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List of which calculations are completed at CCSD /aug-cc-pVDZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H+ Hydrogen atom cation  Kh
4 H2 Hydrogen diatomic 1ΣgD∞h
5 H2- hydrogen diatomic anion 2Σu+D∞h
6 H2+ Hydrogen cation 2Σg+D∞h
7 He Helium atom 1SKh
8 He Helium atom   
9 He+ Helium atom cation 2SKh
10 HeH+ Helium hydride cation 1ΣC∞v
11 He2+ helium diatomic cation 2ΣuD∞h
12 Li Lithium atom 2SKh
13 Li- Lithium atom anion 1SKh
14 Na Sodium atom 2SKh
15 LiH Lithium Hydride 1ΣC∞v
16 LiH+ lithium hydride cation 2ΣC∞v
17 NaH sodium hydride 1ΣC∞v
18 NaH+ sodium hydride cation 2ΣC∞v
19 Be Beryllium atom 1SKh
20 Be+ Beryllium atom cation 2SKh
21 Mg Magnesium atom 1SKh
22 Mg+ Magnesium atom cation 2SKh
23 BeH beryllium monohydride 2ΣC∞v
24 MgH magnesium monohydride 2ΣC∞v
25 TiH Titanium monohydride 4ΦC∞v
26 ZnH+ Zinc, protonated   
27 BeH2 beryllium dihydride 1ΣgD∞h
28 BeH2+ Beryllium dihydride cation 2ΣC∞v
29 BeH2+ Beryllium dihydride cation 2ΣuD∞h
30 BeH2+ Beryllium dihydride cation   
31 MgH2 magnesium dihydride 1ΣgD∞h
32 B Boron atom 2PKh
33 B Boron atom 4PKh
34 B+ Boron atom cation 1SKh
35 Al Aluminum atom 2PKh
36 Al- Aluminum atom anion 3PKh
37 Al+ Aluminum atom cation 1SKh
38 Sc Scandium atom 2DKh
39 Sc+ Scandium cation 3DKh
40 Ga Gallium atom 2P 
41 Ga- Gallium atom anion 3POh
42 Ga+ Gallium atom cation 1S 
43 BH Boron monohydride 1ΣC∞v
44 BH Boron monohydride 3ΠC∞v
45 BH- boron monohydride anion 4ΣC∞v
46 ScH Scandium monohydride 1ΣC∞v
47 ScH+ Scandium monohydride cation 2ΣC∞v
48 GaH Gallium monohydride 1ΣC∞v
49 GaH+ Gallium monohydride cation 2ΣC∞v
50 BH2- boron dihydride anion 3B1C2v
51 BH2- boron dihydride anion 1A1C2v
52 BH2+ Boron dihydride cation 1ΣgD∞h
53 BH3 boron trihydride 1A1'D3h
54 BH3+ boron trihydride cation 2B2C2v
55 BH3+ boron trihydride cation  C2v
56 AlH3 aluminum trihydride 1A1'D3h
57 AlH3- aluminum trihydride anion  C3v
58 ScH3 Scandium trihydride 1A1'D3h
59 ScH3 Scandium trihydride 1A1C3v
60 GaH3 Gallium trihydride 1A1'D3h
61 BH4 borohydride 2B2C2v
62 BH4- borohydride anion 1A1Td
63 C Carbon atom 3P0Kh
64 C Carbon atom 3P1Kh
65 C- Carbon atom anion 2DKh
66 C+ Carbon atom cation 2PKh
67 Si Silicon atom 3PKh
68 Si Silicon atom 1SKh
69 Si- Silicon atom anion 4SKh
70 Si+ Silicon atom cation 2PKh
71 Ge Germanium atom 3PKh
72 Ge- Germanium anion 4SKh
73 Ge+ Germanium cation 2PKh
74 CH Methylidyne 2Π1/2C∞v
75 SiH Silylidyne 2ΠC∞v
76 SiH- silicon monohydride anion 3ΣC∞v
77 SiH+ silicon monohydride cation 1ΣC∞v
78 GeH germylidene 2ΠC∞v
79 GeH+ Germaniun monohyrdide cation 1ΣC∞v
80 CH2 Methylene 3B1C2v
81 CH2 Methylene 3ΣGD∞h
82 CH2 Methylene 1A1C2v
83 CH2- methylene anion 2B1C2v
84 CH2+ methylene cation 2A1C2v
85 CH2+ methylene cation 2ΠD∞h
86 SiH2 silicon dihydride 3B1C2v
87 GeH2 germylene 1A1C2v
88 GeH2- germylene anion 2B1C2v
89 CH3 Methyl radical 2A1D3h
90 CH3- methyl anion 1A1C3v
91 CH3+ methyl cation 1A1'D3h
92 SiH3 Silyl radical 2A1C3v
93 SiH3+ Silyl cation 1A1'D3h
94 GeH3 Germyl radical 2A1C3v
95 GeH3+ germyl cation 1A1'D3h
96 CD4 methane-d4 1A1Td
97 CH2D2 methane-d2 1A1C2v
98 CH3D methane-d 1A1C3v
99 CH4 Methane 1A1Td
100 CH4- Methane anion 2A1Td
101 CH4- Methane anion 2A1C3v
102 CHD3 methane-d3 1A1C3v
103 SiH2D2 silane-d2   
104 SiH4 Silane 1A1Td
105 GeH4 Germane 1A1Td
106 SiH5+ Silane, protonated   
107 N Nitrogen atom 4SKh
108 N+ Nitrogen atom cation 3PKh
109 P Phosphorus atom 4SKh
110 V Vanadium atom 4FKh
111 V+ Vanadium atom cation 5DKh
112 As Arsenic atomic 4SKh
113 As- Arsenic anion 3PKh
114 As+ Arsenic cation 3PKh
115 PH phosphorus monohydride 3Σ-C∞v
116 AsH Arsenic monohydride 3ΣC∞v
117 AsH Arsenic monohydride 1ΣC∞v
118 AsH+ Arsenic monohydride cation 2ΠC∞v
119 NH2 Amino radical 2B1C2v
120 NH2+ Amino cation 3B1C2v
121 NH2+ Amino cation 1A1C2v
122 AsH2+ Arsenic dihydride cation 1A1C2v
123 NH3 Ammonia 1A1C3v
124 NH3- Ammonia anion 2A1C3v
125 NH3+ ammonia cation 2A2"D3h
126 PH3 Phosphine 1A1C3v
127 PH3+ Phosphine cation 2A1C3v
128 AsH3 Arsine 1A1C3v
129 AsH3+ Arsine cation 2A1C3v
130 AsH4+ Arsonium   
131 NH4 Ammonium radical   
132 NH4+ ammonium cation 1A1Td
133 PH4 Phosphoranyl radical   
134 PH4+ phosphonium cation   
135 O Oxygen atom 3SKh
136 O+ Oxygen atom cation 4SKh
137 S Sulfur atom 3PKh
138 S Sulfur atom   
139 S- Sulfur atom anion 2PKh
140 S+ Sulfur atom cation 4SKh
141 Se Selenium atom 3PKh
142 Se- Selenium atom anion 2PKh
143 Se+ Selenium atom cation 4SKh
144 OH Hydroxyl radical 2ΠC∞v
145 OH- hydroxide anion 1ΣC∞v
146 OH+ hydoxyl cation 3ΣC∞v
147 HS Mercapto radical 2ΠC∞v
148 HS- mercapto anion 1ΣC∞v
149 HS+ sulfur monohydride cation 3ΣC∞v
150 CrH Chromium hydride 6ΣC∞v
151 CrH+ Chromium hydride cation 5ΣC∞v
152 HSe Selenium monohydride 2ΠC∞v
153 HSe- selenium monohydride anion 1ΣC∞v
154 HSe+ selenium monohydride cation 3ΣC∞v
155 H2O Water 1A1C2v
156 H2O- water anion 2A1C2v
157 H2O- water anion 2A'Cs
158 H2O+ water cation 2B1C2v
159 HDO Water-d1 1A1C2v
160 H2S Hydrogen sulfide 1A1C2v
161 H2S- Hydrogen sulfide anion 2A'Cs
162 H2S+ Hydrogen sulfide cation 2B1C2v
163 H2Se Hydrogen selenide 1A1C2v
164 H2Se+ Hydrogen selenide cation 2B1C2v
165 H3O+ hydronium cation 1A1C3v
166 H3S+ Sulfonium cation 1A1C3v
167 H3Se+ Hydrogen Selenide, protonated 1A1C3v
168 F Fluorine atom 2PKh
169 F- Fluorine atom anion 1SKh
170 F+ Fluorine atom cation 3SKh
171 F+ Fluorine atom cation 1DKh
172 Cl Chlorine atom 2PKh
173 Cl- Chlorine atom anion 1SKh
174 Cl+ Chlorine atom cation 3PKh
175 Cl+ Chlorine atom cation 1DKh
176 Br Bromine atom 2PKh
177 Br- Bromine atom anion 1SKh
178 Br+ Bromine atom cation 3PKh
179 HF Hydrogen fluoride 1ΣC∞v
180 HF- hydrogen fluoride anion 2ΣC∞v
181 HF+ hydrogen fluoride cation 2ΠC∞v
182 HCl Hydrogen chloride 1ΣC∞v
183 HCl- hydrogen chloride anion 2ΣC∞v
184 HCl+ hydrogen chloride cation 2ΠC∞v
185 HBr hydrogen bromide 1ΣC∞v
186 HBr- hydrogen bromide anion 2ΣC∞v
187 HBr+ hydrogen bromide cation 2ΠC∞v
188 H2Cl+ dihydrogen monochloride cation 1A1C2v
189 H2Br+ protonated hydrogen bromide 2A1C2v
190 Ne Neon atom 1SKh
191 Ne Neon atom   
192 Ne+ Neon atom cation 2PKh
193 Ar Argon atom 1SKh
194 Kr Krypton atom 1SKh
195 Kr+ Krypton cation 2PKh
196 HeLi+ Helium Lithium cation   
197 NeH neon hydrogen 2ΣC∞v
198 ArH+ Argon hydride cation 1ΣC∞v
199 KrH+ Protonated Krypton 1ΣC∞v
200 H2Ar H2 Ar dimer 1ΣC∞v
201 Li2 Lithium diatomic 1ΣgD∞v
202 NaLi lithium sodium 1ΣC∞v
203 Na2 Sodium diatomic 1ΣgD∞h
204 Na2- sodium diatomic anion 2ΣuD∞h
205 Na2+ sodium diatomic cation 2ΣgD∞h
206 Be2 Beryllium diatomic 1ΣgD∞h
207 Be2 Beryllium diatomic 3ΠgD∞h
208 BeMg Beryllium Magnesium 1ΣC∞v
209 Mg2 Magnesium diatomic 1ΣgD∞h
210 LiB Lithium boride 3ΠC∞v
211 LiAl Lithium Aluminum   
212 NaAl Sodium aluminum 1ΣC∞v
213 BeB Beryllium monoboride 2ΠC∞v
214 B2 Boron diatomic 3ΣgD∞h
215 B2 Boron diatomic 1ΣgD∞h
216 B2 Boron diatomic 5ΣuD∞h
217 B2+ Boron diatomic cation 2ΠD∞h
218 BAl Boron Aluminum 3ΣC∞v
219 BGa Boron Gallium 3ΣC∞v
220 AlGa Aluminum Gallium 3ΣC∞v
221 AlGa Aluminum Gallium 1ΣC∞v
222 Ga2 Gallium diatomic 3Piu 
223 HBBH Diborane(2) 3ΣGD∞h
224 LiBH4 Lithium borohydride 1A1C3v
225 B2H4 Diborane(4) D2d 1A1D2d
226 HBHHBH Diborane(4) C2V 1A1C2v
227 B2H6 Diborane 1AgD2h
228 B2H6+ Diborane cation   
229 Al2H6 dialane 1AGD2h
230 Ga2H6 digallane 1AGD2h
231 LiC Lithium Carbide 4ΣC∞v
232 BeC Beryllium Carbide 3Σ-C∞v
233 BeC Beryllium Carbide   
234 BC boron monocarbide 4Σ-C∞v
235 AlC Aluminum carbide 4ΣC∞v
236 BSi Boron silicide 4ΣC∞v
237 BSi Boron silicide 2ΣC∞v
238 C2 Carbon diatomic 1Σg+D∞h
239 C2 Carbon diatomic 3Σg- 
240 C2+ carbon diatomic cation 4ΣgD∞h
241 SiC silicon monocarbide 3ΣC∞v
242 SiC silicon monocarbide 1ΣC∞v
243 Si2 Silicon diatomic 3ΣgD∞h
244 GeC Germanium monocarbide 1ΣC∞v
245 SiGe Silicon Germanium   
246 C2H Ethynyl radical 2ΣC∞v
247 C2H- Ethynyl anion 1ΣC∞v
248 C2H2 Acetylene 1ΣgD∞h
249 C2H2+ acetylene cation 2ΠuD∞h
250 C2H2+ acetylene cation   
251 CCH2 vinylidene 3B2C2v
252 H2CC- vinylidene anion   
253 HCCH- acetylene anion   
254 HCCH- acetylene anion   
255 Si2H2 disilyne   
256 Si2H2 disilyne   
257 Si2H2 disilyne   
258 Si2H2 disilyne   
259 CH3Li methyl lithium 1A1C3v
260 CH2BH methyleneborane 1A1C2v
261 C2H3 vinyl 2A'Cs
262 C2H3- vinyl anion 1A'Cs
263 C2H3+ vinyl cation 1A1C2V bridging H
264 C2H3+ vinyl cation 1A1C2V HCCH2
265 C2H4 Ethylene 1AgD2h
266 C2H4- Ethylene anion 2AgC2h
267 C2H4+ Ethylene cation 2B3D2
268 Si2H4 Disilene   
269 Si2H4 Disilene   
270 Si2H4 Disilene   
271 CH3BH2 methylborane 1A'Cs
272 C2H5 Ethyl radical 2A'Cs
273 C2H5- Ethyl anion 1A'Cs
274 C2H6 Ethane 1A1gD3d
275 C2H6 Ethane 1A1'D3h
276 Si2H6 disilane 1EuD3d
277 LiN Lithium Nitride 3ΣC∞v
278 LiP Lithium monophosphide   
279 LiP Lithium monophosphide   
280 BeN Beryllium mononitride 4ΣC∞v
281 BeN Beryllium mononitride 2ΠC∞v
282 BeN+ Beryllium mononitride cation 3ΣC∞v
283 BeN+ Beryllium mononitride cation 1ΣC∞v
284 MgN Magnesium Nitride   
285 MgN Magnesium Nitride   
286 BP Boron monophosphide 3ΠC∞v
287 BP Boron monophosphide 1ΣC∞v
288 AlP Aluminum monophosphide 3ΣC∞v
289 AlP Aluminum monophosphide 3ΠC∞v
290 AlP Aluminum monophosphide 1ΣC∞v
291 GaN Gallium mononitride 3ΠC∞v
292 GaN Gallium mononitride 1ΣC∞v
293 GaP Gallium monophosphide 3ΣC∞v
294 GaP Gallium monophosphide 1ΣC∞v
295 GaAs Gallium arsenide 3Π 
296 GaAs Gallium arsenide 1Σ 
297 BN boron nitride 3ΠC∞v
298 BN boron nitride 1ΣC∞v
299 CN Cyano radical 2ΣC∞v
300 CN- cyanide anion 1ΣC∞v
301 SiP Silicon monophosphide 2ΠC∞v
302 N2 Nitrogen diatomic 1ΣgD∞h
303 N2 Nitrogen diatomic   
304 N2- nitrogen diatomic anion 2ΠgD∞h
305 N2+ diatomic nitrogen cation 2ΣgD∞h
306 PN Phosphorus mononitride 1ΣC∞v
307 P2 Phosphorus diatomic 1ΣgD∞h
308 AsN Arsenic mononitride 1ΣC∞v
309 AsP Arsenic monophosphide 1ΣC∞v
310 HCN Hydrogen cyanide 1ΣC∞v
311 HCN+ hydrogen cyanide cation 2ΠC∞v
312 HNC+ hydrogen isocyanide cation   
313 HCP+ Phosphaethyne cation   
314 NNH+ Dinitrogen monohydride cation 1ΣC∞v
315 LiNH2 lithium amide   
316 HBNH Boranimine 1ΣC∞v
317 CNH2 Aminomethylidyne radical 2B2C2v
318 H2CN Dihydrogen cyanide radical 2B2C2v
319 HCNH methyleneazane 2A'CS cis
320 HCNH methyleneazane 2A'CS trans
321 H2NN Isodiazene   
322 N2H2 (E)-diazene 1AgC2h
323 N2H2 (Z)-Diazene 1A1C2v
324 N2H2+ trans-diazene cation 2AGC2h
325 CH2NH Methanimine 1A'Cs
326 CH2NH+ Methanimine cation   
327 CHNH2 aminomethylene   
328 CHNH2+ Aminocarbene cation   
329 CH2PH Phosphaethene 1A'Cs
330 BH2NH2 Boranamine   
331 CH2NH2+ methyleneamine cation 1A1C2v
332 N2H4 Hydrazine 1AC2
333 N2H4+ hydrazine cation 2AGC2h
334 CH3NH2 methyl amine 1A'Cs
335 CH3NH2+ methyl amine cation 2A'Cs
336 SiH3NH2 Silane, amino   
