridinone c9000026  
1579 C5H5NO 3(6H)-Pyridinone c9000015  
1580 C5H5NO 3-Pyridinol c109002  
1581 C5H5NO 4(1H)-Pryidinone c9000060  
1582 C5H5NO 4(3H)-Pryidinone c9000059  
1583 C5H5NO 4-Pyridinol c626642  
1584 C6H5OH phenol phenol  
1585 C6H6O 2,4-Cyclohexadienone c24599573  
1586 C6H6O 2,5-Cyclohexadienone c5664335  
1587 C6H5SH Benzenethiol phsh  
1588 HO2CCHNH2CH2OH Serine serine  
1589 C5H8O2 Acetylacetone acac  
1590 C4H8O2S Sulfolane sulfolane  
1591 C7H10 Norbornene norbornene  
1592 CH(C2H3)3 trivinyl methane tvm  
1593 C6H10O cyclohexanone chexo  
1594 C6H12O hexanal c6h12o  
1595 C6H12O Oxepane oxepane  
1596 C3H7OC3H7 di-n-propyl ether propr  
1597 F2CCCF2 tetrafluoroallene pfa  
1598 CF3COO- trifluoro acetate anion cf3coo-  
1599 CF3COF trifluoroacetyl fluoride cf3cof  
1600 CF3COCl trifluoroacetyl chloride cf3cocl  
1601 PF6 Hexafluorophosphate neutral pf6  
1602 PF6- Hexafluorophosphate ion pf6-  
1603 SF6 Sulfur Hexafluoride sf6  
1604 SeF6 Selenium hexafluoride sef6  
1605 SF5Cl sulfur chloropentafluoride sf5cl  
1606 CF3CHF2 pentafluoroethane cf3chf2  
1607 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1608 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1609 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1610 CCl3CHCl2 pentachloroethane ccl3chcl2  
1611 C6H5F Fluorobenzene bzf  
1612 C6H5Cl chlorobenzene bzcl  
1613 C6H5Br bromobenzene bzbr  
1614 C8H6 Calicene calicene  
1615 C6H5CCH phenylacetylene phac  
1616 C8H6 benzocyclobutadiene bcbd  
1617 C8H6 Pentalene pentalene  
1618 C6H5CHCH2 Styrene styrene  
1619 C8H8 cubane cubane  
1620 C8H8 cyclooctatetraene cot  
1621 C6H5CH2CH3 Ethylbenzene etbz  
1622 CH3C6H4CH3 meta-xylene mxylene  
1623 CH3C6H4CH3 paraxylene pxylene  
1624 C8H14 Bicyclo[2.2.2]octane bico222  
1625 C8H16 cyclooctane cyclooct  
1626 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1627 C8H18 Octane c8h18  
1628 C6H5CN phenyl cyanide phcn  
1629 C6H12N2 Triethylenediamine ted  
1630 C4O4-- squarate dianion c4o4--  
1631 S4N4 Tetrasulfur tetranitride s4n4  
1632 S8 Octasulfur s8  
1633 C6H4O2 parabenzoquinone pbq  
1634 C4H4N2O2 Uracil uracil  
1635 C6H5CHO benzaldehyde benzal  
1636 C6H5OCH3 Anisole anisole  
1637 C5H9NO2 Proline proline  
1638 C6H12O2 Hexanoic acid hexa  
1639 C4F4 tetrafluorcyclobutadiene c4f4  
1640 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1641 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1642 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1643 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1644 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1645 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1646 C2F6 hexafluoroethane c2f6  
1647 C2Cl6 hexachloroethane c2cl6  
1648 IF7 Iodine heptafluoride if7  
1649 C6H4F2 metadifluorobenzene mdfb  
1650 C6H4F2 orthodifluorobenzene odfb  
1651 C6H4F2 1,4-difluorobenzene pdfb  
1652 C6H4Cl2 1,2-dichlorobenzene dcb12  
1653 C6H4Cl2 1,3-dichlorobenzene dcb13  
1654 C6H4Cl2 1,4-dichlorobenzene dcb14  
1655 C6H5NO nitrosobenzene bzno  
1656 C9H8 Indene indene  
1657 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1658 C9H12 n-propyl benzene prbz  
1659 C9H20 Nonane nonane  
1660 C(CN)4 tetracyanomethane c5n4  
1661 C5H4N4 purine purine  
1662 C8H7N Indole indole  
1663 C3H3N3O3 cyanuric acid cyanuric  
1664 C6H5NO2 Nitrobenzene c6h5no2  
1665 C6H5COOH benzoic acid benzo  
1666 CH3COC6H5 acetophenone acph  
1667 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1668 C3F6 hexafluoropropene c3f6  
1669 C6H3F3 Benzene trifluoride 123 bzf3a  
1670 C8H18O 1-Octanol octanol  
1671 C10H8 Azulene azu  
1672 C10H8 naphthalene naph  
1673 C10H10 bullvalene bullv  
1674 C10H16 adamantane adamantane  
1675 C6N4 Tetracyanoethylene tcne  
1676 C6N4- tetracyanoethylene anion tcne-  
1677 C10H22 Decane decane  
1678 C4F6 perfluorobutadiene c4f6  
1679 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1680 C3F8 perfluoropropane c3f8  
1681 Fe(CO)5 Iron pentacarbonyl ipc  
1682 Fe(C5H5)2 ferrocene fecp2  
1683 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1684 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1685 C12H8 Acenaphthylene acenaph  
1686 C12H8 biphenylene biph  
1687 C12H10 biphenyl biphenyl  
1688 C12H10 Heptalene heptalene  
1689 C6H12O6 Inositol inositol  
1690 C6F6 hexafluorobenzene c6f6  
1691 S2F10 disulphur decafluoride s2f10  
1692 C13H10 Fluorene fluorene  
1693 C14H10 Anthracene anth  
1694 C14H10 Phenanthrene phenanthrene  
1695 C14H14 Bibenzyl bibenzyl  
1696 C12H10N2 azobenzene azobenzene  
1697 C6H5COC6H5 benzophenone benzophenone  
1698 C16H10 Pyrene pyrene  
1699 C18H12 Tetracene tetracene  
1700 C19H16 Triphenylmethane tpm  
1701 C24H12 Coronene coronene  
1702 C60 Buckminsterfullerene c60