337 N2H5+ protonated hydrazine 1A'Cs
338 BH3PH3 borane phosphine   
339 BH3NH3 borane ammonia 1A1C3v
340 CH3NH3 methyl ammonium radical 2A1C3v
341 CH3PH3+ methyl phosphine, protonated 1A1C3v
342 NH3NH3 Ammonia Dimer 1AgC2h
343 NH3NH3 Ammonia Dimer 1A'Cs
344 N2H7+ ammonia ammonium dimer   
345 LiO lithium oxide 2ΣC∞v
346 LiS Lithium monosulfide 2ΠC∞v
347 LiS+ Lithium sulfide cation 3ΣC∞v
348 NaO sodium monoxide 2ΣC∞v
349 NaS Sodium sulfide 2ΠC∞v
350 LiSe Lithium monoselenide   
351 BeO beryllium oxide 1ΣC∞v
352 BeO+ Beryllium monoxide cation 2ΠC∞v
353 BO boron monoxide 2ΣC∞v
354 ScO Scandium monoxide 2ΣC∞v
355 GaO Gallium monoxide 2ΣC∞v
356 GaS Gallium monosulfide   
357 CO Carbon monoxide 1ΣC∞v
358 CO- carbon monoxide anion 2ΠC∞v
359 CO+ carbon monoxide cation 2ΣC∞v
360 SiO Silicon monoxide 1ΣC∞v
361 SiS silicon monosulfide 1ΣC∞v
362 TiO Titanium monoxide 3ΔC∞v
363 CSe Carbon monoselenide 1ΣC∞v
364 GeO Germanium monoxide 1ΣC∞v
365 GeO+ Germanium monoxide cation 2ΣC∞v
366 GeS Germanium monosulfide 1ΣC∞v
367 SiSe Silicon Monoselenide   
368 SiSe+ Silicon Monoselenide cation   
369 GeSe Germanium monoselenide   
370 NO Nitric oxide 2ΠC∞v
371 NO- nitric oxide anion 3ΣC∞v
372 NO+ nitric oxide cation 1ΣC∞v
373 NS Mononitrogen monosulfide 2ΠC∞v
374 NS- nitrogen sulfide anion 3ΣC∞v
375 PO Phosphorus monoxide 2ΠC∞v
376 PS phosphorus sulfide 2ΣC∞v
377 VO Vanadium monoxide 4Σ- 
378 NSe Nitrogen monoselenide 2ΠC∞v
379 AsS Arsenic monosulfide 2ΠC∞v
380 PSe Phosphorus monoselenide 2ΠC∞v
381 AsSe Arsenic monoselenide 2ΠC∞v
382 O2 Oxygen diatomic 3ΣgD∞h
383 O2 Oxygen diatomic 1ΔgD∞h
384 O2- oxygen diatomic anion 2ΠD∞h
385 O2-- dioxygen dianion   
386 O2+ diatomic oxygen cation 2ΠgD∞h
387 SO Sulfur monoxide 3ΣC∞v
388 SO Sulfur monoxide 1ΣC∞v
389 SO+ sulfur monoxide cation 2ΠC∞v
390 S2 Sulfur diatomic 3ΣgD∞h
391 SeO Selenium monoxide 3ΣC∞v
392 SeS Selenium monosulfide 3ΣC∞v
393 Se2 Selenium diatomic 3ΣgD∞h
394 LiOH lithium hydroxide 1ΣC∞v
395 BeOH beryllium monohydroxide 2A'Cs
396 BeOH beryllium monohydroxide 2ΣC∞v
397 HBO Boron hydride oxide 1ΣC∞v
398 HBS hydrogen boron sulfide 1ΣC∞v
399 COH Hydroxymethylidyne   
400 COH+ Carbon Monoxide, protonated 1ΣC∞v
401 HCO Formyl radical 2A'Cs
402 HCO- formyl anion 1A'Cs
403 HCO+ Formyl cation 1ΣC∞v
404 HNO Nitrosyl hydride 1A'Cs
405 HNO+ Nitrosyl hydride cation 2A'Cs
406 NOH Hydroxyimidogen 3A"Cs
407 NOH+ O-protonated nitric oxide 2A'Cs
408 HO2 Hydroperoxy radical 2A"Cs
409 HO2+ Hydroperoxy cation 3A"Cs
410 HSO+ Sulfur Monoxide, S-protonated   
411 SOH Sulfur Hydroxide   
412 SOH+ Sulfur Monoxide, protonated   
413 HS2 Thiosulfeno radical 2A"Cs
414 H2CO Formaldehyde 1A1C2v
415 H2CO- formaldehyde anion 2A'Cs
416 H2CO- formaldehyde anion   
417 H2CO+ formaldehyde cation 2B2C2v
418 HOCH hydroxycarbene 1A'CS trans
419 HOCH hydroxycarbene 1A'CS cis
420 H2CS Thioformaldehyde 1A1C2v
421 H2CS- thioformaldehyde anion   
422 H2CS- thioformaldehyde anion   
423 H2CS+ thioformaldehyde cation 2B2C2v
424 H2CSe Selenoformaldehyde   
425 H2NO nitroxide 2B1C2v
426 H2NO nitroxide 2A'Cs
427 H2O2 Hydrogen peroxide 1AC2
428 H2O2 Hydrogen peroxide 1AgC2h
429 H2O2+ Hydrogen peroxide cation 2BgC2h
430 H2O2+ Hydrogen peroxide cation 2A1C2v
431 H2OO water oxide   
432 HOSH hydrogen thioperoxide   
433 H2S2 Disulfane 1AC2
434 H2S2+ hydrogen disulfide cation 2BgC2h
435 H2Se2 hydrogen diselenide   
436 CH2OH Hydroxymethyl radical 2AC1
437 CH2OH+ hydroxymethyl cation 1A'Cs
438 CH3O- methoxy anion 1A1C3v
439 CH3O+ Methoxy cation 3A1C3v
440 H2CSH+ Thioformaldehyde, protonated 1A'Cs
441 NH2OH hydroxylamine 1A'Cs
442 NH2OH+ Hydroxylamine cation   
443 NH3O Ammonia Oxide 1A1C3v
444 H2POH Phosphinous acid 1A1'CS trans
445 H2POH Phosphinous acid 1A1'CS cis
446 H3PO Phosphine oxide 1A1C3v
447 NH2SH Thiohydroxylamine   
448 NH2SH Thiohydroxylamine   
449 NH3S sulfidoazane   
450 CH3OH Methyl alcohol 1A'Cs
451 CH3OH- Methyl alcohol anion 2A'Cs
452 CH3OH- Methyl alcohol anion 2A'CS eclipsed
453 CH3OH+ Methyl alcohol cation 2A"Cs
454 CH3OH+ Methyl alcohol cation 2AC1
455 CH3SH Methanethiol 1A'Cs
456 CH3SH+ Methanethiol cation 2A"Cs
457 SiH3OH silanol   
458 NH2OH2+ protonated hydroxylamine   
459 NH3OH+ N-protonated hydroxylamine   
460 H2OH2O water dimer 1A'Cs
461 CH3SH2+ protonated methylsulfide 1A'Cs
462 H5O2+ Dihydroxonium ion 1AC2
463 LiF lithium fluoride 1ΣC∞v
464 LiCl lithium chloride 1ΣC∞v
465 NaF sodium fluoride 1ΣC∞v
466 NaF+ sodium fluoride cation 2ΣC∞v
467 NaCl Sodium Chloride 1ΣC∞v
468 LiBr Lithium Bromide 1ΣC∞v
469 LiF+ lithium fluoride cation 2ΠC∞v
470 BeF- Beryllium monofluoride anion 1ΣC∞v
471 MgF+ magnesium fluoride cation 1ΣC∞v
472 TiCl Titanium Monochloride 4ΣC∞v
473 ZnF Zinc monofluoride 2ΣC∞v
474 BF Boron monofluoride 1ΣC∞v
475 AlF Aluminum monofluoride 1Σ+C∞v
476 AlCl Aluminum monochloride 1ΣC∞v
477 ScF Scandium monofluoride 1ΣC∞v
478 BBr Boron monobromide 1ΣC∞v
479 GaF Gallium monofluoride 1ΣC∞v
480 GaF+ Gallium monofluoride cation 2ΣC∞v
481 AlBr Aluminum monobromide   
482 GaCl Gallium monochloride 1ΣGC∞v
483 GaCl+ Gallium monochloride cation 2ΣC∞v
484 GaBr Gallium monobromide   
485 CF Fluoromethylidyne 2ΠC∞v
486 SiF silicon monofluoride 2ΠC∞v
487 SiF- silicon monofluoride anion 3ΣC∞v
488 SiF+ silicon monofluoride cation 1ΣC∞v
489 SiCl Clorosilylidyne 2ΠC∞v
490 CBr Carbon monobromide 2ΠC∞v
491 GeF Germanium monofluoride 2ΠC∞v
492 GeF+ Germanium monofluoride cation 1ΣC∞v
493 GeCl Germanium monochloride 2ΠC∞v
494 GeCl+ Germanium monochloride cation   
495 SiBr Silicon monobromide 2ΠC∞v
496 SiBr+ Silicon monobromide cation   
497 NCl nitrogen monochloride 3ΣC∞v
498 AsF Arsenic monofluoride 3ΣC∞v
499 AsF Arsenic monofluoride 1ΔC∞v
500 NBr nitrogen monobromide 3Σ-C∞v
501 AsCl Arsenic monochloride 3ΣC∞v
502 PBr Phosphorus monobromide   
503 FO Oxygen monofluoride 2ΠC∞v
504 ClO Monochlorine monoxide 2ΠC∞v
505 ClO+ chlorine monoxide cation 3ΣC∞v
506 SF Monosulfur monofluoride 2ΠC∞v
507 SF+ sulfur monofluoride cation 3ΣC∞v
508 SCl sulfur monochloride 2ΠC∞v
509 SCl+ sulfur monochloride cation 3ΣgC∞v
510 BrO Bromine monoxide 2ΠC∞v
511 BrO- Bromine monoxide anion 1ΣC∞v
512 BrO+ Bromine monoxide cation   
513 SeF Selenium monofluoride 2ΠC∞v
514 SBr Sulfur monobromide radical   
515 SBr+ Sulfur monobromide cation   
516 SeCl Selenium monochloride 2ΠC∞v
517 SeBr Selenium monobromide   
518 BrCl Bromine monochloride 1ΣC∞v
519 F2 Fluorine diatomic 1ΣgD∞h
520 F2- flourine diatomic anion 2ΣuD∞h
521 F2+ flourine diatomic cation 2ΠgD∞h
522 ClF Chlorine monofluoride 1Σ+C∞v
523 ClF+ clorine monofluoride cation 2ΠC∞v
524 Cl2 Chlorine diatomic 1ΣgD∞h
525 Cl2- chlorine diatomic anion 2ΣuD∞h
526 Cl2+ chlorine diatomic cation 2ΠgD∞h
527 BrF Bromine monofluoride 1ΣC∞v
528 Br2 Bromine diatomic 1ΣgD∞h
529 Br2- bromine diatomic anion 2ΣuD∞h
530 Br2+ bromine diatomic cation 2ΠgD∞h
531 HCF Fluoromethylene 1A'Cs
532 HCF Fluoromethylene 3A"Cs
533 HCCl Chloromethylene 1A'Cs
534 HCCl Chloromethylene 3A"Cs
535 HSiF fluorosilylene   
536 HSiCl Chlorosilylene   
537 HSiBr monobromosilylene   
538 HOF Hypofluorous acid 1A'Cs
539 HOCl hypochlorous acid 1A'Cs
540 HOCl+ hypochlorous acid cation   
541 HOBr Hypobromous acid 1A'Cs
542 HOBr+ Hypobromous acid cation 2A"Cs
543 F2H+ Fluorine, protonated 1A'Cs
544 ClFH+ Chlorine fluoride, F-protonated   
545 FClH+ Chlorine fluoride, Cl-protonated   
546 Cl2H+ Chlorine, protonated 1A'Cs
547 CH2Br bromomethyl radical   
548 CH2F fluoromethyl radical 2ACs
549 CH2F+ fluoromethyl cation   
550 CH2Cl+ chloromethyl cation   
551 CH2Cl chloromethyl radical 2A'Cs
552 CH2Cl chloromethyl radical 2B1C2v
553 NH2Cl chloramine 1A'Cs
554 CH3F+ methyl fluoride cation   
555 CD3F methylfluoride-d3 1A1C3v
556 CH3F Methyl fluoride 1A1C3v
557 CD3Cl methyl chloride d3 1A1C3v
558 CH3Cl Methyl chloride 1A1C3v
559 CH3Cl+ Methyl chloride cation   
560 SiH3F monofluorosilane 1A1C3v
561 SiH3Cl chlorosilane 1A1C1
562 CH3Br methyl bromide 1A1C3v
563 GeH3F monofluorogermane   
564 GeH3Cl monochlorogermane   
565 SiH3Br bromosilane 1A1C3v
566 NH3Cl+ protonated monochloroammonia   
567 CH3ClH+ methyl chloride, protonated   
568 NH4Cl Ammonium chloride   
569 LiNe+ Lithium Neon cation   
570 Ne2+ Neon diatomic cation 2ΣuD∞h
571 Ar2 Argon diatomic 1SgD∞h
572 Ar2+ Argon diatomic cation 2ΣuD∞h
573 Li3 Lithium trimer 2B2C2v
574 Li3+ Lithium trimer cation 1A1'D3h
575 C3 carbon trimer 1ΣgD∞h
576 C3 carbon trimer 1A1C2v
577 SiC2 Silicon dicarbide   
578 C3H3 cyclopropenyl radical 2A'Cs
579 C3H4 cyclopropene 1A1C2v
580 CH2CCH2 allene 1A1D2d
581 CH3CCH propyne 1A'C3v
582 C3H5 Allyl radical 2A2C2v
583 C3H5 Allyl radical 2A"Cs
584 CH3CHCH 1-propenyl radical 2A'Cs
585 C3H6 Cyclopropane 1A1'D3h
586 CH2CHCH3 Propene 1A'Cs
587 C3H7 n-Propyl radical 2A"C1
588 C3H7+ cyclopropane, protonated   
589 CH3CHCH3 Isopropyl radical 2AC2
590 CH3CHCH3+ Isopropyl cation 1AC2
591 C3H8 Propane 1A1C2v
592 Si3H8 trisilane   
593 LiCN lithium cyanide 1ΣC*V LiCN
594 LiCN lithium cyanide 1A'Cs
595 LiCN lithium cyanide 1ΣC*V LiNC
596 NaCN Sodium Cyanide 1ΣC∞v
597 NaCN Sodium Cyanide 1ACs
598 NaCN Sodium Cyanide 1ΣC∞v
599 ZnCN Zinc monocyanide 2ΣC∞v
600 ZnNC Zinc isocyanide 2ΣC∞v
601 AlCN Aluminum monocyanide   
602 AlNC Aluminum isocyanide   
603 CN2 3H-Diazirin-3-ylidene 1A1C2v
604 CNN Diazocarbene   
605 NCN Cyanoimidogen 3ΣgD∞h
606 NCN Cyanoimidogen 1ΣgD∞h
607 N3 azide radical 2ΠgD∞h
608 N3+ azide cation 3ΣgD∞h
609 N3+ azide cation 3ΣC∞v
610 HCCN cyanomethylene 3A"Cs
611 HCCN cyanomethylene 3ΣC∞v
612 HCCN cyanomethylene   
613 HN3 hydrogen azide 1A'Cs
614 HN3+ Hydrazoic acid cation   
615 HNCNH diiminomethane 1AC2
616 NH2CN cyanamide 1A1C2v
617 HNNNH+ 1,2-Triazadienium   
618 NH2NN+ hydrazoic acid, protonated   
619 CH3CN Acetonitrile 1A1C3v
620 CH3CN- acetonitrile anion 2EC3v
621 CH3CN- acetonitrile anion 2A'Cs
622 CHNCH2 2H-Azirine   
623 CHNHCH 1H-Azirine   
624 H2CCNH Ethenimine   
625 H2CNCH methyleneaminomethylene   
626 HCCNH2 Ethynamine   
627 HCNCH2+ 2H-Azirine cation   
628 HNCNH2+ diiminomethane, protonated 1A'Cs
629 NCNH3+ Cyanamide, protonated 1A1C3v
630 NH2CNH+ cyanamide, cn protonated   
631 NH3CN+ cyanamide, amine protonated   
632 CH2CHNH vinylazine 2A"CS cis
633 CH2CHNH vinylazine 2A"CS trans
634 CH3CHN methylmethaniminyl radical 2A'Cs
635 CH3CHNH ethanimine 1A'CS NH down
636 C2H5NH+ Protonated Aziridine 1A1C2v
637 C2H6N+ aziridine, protonated 1A1C2v
638 NH2CH2NH2 diaminomethane 1A1C2v
639 CH3CH2NH2 Ethylamine   
640 CH3PHCH3 dimethylphosphine 1A'Cs
641 (CH3)2NH2+ dimethylammonium cation 1A1C2v
642 CH3CH2NH3+ ethylamine, protonated 1A'Cs
643 Li2O dilithium oxide 1ΣgD∞h
644 Li2S dilithium sulfide 1ΣGD∞h
645 Li2S dilithium sulfide 1A1C2v
646 Na2O disodium monoxide 1ΣgLinear
647 Na2O disodium monoxide 1A1C2v
648 Na2S Sodium sulfide   
649 Na2S Sodium sulfide   
650 LiO2 Lithium dioxide   
651 NaO2 Sodium superoxide   
652 CCO Dicarbon monoxide 3ΣC∞v
653 CCO Dicarbon monoxide 1ΠC∞v
654 NCO isocyanato radical 2ΠC∞v
655 N2O Nitrous oxide 1ΣC∞v
656 N2O- Nitrous oxide anion 2A'Cs
657 NNS Nitrogen sulfide 1ΣC∞v
658 PPO Phosphorus oxide phosphide 1ΣC∞v
659 CO2 Carbon dioxide 1ΣgD∞h
660 CO2+ Carbon dioxide cation 2ΠC∞v
661 OCS Carbonyl sulfide 1ΣC∞v
662 CS2 Carbon disulfide 1ΣgD∞h
663 CS2- Carbon disulfide anion 2A1C2v
664 TiO2 Titanium dioxide 1A1C2v
665 SiS2 Silicon disulfide 1ΣGD∞h
666 GeO2 Germanium dioxide 1ΣgD∞h
667 OCSe Carbonyl selenide 1ΣC∞v
668 SCSe Carbon sulfide selenide   
669 GeS2 Germanium disulfide 1ΣGD∞h
670 CSe2 Carbon diselenide 1A1D∞h
671 NO2 Nitrogen dioxide 2A1C2v
672 NO2+ Nitrogen dioxide cation 1ΣGD∞h
673 NSO sulfinyl amidogen   
674 SNO Nitrogen oxide sulfide   
675 AsO2 Aresenic dioxide 2A1C2v
676 O3 Ozone 1A1Cs
677 SO2 Sulfur dioxide 1A1C2v
678 SSO Disulfur monoxide 1A'Cs
679 S3 Sulfur trimer 1A1C2v
680 S3 Sulfur trimer   
681 S3+ Sulfur trimer cation 2B2C2v
682 SeO2 Selenium dioxide 1A1C2v
683 SeO2+ Selenium dioxide cation 2A1C2v
684 HCCO ketenyl radical 2ΠC∞v
685 HCCO ketenyl radical 2A"Cs
686 HCNO fulminic acid 1ΣC∞v
687 HCNO fulminic acid 1A'Cs
688 HNCS Isothiocyanic acid   
689 HSCN thiocyanic acid 1A'Cs
690 HNNO+ Nitrous oxide, N-protonated 1A'Cs
691 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
692 HCOO formate neutral radical 2A'Cs
693 HOCO Hydrocarboxyl radical 1A'cis
694 HOCO Hydrocarboxyl radical 1A'trans
695 O3H+ protonated ozone 1A'Cs
696 O3H+ protonated ozone   
697 SO2H+ protonated sulfur dioxide 1A'Cs
698 C2H2O Oxirene 1A1C2v
699 CH2CO Ketene 1A1C2v
700 CH2CS Thioketene   
701 Be(OH)2 Beryllium hydroxide   
702 NH2NO Nitrosamide 1AC1
703 H2COO Dioxymethyl radical 2A'Cs
704 H2COO+ dioxymethyl cation 2A'Cs
705 HCOOH Formic acid 1A'Cs
706 HCOOH Formic acid   
707 H2O3 Hydrogen trioxide 1AC2
708 HSSSH trisulfane 1A'Cs
709 NaOCH3 Sodium methoxide 1A1C3v
710 CH2BOH hydroxy(methylene)borane 1A'Cs
711 BH3CO Borane carbonyl 1A1C3v
712 CH3BO Borane, methyloxo- 1A1C3v
713 CH2COH+ ketene, protonated   
714 CH2NOH formaldoxime 1A'Cs
715 CH3NO nitrosomethane 1A'Cs
716 CHONH2 formamide 1A'Planar
717 CHONH2 formamide 1ANon-Planar
718 CNOH3 1,2-oxaziridine 1AC1
719 HOCHNH hydroxymethylimine 1A'CS H all up
720 HOCHNH hydroxymethylimine 1A'CS OH down
721 HOCHNH hydroxymethylimine 1A'CS CH up
722 CHSNH2 thioformamide   
723 NHCHSH Methanimidothioic acid   
724 C2H4O Ethylene oxide 1A1C2v
725 C2H4O+ ethylene oxide cation   
726 CH3CHO Acetaldehyde 1A'Cs
727 CH3CHO+ acetaldehyde cation   
728 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
729 C2H4S Thiirane 1A1C2v
730 CH2CHSH Ethenethiol   
731 CH3CHS Thioacetaldehyde 1A'C1
732 H2CONH2+ protonated formamide 1A'Cs
733 NH2CHOH+ Formamide, O-protonated   
734 CH2(OH)2 methanediol 1AC2
735 CH3SSH Hydrogen methyl disulfide   
736 HSCH2SH Methanedithiol   
737 C2H4OH+ ethylene oxide, protonated 1A'Cs
738 CH3CHOH 1-hydroxy-ethyl radical 2AC1
739 CH3CHOH+ acetaldehyde, protonated 1A'Cs
740 NH2CH2OH aminomethanol   
741 CH3CH2SH ethanethiol 1A'Cs
742 CH3CH2SH ethanethiol 1AC1
743 CH3SCH3 Dimethyl sulfide 1A1C2v
744 CH3SCH3+ dimethyl sulfide cation   
745 CH3SeCH3 dimethylselenide 1A1C2v
746 CuF2 Copper difluoride 2ΠgD∞h
747 CNF iso cyanogen fluoride 1ΣC∞v
748 BrCN Cyanogen bromide 1ΣC∞v
749 FBO Boron monofluoride monoxide   
750 BeF2 Beryllium fluoride 1ΣgD∞h
751 MgF2 Magnesium fluoride 1ΣgD∞h
752 BeCl2 Beryllium chloride 1ΣgD∞h
753 BeBr2 Beryllium bromide   
754 FCO Carbonyl fluoride 2A'Cs
755 FCO+ Carbonyl fluoride cation 1ΣC∞v
756 ClCO carbonyl monochloride 2A'Cs
757 BF2 Boron difluoride radical 2A1C2v
758 FNO Nitrosyl fluoride 1A'Cs
759 ClNO Nitrosyl chloride 1A'Cs
760 FNS Thionitrosyl fluoride 1A'Cs
761 FSN Thiazyl fluoride 1A'Cs
762 OPCl Phosphorus oxychloride   
763 CF2 Difluoromethylene 1A1D∞h
764 CFCl chlorofluoromethylene 1A'Cs
765 SiF2 Silicon difluoride 1A1C2v
766 SiF2+ Silicon difluoride cation 2A1C2v
767 GeF2 Germanium difluoride 1A1C2v
768 GeCl2 Germanium dichloride 1A1C2v
769 CBr2 dibromomethylene 1A1C2v
770 CBr2 dibromomethylene 3B1C2v
771 FOO+ Fluorine dioxide cation   
772 OClO Chlorine dioxide 2B1D∞h
773 OClO- Chlorine dioxide anion 1A'Cs
774 ClSO Sulfur chloride oxide 2A"Cs
775 BrOO Bromine dioxide   
776 PF2 Phosphorus difluoride   
777 PF2+ Phosphorus difluoride cation   
778 FClO chlorosyl fluoride 1A'Cs
779 ClOF Chlorine hypofluorite 1A'Cs
780 SF2 sulfur difluoride 1A1C2v
781 SF2- sulfur difluoride anion 2A'Cs
782 SF2- sulfur difluoride anion 2ΠD∞h
783 SCl2 Sulfur dichloride 1A1C2v
784 SeF2 Selenium difluoride   
785 SeCl2 Selenium Dichloride   
786 SBr2 Sulfur dibromide   
787 SeBr2 Selenium dibromide   
788 F3- trifluoride anion 1ΣgD∞h
789 Cl3- trichloride anion 1ΣgD∞h
790 Br3- tribromide anion   
791 SFCl Sulfur chloride fluoride   
792 HCCF Fluoroacetylene 1ΣC∞v
793 HCCCl Chloroacetylene 1ΣC∞v
794 HCCBr bromoacetylene 1ΣC∞v
795 HFCO+ formyl fluoride cation 2A'Cs
796 CHCl2 dichloromethyl radical 2B1C2v
797 CHCl2 dichloromethyl radical 2A'Cs
798 CHF2 difluoromethyl radical 2ACs
799 CHF2+ difluoromethyl cation   
800 CHFCl Chlorofluoromethyl radical   
801 CHFCl+ Chlorofluoromethyl cation   
802 CHCl2+ dichloromethyl cation   
803 CHBr2 dibromomethyl radical   
804 NHF2 difluoramine   
805 NHCl2 dichloroamine   
806 CH2F2 Methane, difluoro- 1A1C2v
807 SiH2F2 difluorosilane   
808 CH2Cl2 Methylene chloride 1A1C2v
809 CH2BrF Methane, bromofluoro- 1A'Cs
810 CH2BrCl Methane, bromochloro- 1A'Cs
811 CH2Br2 dibromomethane 1A1C2v
812 SiH2Cl2 dichlorosilane 1A1C2v
813 CH3MgBr Methyl Magnesium Bromide   
814 CH2CHF Ethene, fluoro- 1A'Cs
815 CH2FOH fluoromethanol   
816 CH2CH2Cl 2-chloroethyl radical 2A'Cs
817 CHClCH3 1-chloroethyl radical 2AC1
818 C2H5Br Ethyl bromide 1A'Cs
819 KrF2 Krypton difluoride 1ΣGD∞h
820 B4H10 Tetraborane(10) 1A1C2v
821 C4 Carbon tetramer 3ΣgD∞h
822 C4 Carbon tetramer   
823 C4H2 Diacetylene 1ΣgD∞h
824 C4H2+ diacetlyene cation 2ΠgD∞h
825 C4H4 cyclobutadiene 1AgD2h
826 C4H4 Tetrahedrane   
827 C4H6 1-Methylcyclopropene 1AC1
828 CH2CHCHCH2 1,3-Butadiene 1AC2
829 CHCCH2CH3 1-Butyne 1A'Cs
830 C4H8 methylcyclopropane 1A'Cs
831 CH2CHCH2CH3 1-Butene 1AC1
832 CH3CH2CH2CH3 Butane 1AgAnti
833 CH3CH2CH2CH3 Butane 1AGauche
834 Li3N trilithium nitride 1A'D3h
835 Li3N trilithium nitride 1A1C3v
836 C2N2 Cyanogen 1ΣgD∞h
837 As4 Arsenic tetramer 1A1Td
838 HCCCN+ Cyanoacetylene cation 2ΠC∞v
839 H2CNCN cyanamide, methylene   
840 HNCCNH Ethenediimine   
841 C3H3N+ acrylonitrile cation 2A"Cs
842 CH3N3 methyl azide 1A'Cs
843 NH2CCNH2 Diaminoacetylene 1AC2
844 NH2CH2CN Aminoacetonitrile 1A'Cs
845 CH3NHN2+ methyl azide, protonated 1AC1
846 C2H5CN ethyl cyanide 1A'Cs
847 C4H6 Bicyclo[1.1.0]butane 1A1C2v
848 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
849 H2NCHCHNH2 diaminoethylene   
850 CH7N3 triaminomethane   
851 C4H8 cyclobutane 1A1D2d
852 NH2CH2CH2CH3 1-Propanamine 1A'Cs
853 P(CH3)3 trimethylphosphine 1A1C3v
854 N(SiH3)3 trisilylamine   
855 (CH3)3NH+ protonated trimethyl amine   
856 C3H7NH3+ n-propylamine, protonated 1A'Cs
857 Na2O2 disodium dioxide   
858 C3O Tricarbon monoxide 1ΣC∞v
859 ONNO NO dimer 1Agtrans C2H
860 ONNO NO dimer 1A1cis C2V
861 S2N2 Disulfur dinitride 1AGD2h
862 CS3-- Carbonotrithioate   
863 NO3- nitrate anion 1A1'D3h
864 NO3+ nitrogen trioxide cation 1A1C2v
865 SO3 Sulfur trioxide 1A1'D3h
866 SO3-- Sulfate dianion   
867 SeO3 selenium trioxide 1A1'D3h
868 S4 Sulfur tetramer   
869 S4 Sulfur tetramer   
870 S4 Sulfur tetramer   
871 HNO3 Nitric acid 1A'Cs
872 NH2NO2 nitramide 1A'Cs
873 C3H2O Propadienal   
874 C3H2O Propadienal   
875 C2H2O2 Ethanedial 1AgC2h
876 H2SO3 Sulfurous acid 1A'Cs
877 C2H3NO Nitrosoethylene   
878 CH3NCO methylisocyante   
879 HOCH2CN cyanomethanol   
880 CH3NO2 Methane, nitro- 1A'Cs
881 NH2COOH Carbamic acid 1A'Cs
882 NH2COOH Carbamic acid 1AC1
883 H3AlO3 Aluminum hydroxide   
884 CH2CHCHO Acrolein 1A'Cs
885 CH2CHCHO Acrolein   
886 NH2CONH2 Urea 1AC2
887 NH2CONH2 Urea 1A'Cs
888 NH2CONH2 Urea 1A1C2v
889 NH2COOH2+ Carbamic acid, O-protonated 1AC1
890 NH3COOH+ protonated Carbamic acid 1A'Cs
891 CH3COCH2 Acetonyl radical 2A"Cs
892 CH2C(OH)NH2 1-amino vinyl alchohol   
893 CH3C(OH)=NH Ethaninidic acid   
894 CH3CHNOH Acetaldoxime 1A'CS cis
895 HCONHCH3 N-methylformamide 1A'CS cis
896 HCONHCH3 N-methylformamide 1A'CS trans
897 CH3CSNH2 Ethanethioamide   
898 CH5N2O+ urea, N-protonated 1A'Cs
899 H2NCOHNH2+ urea, protonated 1A'Cs
900 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
901 C3H5OH Cyclopropanol 1AC1
902 C3H6O 2-Propen-1-ol 1AC1
903 C3H6O Acetone enol 1A'Cs
904 C3H6O Oxetane 1A1C2v
905 C3H6O Oxetane 1A'Cs
906 CH3CH2CHO Propanal 1A'Cs
907 CH3COCH3- acetone anion 2A'Cs
908 CH3CSCH3 Thioacetone 1A1C2v
909 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
910 C3H7OH 1-Propanol   
911 CH3OC2H5 Ethane, methoxy- 1A'Cs
912 Li2F2 Lithium fluoride dimer   
913 FNO2 Nitryl fluoride 1A1C2v
914 FONO Nitrosyl hypofluorite 1A'CS cis
915 ClONO chlorine nitrite 1A'CS cis
916 CF2O Carbonic difluoride 1A1C2v
917 CF2O+ Carbonic difluoride cation   
918 Cl2CS Thiophosgene 1A1C2v
919 BF3 Borane, trifluoro- 1A'D3h
920 BF3+ boron trifluoride cation 2B2C2v
921 BF3+ boron trifluoride cation   
922 AlF3 Aluminum trifluoride 1A1'D3h
923 BClF2 Chlorodifluoroborane   
924 BCl3 Borane, trichloro- 1A1'D3h
925 BCl3+ Boron Trichloride cation   
926 GaF3 Gallium trifluoride 1A1'D3h
927 GaCl3 Gallium trichloride 1A1'D3h
928 BBr3 Boron tribromide 1A1'D3h
929 CF3- Trifluoromethyl anion 1A1C3v
930 CF3+ Trifluoromethyl cation 1A1'D3h
931 CF2Cl difluorochloromethyl radical   
932 SiF3 Silicon trifluoride radical 2A1C3v
933 SiF3+ Silicon trifluoride cation 1A1'D3h
934 CFCl2 dichlorofluoromethyl radical   
935 CBr3 tribromomethyl radical   
936 ClO2F Chloryl fluoride 1A'Cs
937 F2SO Thionyl Fluoride 1A'Cs
938 ClOOCl Dichlorine dioxide 1AC2
939 SSCl2 Thiothionyl chloride   
940 NF3 Nitrogen trifluoride 1A1C3v
941 NCl3 nitrogen trichloride 1A1C3v
942 AsCl3 Arsenous trichloride 1A1C3v
943 NBr3 Nitrogen Tribromide 1A1C3v
944 PBr3 Phosphorus tribromide 1A1C3v
945 SF3 Sulfur trifluoride 2A'Cs
946 ClF3 Chlorine trifluoride 1A1'D3h
947 ClF3 Chlorine trifluoride 1A1C2v
948 HClO3 Chloric Acid 1A'Cs
949 HClO3 Chloric Acid 1AC1
950 CHF3 Methane, trifluoro- 1A1C3v
951 SiHF3 trifluorosilane   
952 CDCl3 trichloromethane-d 1A1C3v
953 CHBrF2 Methane, bromodifluoro- 1A'Cs
954 CHFClBr fluorochlorobromomethane 1AC1
955 CHBrCl2 Methane, bromodichloro- 1A'Cs
956 CHBr2F dibromofluoromethane   
957 NF3H+ protonated nitrogen trifluoride 1A1C3v
958 AsF3H+ Arsenic trifluoride, protonated   
959 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
960 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
961 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
962 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
963 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
964 C2H4F2 1,2-difluoroethane 1AgC2H anti
965 C2H4F2 1,2-difluoroethane 1AC2 gauche
966 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
967 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
968 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
969 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
970 CH2BrCH2Cl 1-bromo-2-chloroethane   
971 CH2BrCH2Cl 1-bromo-2-chloroethane   
972 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
973 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
974 CH2CHCH2F Allyl Fluoride   
975 CH2CHCH2F Allyl Fluoride   
976 CH3CHCHF trans-1-Fluoro-1-propene   
977 CH2FCH2OH 2-fluoroethanol   
978 CH2ClCH2OH 2-Chloroethanol 1A'Cs
979 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
980 CH2FCH2CH3 1-Fluoropropane 1A'Cs
981 CH2FCH2CH3 1-Fluoropropane   
982 CH3CHFCH3 2-Fluoropropane 1A'Cs
983 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
984 B5H9 pentaborane9   
985 C5H4 pentatetraene   
986 C5H5 cyclopentadienyl radical 2B1C2v
987 C5H6 Propellane 1A1D3h
988 C5H8 Bicyclo[1.1.1]pentane   
989 C5H8 Ethenylcyclopropane 1A'Cs
990 CH2N4 1H-Tetrazole 1A'Cs
991 C3H3N2 imidazolyl radical 2B1C2v
992 C3H3N2- imidizolyl anion 1A1C2v
993 C4H4N pyrrolide radical 2A2C2v
994 C4H4N- pyrrolide anion 1A1C2v
995 C3H4N2 1H-Imidazole 1A'Cs
996 C3H4N2 2H-Imidazole 1A1C2v
997 C3H4N2 4H-Imidazole 1A'Cs
998 C4H5N Pyrrole 1A1C2v
999 C4H6N+ pyrrole, alpha-protonated 1A'Cs
1000 C4H6N+ pyrrole, beta-protonated 1A'Cs
1001 C4H6N+ pyrrole, protonated 1A1C2v
1002 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
1003 CH3CH2CH2CN Butanenitrile 1A'Cs
1004 NC4H12+ tetramethyl ammonium cation 1A1Td
1005 C3O2 Carbon suboxide 1ΣGD∞h
1006 B2O3 diboron trioxide   
1007 B2O3 diboron trioxide   
1008 MgCO3 Magnesium Carbonate 1A1C2v
1009 BeCO3 Beryllium Carbonate 1A1C2v
1010 ONONO Nitrosyl nitrite 1A1C2v
1011 HOONO2 peroxy nitric acid 1AC1
1012 HSO4- bisulfate anion 1A'Cs
1013 C3H2O2 Propiolic acid 1A'Cs
1014 CHOOCHO diformyl ether   
1015 C3H3NO Isoxazole 1A'Cs
1016 C3H3NS Thiazole   
1017 CH3COCCH 3-butyn-2-one 1A'Cs
1018 C4H4Se selenophene   
1019 C2H4O3 1,2,3-trioxolane 1A'Cs
1020 CH3OCH2CN Methoxyacetonitrile 1A'Cs
1021 CH3OCH2CN Methoxyacetonitrile 1AC1
1022 CH3SO2NH2 methanesulfonamide 1A'Cs
1023 CH2CHOCHCH2 Vinyl ether 1AC1
1024 CH2CHSCHCH2 Divinyl sulfide   
1025 CH3CH2COOH Propanoic Acid 1A'Cs
1026 HCOOC2H5 Ethyl formate 1A'Cs
1027 C2H6O2S Dimethyl sulfone 1A1C2v
1028 C4H8S Thiophene, tetrahydro- 1AC1
1029 C4H10O Methyl propyl ether 1AC1
1030 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
1031 C4H9SH 1-Butanethiol   
1032 BrONO2 Bromine nitrate 1A'Cs
1033 CF3Cl Methane, chlorotrifluoro- 1A1C3v
1034 CF2Cl2 difluorodichloromethane 1A1C2v
1035 TiF4 Titanium tetrafluoride 1A1Td
1036 CF3Br Bromotrifluoromethane 1A1C3v
1037 GeF4 Germanium tetrafluoride 1A1Td
1038 CBrCl2F bromodichlorofluoromethane   
1039 CBr2ClF dibromochlorofluoromethane   
1040 CBr2Cl2 dibromodichloromethane 1A1C2v
1041 CBr3Cl tribromochloromethane 1A1C3v
1042 GeBr4 Germanium tetrabromide   
1043 ClOF3 Chlorine trifluoride oxide 1A'Cs
1044 SF4 Sulfur tetrafluoride 1A1C2v
1045 SeF4 Selenium tetrafluoride   
1046 SCl4 Sulfur tetrachloride   
1047 CF3OH trifluoromethanol 1A'Cs
1048 CH2ClCCCl 1,3-dichloropropyne   
1049 CHCl2CCH 3,3-dichloropropyne   
1050 CHCl2CHO dichloroacetaldehyde   
1051 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
1052 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
1053 SiCl3CH3 methyltrichlorosilane 1A1C3v
1054 SiH3CCl3 (trichloromethyl)silane 1A1C3v
1055 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
1056 CH2FCH2CH2F 1,3-difluoropropane   
1057 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
1058 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
1059 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
1060 C2H2N2O Furazan   
1061 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
1062 NH3BF3 Amminetrifluoroboron 1A1C3v
1063 C6H2 hexatriyne 1ΣgD∞h
1064 C6H5- phenyl anion 1A1C2v
1065 C6H6 Prismane   
1066 C6H6 1,2,4,5-Hexatetraene 1AgC2h
1067 C6H6 Benzvalene 1A1C2v
1068 C6H6 Dewar Benzene   
1069 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
1070 C6H6 Trimethylenecycopropane 1A'D3h
1071 C6H7+ benzene, protonated 1A1C2v
1072 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
1073 C6H10 1,5-Hexadiene 1AgC2
1074 C6H10 3-Hexyne 1A1C2v
1075 C6H12 hex-1-ene 1A'Cs
1076 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
1077 C4H2N2 Fumaronitrile 1AgC2h
1078 C5H6N+ Pyridinium 1A1C2v
1079 Na2CO3 Sodium Carbonate 1A1C2v
1080 MgSO4 Magnesium Sulfate 1A1C2v
1081 N2O4 Dinitrogen tetroxide 1AgD2d
1082 C3H2O3 vinylene carbonate   
1083 C2H2O4 Oxalic Acid 1AgC2h
1084 C2H4N2S2 Ethanedithioamide 1AGC2h
1085 C2H4CO3 Ethylene carbonate 1A1C2v
1086 C2H4CO3 Ethylene carbonate 1AC2
1087 C2H4O4 Formic acid dimer 1AGC2h
1088 C5H6O 2H-Pyran   
1089 C5H6O Pentadienal   
1090 C4H6O2 γ–Butyrolactone 1AC1
1091 C3H6S3 1,3,5-Trithiane 1A1C3v
1092 C5H8O Cyclopentanone 1AC2
1093 C5H8O Methyl cyclopropyl ketone 1A'Cs
1094 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
1095 C5H10O 2-methylbutyraldehyde 1AC1
1096 C5H10O 3-Pentanone 1A1C2v
1097 C4F2 difluorobutadiyne   
1098 ClCOClCO Oxalyl chloride 1AGC2h
1099 B2Cl4 Diboron tetrachloride 1A1D2
1100 C2ClF3 Ethene, chlorotrifluoro-   
1101 CF2CCl2 difluorodichloroethylene 1A1C2v
1102 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1103 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1104 C2Br4 tetrabromoethene   
1105 CF3OF Trifluoromethylhypofluorite 1A'Cs
1106 SiF5- silicon pentafluoride anion   
1107 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1108 PF5 Phosphorus pentafluoride 1A1'D3h
1109 SF5 Sulfur pentafluoride 2A1C4v
1110 SF5+ pentafluoro sulfur cation 1A1'D3h
1111 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1112 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1113 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1114 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1115 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1116 C4H3ClO Furan, 2-chloro 1A'Cs
1117 C4H3ClO Furan,3-chloro 1A'Cs
1118 C4H8O2 Butanoic acid 1AC1
1119 C7H7 cycloheptatrienyl radical 2A2C2v
1120 C7H7+ cycloheptatrienyl cation 1A1'D7h
1121 CH(CN)3 tricyanomethane   
1122 C6H6O 2,5-Cyclohexadienone 1A1C2v
1123 C5H8O2 Acetylacetone 1AC2
1124 C7H10 Norbornene   
1125 C6H12O Oxepane   
1126 F2CCCF2 tetrafluoroallene   
1127 CF3COO- trifluoro acetate anion 1A'Cs
1128 PF6 Hexafluorophosphate neutral 2B2C2v
1129 PF6- Hexafluorophosphate ion 1A1GOh
1130 SF6 Sulfur Hexafluoride 1A1GOh
1131 SF5Cl sulfur chloropentafluoride 1A1C4v
1132 CF3CHF2 pentafluoroethane 1A'Cs
1133 S4N4 Tetrasulfur tetranitride   
1134 C6H5CHO benzaldehyde 1A'Cs
1135 C4F4 tetrafluorcyclobutadiene 1A1GD4h
1136 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1137 C2Cl6 hexachloroethane 1A1gD3d
1138 C6H4F2 1,4-difluorobenzene 1AgD2h
1139 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1140 C6H5NO nitrosobenzene 1A'Cs
1141 C3F6 hexafluoropropene   
1142 C8H18O 1-Octanol   
1143 C10H8 Azulene 1A1C2v
1144 C10H8 naphthalene 1AgD2h
1145 C10H10 bullvalene   
1146 B12H12-- Dodecahydrododecaborate(2-)   
1147 C12H8 biphenylene 1AgD2h
1148 C14H14 Bibenzyl 1AC2
1149 C6H5COC6H5 benzophenone 1AC2
1150 C19H16 Triphenylmethane 1AC3

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 D2 Deuterium diatomic d2  
5 HD Deuterium hydride hd  
6 H3+ hydrogen trimer cation h3+  
7 He- Helium atom anion he-  
8 HeH Helium hydride heh  
9 Li+ Lithium atom cation li+  
10 Na- Sodium atom anion na-  
11 Na+ Sodium atom cation na+  
12 K Potassium atom k  
13 K- Potassium atom anion k-  
14 K+ Potassium atom cation k+  
15 Cu Copper atom cu  
16 Cu- Copper atom anion cu-  
17 Cu+ Copper atom cation cu+  
18 LiH- lithium hydride anion lih-  
19 NaH- sodium hydride anion nah-  
20 KH Potassium hydride kh  
21 KH+ Potassium hydrogen cation kh+  
22 CuH Copper monohydride cuh  
23 Be- Beryllium atom anion be-  
24 Mg- Magnesium atom anion mg-  
25 Ca Calcium atom ca  
26 Ca- Calcium atom anion ca-  
27 Ca+ Calcium atom cation ca+  
28 Zn Zinc atom zn  
29 Zn- Zinc atom anion zn-  
30 Zn+ Zinc atom cation zn+  
31 BeH- berylium monohydride anion beh-  
32 BeH+ beryllium monohydride cation beh+  
33 MgH- magnesium monohydride anion mgh-  
34 MgH+ magnesium monohydride cation mgh+  
35 CaH Calcium monohydride cah  
36 CaH+ Calcium monohydride cation cah+  
37 ZnH Zinc monohydride znh  
38 CaH2 Calcium Hydride cah2  
39 ZnH2 Zinc hydride znh2  
40 B- Boron atom anion b-  
41 BH- boron monohydride anion bh-  
42 BH+ boron monohydride cation bh+  
43 AlH aluminum monohydride alh  
44 AlH- aluminum monohydride anion alh-  
45 AlH+ aluminum monohydride cation alh+  
46 BH2 boron dihydride bh2  
47 AlH2 aluminum dihydride alh2  
48 AlH2- aluminum dihydride anion alh2-  
49 AlH2+ aluminum dihydride cation alh2+  
50 BH3- boron trihydride anion bh3-  
51 AlH3+ aluminum trihydride cation alh3+  
52 AlH4- Aluminum tetrahydride anion alh4-  
53 C- Carbon atom anion c-  
54 Ti Titanium atom ti  
55 Ti- Titanium atom anion ti-  
56 Ti+ Titanium atom cation ti+  
57 Sn Tin atom sn  
58 Sn+ Tin cation sn+  
59 CH- methylidyne anion ch-  
60 CH+ Methylidyne cation ch+  
61 SiH2- silicon dihydride anion sih2-  
62 SiH2+ silicon dihydride cation sih2+  
63 SiH3- Silyl anion sih3-  
64 CH4+ Methane cation ch4+  
65 SiH4+ Silane cation sih4+  
66 SnH4 Stannane snh4  
67 N- Nitrogen atom anion n-  
68 P- Phosphorus atom anion p-  
69 P+ Phosphorus atom cation p+  
70 Sb Antimony atom sb  
71 NH Imidogen nh  
72 NH- Imidogen anion nh-  
73 NH+ imidogen cation nh+  
74 PH- phosphorus monohydride anion ph-  
75 PH+ phosphorus monohydride cation ph+  
76 SbH Antimony monohydride sbh  
77 ND2 Amidogen-d2 nd2  
78 NH2- amino anion nh2-  
79 PH2 Phosphino radical ph2  
80 PH2- Phosphino anion ph2-  
81 PH2+ Phosphino cation ph2+  
82 AsH2 Arsenic dihydride ash2  
83 ND3 Ammonia-d3 nd3  
84 SbH3 Stibine sbh3  
85 O- Oxygen atom anion o-  
86 Cr Chromium atom cr  
87 Te Tellurium atom te  
88 Te+ Tellurium atom cation te+  
89 DO Hydroxyl-d od  
90 DS Mercapto-d ds  
91 TeH Telluryl radical teh  
92 D2O Deuterium oxide d2o  
93 D2S Hydrogen sulfide-d2 d2s  
94 H2Te Hydrogen Telluride h2te  
95 Mn Manganese atom mn  
96 I Iodine atom iodine  
97 I- Iodine atom anion iodine-  
98 I+ Iodine atom cation iodine+  
99 DF Hydrofluoric acid-d df  
100 DCl Hydrochloric acid-d dcl  
101 HI Hydrogen iodide hi  
102 HI+ Hydrogen iodide cation hi+  
103 H2F+ dihydrogen fluoride cation h2f+  
104 H2I+ Iodonium h2i+  
105 Ne- Neon atom anion ne-  
106 Ar- Argon atom anion ar-  
107 Ar+ Argon atom cation ar+  
108 Fe Iron atom fe  
109 Xe Xenon atom xe  
110 NeH+ neon hydrogen cation neh+  
111 XeH+ Xenon, protonated xeh+  
112 Co Cobalt atom cobalt  
113 Ni Nickel atom ni  
114 Li2- lithium diatomic anion li2-  
115 NaLi- lithium sodium anion lina-  
116 NaLi+ lithium sodium cation lina+  
117 LiK Lithium Potassium lik  
118 NaK Sodium Potassium nak  
119 NaK+ Sodium Potassium diatomic cation nak+  
120 K2 Potassium diatomic k2  
121 Cu2 Copper diatomic cu2  
122 LiBe Lithium Beryllium libe  
123 LiMg Lithium magnesium limg  
124 NaBe Sodium Beryllium nabe  
125 NaMg Sodium Magnesium namg  
126 Be2- Beryllium diatomic anion be2-  
127 Be2+ Beryllium diatomic cation be2+  
128 Mg2- magnesium diatomic anion mg2-  
129 Mg2+ magnesium diatomic cation mg2+  
130 Ca2 Calcium diatomic ca2  
131 B2- Boron diatomic anion b2-  
132 Al2 Aluminum diatomic al2  
133 Al2- aluminum diatomic anion al2-  
134 Al2+ aluminum diatomic cation al2+  
135 CaC Calcium monocarbide cac  
136 BC- boron monocarbide anion bc-  
137 BC+ boron monocarbide cation bc+  
138 C2- carbon diatomic anion c2-  
139 SiC- silicon monocarbide anion sic-  
140 SiC+ silicon monocarbide cation sic+  
141 Si2- silcon diatomic anion si2-  
142 Si2+ silcon diatomic cation si2+  
143 Ge2 Germanium diatomic ge2  
144 C2H+ Ethynyl cation c2h+  
145 ZnCH2 Zinc methylene znch2  
146 CCH2 vinylidene vinylidene  
147 CuCH3 monomethyl copper cuch3  
148 ZnCH3 Zinc monomethyl znch3  
149 CH3CH methylmethylene ch3ch  
150 CH2SiH2 silaethylene ch2sih2  
151 C2H5+ Ethyl cation c2h5+  
152 C2H6+ ethane cation c2h6+  
153 CH3SiH3 methyl silane ch3sih3  
154 GeH3CH3 methyl germane geh3ch3  
155 C2H7+ Ethane, protonated c2h7+  
156 LiN+ Lithium Nitride cation lin+  
157 BeN- Beryllium mononitride anion ben-  
158 BN- boron nitride anion bn-  
159 AlN- aluminum mononitride anion aln-  
160 AlN+ aluminum mononitride cation aln+  
161 BN+ boron nitride cation bn+  
162 AlN Aluminum nitride aln  
163 CN+ Cyano cation cn+  
164 CP Carbon monophosphide cp  
165 CP- carbon monophosphide anion cp-  
166 CP+ carbon monophosphide cation cp+  
167 SiN Silicon nitride sin  
168 SiN- silicon mononitride anion sin-  
169 SiN+ silicon mononitride cation sin+  
170 SiP- Silicon monophosphide anion sip-  
171 SiP+ Silicon monophosphide cation sip+  
172 TiN Titanium mononitride tin  
173 PN- phosphorus nitride anion pn-  
174 PN+ phosphorus nitride cation pn+  
175 P2- phosphorus diatomic anion p2-  
176 P2+ phosphorus diatomic cation p2+  
177 SbN Antimony nitride sbn  
178 As2 Arsenic diatomic as2  
179 HNB hydrogen nitrogen boron hnb  
180 HNC hydrogen isocyanide hnc  
181 HCN- Hydrogen cyanide anion hcn-  
182 HCP Phosphaethyne hcp  
183 NNH Dinitrogen monohydride nnh  
184 HPO Hydrogen phosphorus oxide hpo  
185 HPO+ Hydrogen phosphorus oxide cation hpo+  
186 CNH2+ N-protonated hydrogen isocyanide cnh2+  
187 H2CN+ hydrocyanonium cation h2cn+  
188 HCNH+ N-protonated HCN hcnh+  
189 P2H4 Diphosphine p2h4  
190 CH3PH2 Methyl phosphine ch3ph2  
191 CH3NH3+ protonated methylamine ch3nh3+  
192 LiO- lithium oxide anion lio-  
193 LiO+ lithium oxide cation lio+  
194 NaO- sodium oxide anion nao-  
195 NaO+ sodium oxide cation nao+  
196 KO Potassium monoxide ko  
197 KO+ Potassium monoxide cation ko+  
198 CuO Copper Monoxide cuo  
199 BeO- Beryllium monoxide anion beo-  
200 BeS beryllium sulfide bes  
201 MgO magnesium oxide mgo  
202 MgO- magnesium oxide anion mgo-  
203 MgO+ magnesium oxide cation mgo+  
204 CaO Calcium monoxide cao  
205 MgS magnesium sulfide mgs  
206 MgS- magnesium sulfide anion mgs-  
207 MgS+ magnesium sulfide cation mgs+  
208 CaS Calcium sulfide cas  
209 ZnO zinc monoxide zno  
210 ZnS Zinc sulfide zns  
211 BeS- Beryllium monosulfide anion bes-  
212 BeS+ Beryllium monosulfide cation bes+  
213 BO- boron monoxide anion bo-  
214 AlO Aluminum monoxide alo  
215 AlO- Aluminum monoxide anion alo-  
216 AlO+ aluminum monoxide cation alo+  
217 BS boron sulfide bs  
218 BS- boron monosulfide anion bs-  
219 BS+ boron monosulfide cation bs+  
220 AlS Aluminum sulfide als  
221 AlS- aluminum monosulfide anion als-  
222 AlS+ aluminum monosulfide cation als+  
223 BO+ boron monoxide cation bo+  
224 CS carbon monosulfide cs  
225 CS- carbon monosulfide anion cs-  
226 CS+ carbon monosulfide cation cs+  
227 SiO- silicon monoxide anion sio-  
228 SiO+ silicon monoxide cation sio+  
229 SiS- silicon monosulfide anion sis-  
230 SiS+ silicon monosulfide cation sis+  
231 CSe- Carbon monoselenide anion cse-  
232 CSe+ Carbon monoselenide cation cse+  
233 NS+ nitrogen sulfide cation ns+  
234 PO- phosphorus monoxide anion po-  
235 PO+ phosphorus monoxide cation po+  
236 PS- phosphorus monosulfide anion ps-  
237 PS+ phosphorus monosulfide cation ps+  
238 AsO Arsenic monoxide aso  
239 SO- sulfur monoxide anion so-  
240 S2- sulfur diatomic anion s2-  
241 S2+ sulfur diatomic cation s2+  
242 SeO- selenium monoxide anion seo-  
243 SeO+ selenium monoxide cation seo+  
244 SeS- selenium monosulfide anion ses-  
245 SeS+ selenium monosulfide cation ses+  
246 TeO Tellurium monoxide teo  
247 Se2- selenium diatomic anion se2-  
248 Se2+ selenium diatomic cation se2+  
249 Te2 Tellurium diatomic te2  
250 NaOH sodium hydroxide naoh  
251 KOH Potassium hydroxide koh  
252 MgOH magnesium hydroxide mgoh  
253 CaOH Calcium monohydroxide caoh  
254 HCS Thioformyl radical hcs  
255 HCS- Thioformyl anion hcs-  
256 HCS+ Thioformyl cation hcs+  
257 HNO- Nitrosyl hydride anion hno-  
258 HNS Sulfur imide hns  
259 HNS- Sulfur imide anion hns-  
260 HO2- Hydroperoxy anion ho2-  
261 CH3O Methoxy radical ch3o  
262 CH3S thiomethoxy ch3s  
263 H3O2+ hydrogen peroxide, protonated h3o2+  
264 CH3SeH Methane selenol ch3seh  
265 CH3OH2+ Methanol, protonated ch3oh2+  
266 H2ONH3 Water Ammonia Dimer h2onh3  
267 LiCl- lithium chloride anion licl-  
268 LiCl+ lithium chloride cation licl+  
269 NaF- sodium fluoride anion naf-  
270 KF Potassium Fluoride kf  
271 NaCl- sodium chloride anion nacl-  
272 NaCl+ sodium chloride cation nacl+  
273 KCl Potassium Chloride kcl  
274 CuF Copper monofluoride cuf  
275 LiBr- lithium bromide anion libr-  
276 LiBr+ lithium bromide cation libr+  
277 CuCl Copper monochloride cucl  
278 NaBr Sodium Bromide nabr  
279 NaBr- sodium bromide anion nabr-  
280 NaBr+ sodium bromide cation nabr+  
281 KBr Potassium Bromide kbr  
282 LiI Lithium Iodide lii  
283 NaI Sodium Iodide nai  
284 KI Potassium Iodide ki  
285 LiF- lithium fluoride anion lif-  
286 BeF Beryllium monofluoride bef  
287 BeF+ Beryllium monofluoride cation bef+  
288 BeCl beryllium monochloride becl  
289 MgF Magnesium monofluoride mgf  
290 MgF- magnesium fluoride anion mgf-  
291 CaF Calcium monofluoride caf  
292 MgCl magnesium monochloride mgcl  
293 MgCl- magnesium monochloride anion mgcl-  
294 MgCl+ magnesium monochloride cation mgcl+  
295 CaCl calcium monochloride cacl  
296 ZnF- Zinc monofluoride anion znf-  
297 ZnF+ Zinc monofluoride cation znf+  
298 ZnCl Zinc monochloride zncl  
299 CaBr Calcium monobromide cabr  
300 BeCl- beryllium monochloride anion becl-  
301 BeCl+ beryllium monochloride cation becl+  
302 BF- Boron monofluoride anion bf-  
303 BF+ Boron monofluoride cation bf+  
304 AlF- Aluminum monofluoride anion alf-  
305 AlF+ Aluminum monofluoride cation alf+  
306 BCl boron monochloride bcl  
307 BCl- boron monochloride anion bcl-  
308 BCl+ boron monochloride cation bcl+  
309 AlCl- aluminum monochloride anion alcl-  
310 AlCl+ aluminum monochloride cation alcl+  
311 AlI Aluminum monoiodide ali  
312 CF- carbon monofluoride anion cf-  
313 CF+ carbon monofluoride cation cf+  
314 CCl carbon monochloride ccl  
315 CCl- carbon monochloride anion ccl-  
316 CCl+ carbon monochloride cation ccl+  
317 SiCl- silicon monochloride anion sicl-  
318 SiCl+ silicon monochloride cation sicl+  
319 NF nitrogen fluoride nf  
320 NF- nitrogen monofluorine anion nf-  
321 NF+ nitrogen monofluoirde cation nf+  
322 NCl- nitrogen monochloride anion ncl-  
323 NCl+ nitrogen monochloride cation ncl+  
324 PF phosphorus monofluoride pf  
325 PF- phosphorus monofluoride anion pf-  
326 PF+ phosphorus monofluoride cation pf+  
327 PCl phosphorus chloride pcl  
328 PCl- phosphorus monochloride anion pcl-  
329 PCl+ phosphorus monochloride cation pcl+  
330 SbF Antimony monofluoride sbf  
331 SbCl Antimony monochloride sbcl  
332 FO- flourine oxide anion fo-  
333 FO+ fluorine monoxide cation fo+  
334 ClO- chlorine monoxide anion clo-  
335 SF- sulfur monofluoride anion sf-  
336 SCl- sulfur monochloride anion scl-  
337 IO Iodine monoxide io  
338 ClF- clorine monofluoride anion clf-  
339 BrF- bromine fluoride anion brf-  
340 BrF+ bromine fluoride cation brf+  
341 BrCl- bromine chloride anion brcl-  
342 BrCl+ bromine chloride cation brcl+  
343 IF Iodine monofluoride if  
344 ICl Iodine monochloride icl  
345 IBr Iodine monobromide ibr  
346 I2 Iodine diatomic i2  
347 I2+ Iodine diatomic cation i2+  
348 CHBr bromomethylene chbr  
349 DOCl Hypochlorous acid-d docl  
350 HOI Hypoiodous acid hoi  
351 FHF Hydrogen difluoride fhf  
352 FHF- Hydrogen difluoride anion fhf-  
353 NH2F monofluoroamine nh2f  
354 H2F2 Hydrogen fluoride dimer h2f2  
355 CH3I methyl iodide ch3i  
356 SiH3I Silyl Iodide sih3i  
357 Ne2 Neon diatomic ne2  
358 C3+ carbon trimer cation c3+  
359 C3H3 Propargyl radical propargyl  
360 C3H3- Propargyl anion c3h3-  
361 C3H3+ cyclopropenyl cation cpr+  
362 C3H3+ Propargyl cation c3h3+  
363 C3H5+ Allyl cation allyl+  
364 Zn(CH3)2 dimethyl zinc dmz  
365 SiH2(CH3)2 dimethylsilane dms  
366 KCN Potassium cyanide kcn  
367 CuCN Copper cyanide cucn  
368 N3- azide anion n3-  
369 HCNN diazomethyl radical hcnn  
370 CH2N2 diazirine ch2n2  
371 CH2NN diazomethane ch2nn  
372 CH3CN+ Acetonitrile cation ch3cn+  
373 CH3NC methyl isocyanide ch3nc  
374 NHCHNH2 aminomethanimine cn2h4  
375 C2H5N Aziridine c2h5n  
376 CH2CHNH2 aminoethene aminoethene  
377 CH2NCH3 N-methylmethanimine nmm  
378 NH2BHNH2 diaminoborane nh2bhnh2  
379 CH3NHCH3 Dimethylamine ch3nhch3  
380 NH2CH2NH3+ diaminoethane, protonated pdam  
381 Li2O+ dilithium oxide cation li2o+  
382 CNO- fulminate cno-  
383 NCO- cyanate nco-  
384 SCN thiocyanato radical scn  
385 SCN- thiocyanide anion scn-  
386 BO2 Boron dioxide bo2  
387 BO2- Boron dioxide anion bo2-  
388 BO2+ Boron dioxide cation bo2+  
389 N2O+ Nitrous oxide cation n2o+  
390 CO2- Carbon dioxide anion co2-  
391 OCS+ Carbonyl sulfide cation cos+  
392 SiO2 silicon dioxide sio2  
393 CS2+ Carbon disulfide cation cs2+  
394 SCTe Carbon sulfide Telluride scte  
395 NO2- Nitrogen dioxide anion no2-  
396 PO2 Phosphorus dioxide po2  
397 PO2- Phosphorus dioxide anion po2-  
398 PO2+ Phosphorus dioxide cation po2+  
399 O3- Ozone anion o3-  
400 O3+ Ozone cation o3+  
401 SO2- Sulfur dioxide anion so2-  
402 SO2+ Sulfur dioxide cation so2+  
403 S3- Sulfur trimer anion s3-  
404 TeO2 Tellurium Dioxide teo2  
405 CS2H+ Carbon disulfide, protonated cs2h+  
406 HNCO Isocyanic acid hnco  
407 HOCN cyanic acid hocn  
408 HCO2- formate anion hco2-  
409 HNNO nitrosoazane hnno  
410 HOCO+ Hydrocarboxyl cation hoco+  
411 HNO2 Nitrous acid hno2  
412 HNO2+ nitrous acid cation hno2+  
413 CH2CO+ Ketene cation ch2co+  
414 HCCOH ethynol hccoh  
415 Mg(OH)2 Magnesium dihydroxide h2mgo2  
416 CH2O2 Dioxirane diox  
417 CH2CHO Vinyloxy radical ch2cho  
418 CH3CO Acetyl radical ch3co  
419 CH3CO- Acetyl anion ch3co-  
420 CH3CO+ acetyl cation ch3co+  
421 CH2OOH CH2OOH radical ch2ooh  
422 CH3OO methylperoxy radical ch3oo  
423 CH3OO- methylperoxy anion ch3oo-  
424 CH3OO+ methylperoxy cation ch3oo+  
425 CH2CHOH ethenol ch2choh  
426 NH3CHO+ Formamide, N-Protonated nh3cho+  
427 CH3OOH Methyl peroxide ch3ooh  
428 H2OH2CO water formaldehyde dimer h2oh2co  
429 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
430 CH3CH2O Ethoxy radical ethoxy  
431 CH3OCH2 methoxymethyl radical ch3och2  
432 CH3CH2OH Ethanol etoh  
433 CH3OCH3 Dimethyl ether meome  
434 CH3OHH2O methanol water dimer ch3ohh2o  
435 H2OCH3OH water methanol dimer h2och3oh  
436 ZnF2 Zinc difluoride znf2  
437 FCN Cyanogen fluoride fcn  
438 ClCN chlorocyanogen clcn  
439 ICN Cyanogen iodide icn  
440 MgCl2 Magnesium dichloride mgcl2  
441 CaCl2 Calcium Chloride cacl2  
442 ZnCl2 Zinc dichloride zncl2  
443 CaBr2 Calcium dibromide cabr2  
444 CaF2 Calcium difluoride caf2  
445 BrNO Nitrosyl bromide brno  
446 INO Nitrosyl iodide ino  
447 CF2- Difluoromethylene anion cf2-  
448 CF2+ Difluoromethylene cation cf2+  
449 CCl2 dichloromethylene ccl2  
450 CCl2- dichloromethylene anion ccl2-  
451 CCl2+ dichloromethylene cation ccl2+  
452 SiCl2 Dichlorosilylene sicl2  
453 FOO Dioxygen monofluoride radical foo  
454 ClOO chloroperoxy radical cloo  
455 ClOO+ chloroperoxy cation cloo+  
456 OClO+ Chlorine dioxide cation oclo+  
457 ClS2 Sulfur chloride cls2  
458 OBrO Bromine dioxide radical obro  
459 NF2 Difluoroamino radical nf2  
460 NF2+ Difluoroamino cation nf2+  
461 F2O Difluorine monoxide f2o  
462 SF2+ sulfur difluoride cation sf2+  
463 Cl2O Dichlorine monoxide cl2o  
464 BrOCl Bromine hypochlorite brocl  
465 BrOBr Bromine oxide brobr  
466 I3- triiodide i3-  
467 HCCF+ fluoroacetylene cation hccf+  
468 HFCO formyl fluoride hfco  
469 COHCl Formyl chloride cohcl  
470 COHBr Formyl bromide cohbr  
471 BHF2 Difluoroborane bhf2  
472 BHCl2 Borane, dichloro- bhcl2  
473 HOClO Chlorous acid hoclo  
474 CH2FCl fluorochloromethane ch2fcl  
475 CH2FI fluoroiodomethane ch2fi  
476 CH2ClI chloroiodomethane ch2cli  
477 CH2BrI bromoiodomethane ch2bri  
478 CH2I2 Diiodomethane ch2i2  
479 CH2CHF+ fluoroethene cation ch2chf+  
480 C2H3Cl Ethene, chloro- ch2chcl  
481 C2H3Br vinyl bromide c2h3br  
482 C2H3I Vinyl iodide c2h3i  
483 CH3OCl methyl hypochlorite ch3ocl  
484 C2H5F fluoroethane c2h5f  
485 CH3CH2Cl Ethyl chloride c2h5cl  
486 CH3SiFH2 fluoromethylsilane ch3sifh2  
487 C2H5I Ethyl iodide c2h5i  
488 XeF2 Xenon difluoride xef2  
489 C4+ Carbon tetramer cation c4+  
490 C2H3CCH 1-Buten-3-yne c2h3cch  
491 H2CCCCH2 Butatriene h2cccch2  
492 C4H6 Cyclobutene c822355  
493 C4H6 Methylenecyclopropane c6142730  
494 CH2CCHCH3 1,2-Butadiene butad12  
495 CH3CCCH3 2-Butyne c503173  
496 CH3CHCHCH2 methylallyl radical c4h7  
497 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
498 CH3CHCHCH3 2-Butene, (E)- bute2e  
499 CH3CHCHCH3 2-Butene, (Z)- bute2z  
500 B(CH3)3 trimethylborane bme3  
501 Al(CH3)3 trimethyl aluminum tma  
502 C(CH3)3 Tert-butyl radical tbutyl  
503 CH2CH(CH3)2 Isobutyl radical isobutyl  
504 CH3CHCH2CH3 2-Butyl radical butyl2  
505 CH3CH(CH3)CH3 Isobutane isobutane  
506 SiH(CH3)3 trimethylsilane trimsi  
507 C2N2+ Cyanogen cation c2n2+  
508 P4 Phosphorus tetramer p4  
509 HCCCN Cyanoacetylene hcccn  
510 C3H3N acrylonitrile ch2chcn  
511 CH5N3 Guanidine guanidine  
512 CH6N3+ guanidinium ch6n3+  
513 C3H7N Cyclopropylamine cpram  
514 C3H7N Azetidine azet  
515 C2H8N2 Ethylenediamine ethdiam  
516 CH3NHNHCH3 dimethyl hydrazine dmh  
517 CH3CH(NH2)CH3 2-Propanamine pram2  
518 N(CH3)3 Trimethylamine trimeam  
519 As(CH3)3 trimethyl arsine tmas  
520 Li2O2 dilithium dioxide li2o2  
521 K2O2 dipotassium dioxide k2o2  
522 B2O2 Diboron dioxide b2o2  
523 CO3-- carbonate co3--  
524 NO3 Nitrogen trioxide no3  
525 SO3- Sulfur trioxide anion so3-  
526 SO3+ Sulfur trioxide cation so3+  
527 TeO3 Tellurium trioxide teo3  
528 HCO3- bicarbonate anion hco3-  
529 HSO3 Hydroxysulfonyl radical hso3  
530 C2H2CO cyclopropenone c2h2co  
531 HCCCHO 2-propynal hcccho  
532 C2H2O2+ Ethanedial cation c2h2o2+  
533 H2CO3 Carbonic acid h2co3  
534 H2CS3 thiocarbonic acid h2cs3  
535 H2NO3+ Nitric Acid, Protonated h2no3+  
536 CH3COO- acetate anion ch3coo-  
537 CH3ONO Methyl nitrite ch3ono  
538 H3BO3 Boric acid h3bo3  
539 H3CO3+ carbonic acid, protonated h3co3+  
540 C3H4O 2-Propyn-1-ol c107197  
541 C3H4O allenol c9000071  
542 C3H4O Cyclopropanone cpone  
543 C3H4O Methylketene c6004440  
544 NH2CONH2+ Urea cation urea+  
545 NH2CSNH2 Thiourea thiourea  
546 C2H4O2 1,3-dioxetane c2h4o2  
547 CH3COOH Acetic acid ch3cooh  
548 CH3OCHO methyl formate ch3ocho  
549 CHOCH2OH hydroxy acetaldehyde haa  
550 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
551 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
552 HCOOHH2O Formic acid water dimer hcoohh2o  
553 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
554 CH3CONH2 Acetamide acetamide  
555 C2H5OO ethylperoxy radical c2h5oo  
556 C3H6O Propylene oxide prox  
557 CH3COCH3 Acetone acetone  
558 C3H6S Thietane thietane  
559 C3H6S Thiirane, methyl- methiirane  
560 C2H6O2 1,2-Ethanediol ethdiol  
561 CH3OOCH3 dimethylperoxide dmp  
562 CH3SOCH3 Dimethyl sulfoxide dmso  
563 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
564 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
565 CH3COHCH3+ acetone, protonated acetoneh+  
566 CH3CHOHCH3 Isopropyl alcohol isoproh  
567 C3H7SH 1-Propanethiol prsh  
568 CH3CHSHCH3 2-Propanethiol isoprsh  
569 CH3SCH2CH3 Ethane, (methylthio)- etsme  
570 H2OCH3OCH3 water dimethylether dimer h2och3och3  
571 Na2F2 Sodium Fluoride Dimer na2f2  
572 Na2Cl2 Disodium dichloride na2cl2  
573 C2F2 difluoroacetylene c2f2  
574 C2Cl2 dichloroacetylene c2cl2  
575 C2Cl2+ dichloroacetylene cation c2cl2+  
576 ClNO2 Nitryl chloride clno2  
577 BrONO Bromine nitrite brono  
578 N2F2 (Z)-Difluorodiazene n2f2_z  
579 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
580 COFCl Carbonic chloride fluoride cofcl  
581 CCl2O Phosgene cl2co  
582 COBr2 Carbonic dibromide cobr2  
583 BF3- Borane, trifluoro- anion bf3-  
584 AlF2Cl Aluminum chloride difluoride alclf2  
585 ScF3 Scandium trifluoride ScF3  
586 AlFCl2 Aluminum dichloride fluoride alcl2f  
587 AlCl3 Aluminum trichloride alcl3  
588 AlBr3 Aluminum Bromide albr3  
589 ClO3 Chlorine trioxide clo3  
590 ClO3- chlorate anion clo3-  
591 BrO3- Bromate anion bro3-  
592 CF3 Trifluoromethyl radical cf3  
593 CCl3 Trichloromethyl radical ccl3  
594 CCl3- Trichloromethyl anion ccl3-  
595 CCl3+ Trichloromethyl cation ccl3+  
596 SiCl3 trichlorosilyl radical sicl3  
597 SiCl3+ trichlorosilyl cation sicl3+  
598 FOOF Perfluoroperoxide foof  
599 FSSF Difluorodisulfane fssf  
600 S2F2 Thio-thionyl fluoride s2f2  
601 SOCl2 thionyl chloride socl2  
602 SeOCl2 selenium oxychloride seocl2  
603 NF3- Nitrogen trifluoride anion nf3-  
604 NF3+ Nitrogen trifluoride cation nf3+  
605 PF3 Phosphorus trifluoride pf3  
606 AsF3 Arsenic trifluoride asf3  
607 PCl3 Phosphorus trichloride pcl3  
608 SbF3 Antimony Trifluoride sbf3  
609 SbCl3 Antimony Trichloride sbcl3  
610 AsBr3 Arsenic tribromide asbr3  
611 NI3 Nitrogen triiodide ni3  
612 PI3 Phosphorus triiodide pi3  
613 ClSSCl Disulfur dichloride s2cl2  
614 BrF3 Bromine trifluoride brf3  
615 IF3 iodone trifluoride if3  
616 CHF2Cl difluorochloromethane chf2cl  
617 CHFCl2 fluorodichloromethane chfcl2  
618 CHCl3 Chloroform chcl3  
619 SiHCl3 Trichlorosilane sihcl3  
620 CHF2I difluoroiodomethane chf2i  
621 CHFClI fluorochloroiodomethane chfcli  
622 CHCl2I dichloroiodomethane chcl2i  
623 CHClBr2 Methane, dibromochloro- chclbr2  
624 CHBr3 bromoform chbr3  
625 CHI3 Iodoform chi3  
626 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
627 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
628 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
629 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
630 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
631 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
632 C2H2Br2 1,1-dibromoethene c2h2br2  
633 CH2FCHO Fluoroacetaldehyde ch2fcho  
634 CH3COF Acetyl fluoride ch3cof  
635 CH2ClCHO chloroacetaldehyde ch2clcho  
636 CH3COCl Acetyl Chloride ch3cocl  
637 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
638 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
639 CH2CFCH3 2-fluoropropene 2fpro  
640 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
641 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
642 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
643 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
644 CH3CH2CH2Br n-propyl bromide prbr  
645 CH3CHBrCH3 i-propyl bromide iprbr  
646 C3H9O+ trimethyl oxonium cation c3h9o+  
647 C5H5- cylopentadienyl anion c5h5-  
648 C5H6 1,3-Cyclopentadiene c542927  
649 C5H6 1-Buten-3-yne, 2-methyl- c78808  
650 C5H6 3-Penten-1-yne, (E)- c2004695  
651 C5H6 3-Penten-1-yne, (Z)- c1574409  
652 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
653 C5H6 Cyclopropylacetylene c6746947  
654 C5H7 1,3-pentadienyl radical pdyl  
655 C5H7 cyclopentenyl radical cpyl  
656 C5H8 1,2-Butadiene, 3-methyl- c598254  
657 C5H8 1,2-Pentadiene c591957  
658 C5H8 1,3-Butadiene, 2-methyl- c78795  
659 C5H8 1,3-Pentadiene, (E)- c2004708  
660 C5H8 1,3-Pentadiene, (Z)- c1574410  
661 C5H8 1,4-Pentadiene c591935  
662 C5H8 1-pentyne a1pentyne  
663 C5H8 2,3-Pentadiene c591968  
664 C5H8 Cyclobutane, methylene- c1120565  
665 C5H8 Cyclopentene c142290  
666 CH3CCCH2CH3 2-Pentyne 2pentyne  
667 C5H10 1-Butene, 2-methyl- c563462  
668 C5H10 2-Butene, 2-methyl- c513359  
669 C5H10 2-Pentene, (E)- c646048  
670 C5H10 2-Pentene, (Z)- c627203  
671 C5H10 Cyclopentane c287923  
672 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
673 CH2CHCH2CH2CH3 1-pentene pentene  
674 C5H11 2-Methylbut-2-yl radical c4348350  
675 C5H12 Butane, 2-methyl- buta2  
676 C5H12 Pentane pentane  
677 C5H12 Propane, 2,2-dimethyl- neopentane  
678 Si(CH3)4 tetramethylsilane tms  
679 N2O3 Dinitrogen trioxide n2o3  
680 C3H2N2 Malononitrile c3h2n2  
681 C2H3N3 1H-1,2,4-Triazole c288880  
682 C3H4N2 1H-Pyrazole 1hpyraz  
683 C4H5N (E)-2-Butenenitrile c627269  
684 C4H5N (Z)-2-Butenenitrile c1190767  
685 C4H5N 2H-pyrrole pyrrole2  
686 C4H5N 3H-pyrrole pyrrole3  
687 C4H5N Cyclopropanecarbonitrile c5500210  
688 CH2CHCH2CN Allylcyanide ch2chch2cn  
689 C3H6N2 3-Aminopropionitrile c151188  
690 C5H8 Bicyclo[2.1.0]pentane c185944  
691 C5H8 Spiropentane c157404  
692 C4H9N Cyclobutylamine cbam  
693 C4H9N Pyrrolidine pyrrolidine  
694 C3H10N2 1,2-Diaminopropane diampr12  
695 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
696 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
697 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
698 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
699 NH(C2H5)2 diethylamine dea  
700 C3O2+ Carbon suboxide cation c3o2+  
701 CaCO3 Calcium Carbonate caco3  
702 PO4--- phosphate po4---  
703 SO4-- sulfate so4--  
704 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
705 CHOCOOH oxo acetic acid oaa  
706 H2SO4 Sulfuric acid h2so4  
707 H2SeO4 Selenic acid h2seo4  
708 C3H3NO Oxazole oxazole  
709 CH3C(O)OO acetyl peroxy radical ch3coo2  
710 CH3NO3 Methyl nitrate ch3no3  
711 H3PO4 Phosphoric Acid h3po4  
712 C4H4O Furan furan  
713 C4H4O+ Furan cation furan+  
714 C4H4S Thiophene furans  
715 C3H4O2 β–Propiolactone beta  
716 C3H4O2 2-Propenoic acid propenoic2  
717 C3H4O2 Methyl glyoxal megly  
718 C3H4O2 propanedial propanedial  
719 C3H4O2 propenalol propenalol  
720 HOCHCCHOH allenediol aldiol  
721 C2H4O3 trioxolane124 triox  
722 HOCH2COOH Hydroxyacetic acid hac  
723 CH2CHCONH2 Acrylamide c79061  
724 CH5N3S Hydrazinecarbothioamide c79196  
725 H2NCH2COOH Glycine glycine  
726 C4H6O cis-2-butenal butenal2c  
727 C4H6O Cyclobutanone cbutone  
728 C4H6O Furan, 2,3-dihydro- furan23h  
729 C4H6O Furan, 2,5-dihydro- furan25h  
730 CHOCHCHCH3 2-Butenal butenal2  
731 C4H6S Thiophene, 2,3-dihydro- thiop23h  
732 C4H6S Thiophene, 2,5-dihydro- thiop25h  
733 C2H6N2O Urea, methyl- c598505  
734 C3H6O2 1,3-Dioxolane dioxolane  
735 CH3COOCH3 methyl acetate aame  
736 CH3SSSCH3 dimethyl trisulfide c2h6s3  
737 C3H7NO dimethylformamide dmf  
738 C3H7NO Propanamide propanam  
739 C2H3OC2H5 Ethene, ethoxy- c109922  
740 C4H8O Cyclobutanol c2919235  
741 C4H8O Furan, tetrahydro- thf  
742 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
743 CH3COCH2CH3 2-Butanone buta2one  
744 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
745 CHOCH2CH2CH3 Butanal butanal  
746 C3H8O2 1,3-Propanediol c504632  
747 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
748 C3H8O2 Methane, dimethoxy- c109875  
749 C3H8O2 Propylene glycol c57556  
750 C3H8S2 1,3-Propanedithiol c109808  
751 C4H10O 1-Butanol butanol1  
752 C4H10O 1-Propanol, 2-methyl- c78831  
753 C4H10O 2-Butanol, (.+/-.)- butanol2  
754 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
755 C4H10O Ethoxy ethane etoet  
756 C4H10O Propane, 2-methoxy- c598538  
757 C4H10O+ 1-Butanol cation butanol1+  
758 C2H5SC2H5 Diethyl sulfide etset  
759 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
760 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
761 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
762 FNO3 Fluorine nitrate fno3  
763 ClONO2 Chlorine nitrate clono2  
764 TiCl4 Titanium tetrachloride ticl4  
765 ClO4- perchlorate anion clo4-  
766 BF4- tetrafluoroboron anion bf4-  
767 ClFO3 Perchloryl fluoride clfo3  
768 SO2F2 Sulfuryl fluoride so2f2  
769 SO2Cl2 Sulfuryl chloride so2cl2  
770 F3NO Nitrogen trifluoride oxide f3no  
771 F3PO Phosphoryl fluoride pf3o  
772 Cl3PO Phosphoryl chloride pcl3o  
773 CF4 Carbon tetrafluoride cf4  
774 SiF4 Silicon tetrafluoride sif4  
775 CFCl3 Trichloromonofluoromethane cfcl3  
776 CCl4 Carbon tetrachloride ccl4  
777 CCl4+ Carbon tetrachloride cation ccl4+  
778 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
779 SiCl4 Silane, tetrachloro- sicl4  
780 CF3I trifluoroiodomethane cf3i  
781 CBrCl3 Methane, bromotrichloro- cbrcl3  
782 CBr2F2 Methane, dibromodifluoro- cbr2f2  
783 GeCl4 Germanium Tetrachloride gecl4  
784 CCl3I trichloroiodomethane ccl3i  
785 CFBr3 fluorotribromomethane cfbr3  
786 CFClBrI fluorochlorobromoiodomethane cfclbri  
787 CF2I2 difluorodiiodomethane cf2i2  
788 CBr4 Carbon tetrabromide cbr4  
789 CCl2I2 dichlorodiiodomethane ccl2i2  
790 SiBr4 Silicon tetrabromide sibr4  
791 CBr3I tribromoiododmethane cbr3i  
792 CI4 tetraiodomethane ci4  
793 SiI4 silicon tetraiodide sii4  
794 C2HF3 Trifluoroethylene c2hf3  
795 C2HF3+ Trifluoroethylene cation c2hf3+  
796 CHClCCl2 Trichloroethylene chclccl2  
797 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
798 HClO4 perchloric acid hclo4  
799 HSO3F Fluorosulfonic acid hso3f  
800 CHClCCHCl 1,3-dichloroallene chclcchcl  
801 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
802 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
803 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
804 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
805 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
806 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
807 NH3BCl3 Amminetrichloroboron nh3bcl3  
808 C3H5ClO Oxirane, (chloromethyl)- c106898  
809 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
810 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
811 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
812 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
813 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
814 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
815 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
816 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
817 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
818 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
819 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
820 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
821 C4H9F 1-fluorobutane butaf1  
822 CH3CHFCH2CH3 2-fluorobutane butaf2  
823 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
824 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
825 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
826 XeF4 Xenon tetrafluoride xef4  
827 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
828 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
829 C6H4 Benzyne benzyne  
830 C6H5 phenyl phenyl  
831 C6H6 2,4-Hexadiyne hexadiyne  
832 C6H6 3,4-Dimethylenecyclobutene cb34m  
833 C6H6 Benzene benzene  
834 C6H6+ Benzene cation c6h6+  
835 C6H8 (E)-hexa-1,3,5-triene c821078  
836 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
837 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
838 C6H8 1,3-Cyclohexadiene cyhexadiene13  
839 C6H8 1,4-Cyclohexadiene cyhexadiene14  
840 C6H8 3-Methylenecyclopentene c930267  
841 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
842 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
843 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
844 C6H10 1,3-Hexadiene, (E)- hexdi13e  
845 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
846 C6H10 1,4-Hexadiene, (E)- hexdi14t  
847 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
848 C6H10 1-Butyne, 3,3-dimethyl- c917920  
849 C6H10 1-Hexyne hexyne1  
850 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
851 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
852 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
853 C6H10 2-Hexyne c764352  
854 C6H10 cyclohexene cyclohexene  
855 C6H10 Cyclopentene, 1-methyl- c693890  
856 C6H10 Cyclopentene, 3-methyl- c1120623  
857 C6H10 Cyclopentene, 4-methyl- c1759815  
858 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
859 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
860 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
861 C6H12 (E)-2-Hexene e2hexene  
862 C6H12 (E)-3-methylpent-2-ene c616126  
863 C6H12 (E)-hex-3-ene e3hexene  
864 C6H12 (Z)-3-methylpent-2-ene c922623  
865 C6H12 (Z)-hex-2-ene z2hexene  
866 C6H12 (Z)-hex-3-ene z3hexene  
867 C6H12 2,3-dimethylbut-1-ene c563780  
868 C6H12 2,3-dimethyl-but-2-ene tmeet  
869 C6H12 3-methylenepentane c760214  
870 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
871 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
872 C6H12 Cyclohexane cyclohexane  
873 C6H12 Cyclopentane, methyl- c96377  
874 C6H12 Ethylcyclobutane c4806615  
875 C6H14 Butane, 2,2-dimethyl- buta22  
876 C6H14 Butane, 2,3-dimethyl- buta23  
877 C6H14 Hexane hexane  
878 C6H14 Pentane, 2-methyl- penta2  
879 C6H14 Pentane, 3-methyl- penta3  
880 C4N2 2-Butynedinitrile c4n2  
881 C2H2N4 sym-tetrazine ttz  
882 C3H3N3 1,3,5-Triazine triazine135  
883 CH3N5 5-Aminotetrazole c4418615  
884 C4H4N2 1,3-Diazine diazine13  
885 C4H4N2 Pyrazine pyrazine  
886 C4H4N2 Pyridazine pyridazine  
887 C4H4N2 Succinonitrile c110612  
888 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
889 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
890 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
891 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
892 C5H5N E-2,4-pentadienenitrile bdcn  
893 C5H5N Pyridine pyridine  
894 B3N3H6 borazine borazine  
895 C6H6 Fulvene fulvene  
896 C4H6N2 1H-Imidazole, 2-methyl- c693981  
897 C5H7N (E)-2-Pentenenitrile c26294984  
898 C5H7N (E)-3-Pentenenitrile c16529661  
899 C5H7N (Z)-2-Pentenenitrile c25899507  
900 C5H7N 1H-Pyrrole, 1-methyl- c96548  
901 C5H7N Cyclobutanecarbonitrile c4426113  
902 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
903 C5H9N Butanenitrile, 2-methyl- c18936179  
904 C5H9N Pentanenitrile c110598  
905 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
906 C6H10 Bicyclo[3.1.0]hexane c285585  
907 C5H11N Cyclopentanamine cypentam  
908 C5H11N Piperidine piper  
909 C4H12N2 1,2-Butanediamine c4426486  
910 C4H12N2 2-Methyl-1,2-propanediamine c811938  
911 Li2CO3 Lithium Carbonate li2co3  
912 C2O4-- oxalate anion c2o4  
913 C2H3NO3 Oxamic acid oxamic  
914 C4H4O2 2(5H)-Furanone furanone  
915 C4H4O2 2-Oxetanone, 4-methylene- c674828  
916 C2H4N2O2 Oxalamide oxalamide  
917 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
918 C3H4S3 1,3-Dithiolane-2-thione c822388  
919 C4H5NO 3-Methylisoxazole isox3m  
920 C4H5NO Isoxazole, 5-methyl- c5765446  
921 C4H5NS 4-Methylthiazole c693958  
922 C2H5NO3 Nitric acid, ethyl ester c625581  
923 C5H6O 2-methylfuran furan2m  
924 C5H6O 3-Methylfuran furan3m  
925 C5H6S Thiophene, 2-methyl- c554143  
926 C5H6S Thiophene, 3-methyl- c616444  
927 C4H6O2 2,3-Butanedione c431038  
928 C4H6O2 2-Propenoic acid, methyl ester c96333  
929 C4H6O2 Crotonic Acid crot  
930 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
931 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
932 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
933 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
934 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
935 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
936 C4H6OS Vinyl sulfoxide c1115157  
937 CH6N4S Carbonothioic dihydrazide thiacarb  
938 C2H6N2O2 (E)-Azodioxymethane c37765154  
939 C2H6N2O2 Dimethylnitroamine c4164287  
940 C3H6O3 1,3,5-Trioxane trioxane  
941 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
942 C2H6O3S Sulfurous acid, dimethyl ester c616422  
943 C4H7NO 2-Pyrrolidinone c616455  
944 C4H7NO Ethoxyacetonitrile etoaccn  
945 C4H7NO Methacrylamide c79390  
946 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
947 HCONH2CN2H4 formamide aminomethanimine dimer d13  
948 C3H7ONO Propyl nitrite prono  
949 CH3CH(CH3)ONO Isopropyl nitrite c541424  
950 CH3CH(NH2)COOH Alanine alanine  
951 CH3NHCH2COOH Sarcosine sarcosine  
952 NH2CH2CH2COOH β–alanine betaalanine  
953 NH2COOC2H5 Urethane urethane  
954 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
955 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
956 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
957 NH2CONHC2H5 Urea, ethyl- c625525  
958 C4H8O2 1,3-Dioxane dioxan13  
959 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
960 C4H8O2 1,4-Dioxane dioxan14  
961 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
962 C4H8O2 Ethyl acetate c141786  
963 C4H8OS s-Ethyl thioacetate c625605  
964 C3H8O3 1,2,3-Propanetriol glycerin  
965 C3H8O2S (Methylsulfonyl)ethane c594434  
966 C4H9NO Butanamide c541355  
967 C4H9NO Propanamide, 2-methyl- c563837  
968 C5H10O 2-Butanone, 3-methyl- c563804  
969 C5H10O 2H-Pyran, tetrahydro- c142687  
970 C5H10O 2-Pentanone mpk  
971 C5H10O Cyclopentanol c96413  
972 C5H10O Oxetane, 3,3-dimethyl- c6921353  
973 C5H10O Pentanal pal  
974 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
975 C5H10S 3-Ethylthio-1-propene c5296628  
976 C5H10S Cyclopentanethiol c1679078  
977 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
978 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
979 C4H10O2 1,1-Dimethoxyethane c534156  
980 C4H10O2 1,3-Butanediol budiol13  
981 C4H10O2 1,4-Butanediol budiol14  
982 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
983 C4H10OS Diethyl sulfoxide c70291  
984 C4H10S2 1,4-Butanedithiol budisl14  
985 C4H11NO Diethylhydroxylamine c3710847  
986 C5H12O 1-Butanol, 2-methyl- c137326  
987 C5H12O 1-Butanol, 3-methyl- c123513  
988 C5H12O 1-Pentanol pentanol1  
989 C5H12O 2-Butanol, 3-methyl- c598754  
990 C5H12O 2-Pentanol peol2  
991 C5H12O 3-Pentanol pentan3ol  
992 C5H12O Butane, 1-methoxy- meobu  
993 C5H12O Propane, 1-ethoxy- proet  
994 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
995 C5H12S 1-Butanethiol, 2-methyl- c1878188  
996 C5H12S 1-Butanethiol, 3-methyl- c541311  
997 C5H12S 1-Pentanethiol c110667  
998 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
999 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1000 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1001 C5H12S Butane, 1-(methylthio)- c628295  
1002 C5H12S Ethyl propyl sulfide c4110503  
1003 C5H12S Propane, 2-(ethylthio)- c5145993  
1004 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1005 CF3CN Acetonitrile, trifluoro- cf3cn  
1006 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1007 B2F4 Diboron tetrafluoride b2f4  
1008 C2F4 Tetrafluoroethylene c2f4  
1009 C2F4+ Tetrafluoroethylene cation c2f4+  
1010 C2FCl3 fluorotrichloroethene c2fcl3  
1011 C2Cl4 Tetrachloroethylene c2cl4  
1012 AsF5 Arsenic pentafluoride asf5  
1013 PCl5 Phosphorus pentachloride pcl5  
1014 SbCl5 Antimony pentachloride sbcl5  
1015 BrF5 bromine pentafluoride brf5  
1016 ClF5 chlorinepentafluoride clf5  
1017 IF5 pentafluoroiodine if5  
1018 CF3CHO trifluoroacetaldehyde cf3cho  
1019 CCl3CHO trichloroacetaldehyde ccl3cho  
1020 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1021 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1022 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1023 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1024 CF3COOH trifluoroacetic acid cf3cooh  
1025 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1026 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1027 C4H8Cl2 1,4-Dichlorobutane c110565  
1028 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1029 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1030 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1031 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1032 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1033 C5H11Cl Pentane, 1-chloro- pencl1  
1034 C6H5CH2 benzyl radical benzyl  
1035 C6H5CH3 toluene toluene  
1036 C7H8 cycloheptatriene cht  
1037 C7H8 Norbornadiene norbor  
1038 C7H8 Quadricyclane qucy  
1039 C7H12 Norbornane nor  
1040 C7H14 cycloheptane c7h14  
1041 C7H16 2-methylhexane 2mhex  
1042 C7H16 3-methylhexane hex3m  
1043 C7H16 heptane heptane  
1044 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1045 C6H7N 2-Methylpyridine mp  
1046 C6H5NH2 aniline aniline  
1047 C6H13N 2-Methylpiperidine pip2m  
1048 C6H13N cyclohexanamine cham  
1049 C6H15N triethylamine tea  
1050 N2O5 Dinitrogen pentoxide n2o5  
1051 C4H2O3 Maleic Anhydride malan  
1052 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1053 C5H4O2 furfural furfural  
1054 C6H5O phenoxy radical phenoxy  
1055 C5H5NO 2(1H)-Pyridinone c72762006  
1056 C5H5NO 2(3H)-Pyridinone c9000048  
1057 C5H5NO 2(5H)-Pyridinone c9000037  
1058 C5H5NO 2-Pyridinol c109104  
1059 C5H5NO 3(2H)-Pyridinone c9000004  
1060 C5H5NO 3(4H)-Pyridinone c9000026  
1061 C5H5NO 3(6H)-Pyridinone c9000015  
1062 C5H5NO 3-Pyridinol c109002  
1063 C5H5NO 4(1H)-Pryidinone c9000060  
1064 C5H5NO 4(3H)-Pryidinone c9000059  
1065 C5H5NO 4-Pyridinol c626642  
1066 C6H5OH phenol phenol  
1067 C6H6O 2,4-Cyclohexadienone c24599573  
1068 C6H5SH Benzenethiol phsh  
1069 HO2CCHNH2CH2OH Serine serine  
1070 C4H8O2S Sulfolane sulfolane  
1071 CH(C2H3)3 trivinyl methane tvm  
1072 C6H10O cyclohexanone chexo  
1073 C6H12O hexanal c6h12o  
1074 C3H7OC3H7 di-n-propyl ether propr  
1075 CF3COF trifluoroacetyl fluoride cf3cof  
1076 CF3COCl trifluoroacetyl chloride cf3cocl  
1077 SeF6 Selenium hexafluoride sef6  
1078 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1079 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1080 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1081 CCl3CHCl2 pentachloroethane ccl3chcl2  
1082 C6H5F Fluorobenzene bzf  
1083 C6H5Cl chlorobenzene bzcl  
1084 C6H5Br bromobenzene bzbr  
1085 C8H6 Calicene calicene  
1086 C6H5CCH phenylacetylene phac  
1087 C8H6 benzocyclobutadiene bcbd  
1088 C8H6 Pentalene pentalene  
1089 C6H5CHCH2 Styrene styrene  
1090 C8H8 cubane cubane  
1091 C8H8 cyclooctatetraene cot  
1092 C6H5CH2CH3 Ethylbenzene etbz  
1093 CH3C6H4CH3 meta-xylene mxylene  
1094 CH3C6H4CH3 paraxylene pxylene  
1095 C8H14 Bicyclo[2.2.2]octane bico222  
1096 C8H16 cyclooctane cyclooct  
1097 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1098 C8H18 Octane c8h18  
1099 C6H5CN phenyl cyanide phcn  
1100 C6H12N2 Triethylenediamine ted  
1101 C4O4-- squarate dianion c4o4--  
1102 S8 Octasulfur s8  
1103 C6H4O2 parabenzoquinone pbq  
1104 C4H4N2O2 Uracil uracil  
1105 C6H5OCH3 Anisole anisole  
1106 C5H9NO2 Proline proline  
1107 C6H12O2 Methyl pivalate c598981  
1108 C6H12O2 Hexanoic acid hexa  
1109 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1110 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1111 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1112 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1113 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1114 C2F6 hexafluoroethane c2f6  
1115 IF7 Iodine heptafluoride if7  
1116 C6H4F2 metadifluorobenzene mdfb  
1117 C6H4F2 orthodifluorobenzene odfb  
1118 C6H4Cl2 1,3-dichlorobenzene dcb13  
1119 C6H4Cl2 1,4-dichlorobenzene dcb14  
1120 C9H8 Indene indene  
1121 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1122 C9H12 n-propyl benzene prbz  
1123 C9H20 Nonane nonane  
1124 C(CN)4 tetracyanomethane c5n4  
1125 C5H4N4 purine purine  
1126 C8H7N Indole indole  
1127 C3H3N3O3 cyanuric acid cyanuric  
1128 C6H5NO2 Nitrobenzene c6h5no2  
1129 C6H5COOH benzoic acid benzo  
1130 CH3COC6H5 acetophenone acph  
1131 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1132 C6H3F3 Benzene trifluoride 123 bzf3a  
1133 C10H16 adamantane adamantane  
1134 C6N4 Tetracyanoethylene tcne  
1135 C10H22 Decane decane  
1136 C4F6 perfluorobutadiene c4f6  
1137 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1138 C3F8 perfluoropropane c3f8  
1139 Fe(CO)5 Iron pentacarbonyl ipc  
1140 Fe(C5H5)2 ferrocene fecp2  
1141 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1142 C12H8 Acenaphthylene acenaph  
1143 C12H10 biphenyl biphenyl  
1144 C12H10 Heptalene heptalene  
1145 C6H12O6 Inositol inositol  
1146 C6F6 hexafluorobenzene c6f6  
1147 S2F10 disulphur decafluoride s2f10  
1148 C13H10 Fluorene fluorene  
1149 C14H10 Anthracene anth  
1150 C14H10 Phenanthrene phenanthrene  
1151 C12H10N2 azobenzene azobenzene  
1152 C16H10 Pyrene pyrene  
1153 C18H12 Tetracene tetracene  
1154 C24H12 Coronene coronene  
1155 C60 Buckminsterfullerene c60