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List of which calculations are completed at MP4=FULL /cc-pVDZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li Lithium atom 2SKh
12 Li- Lithium atom anion 1SKh
13 Li+ Lithium atom cation 1SKh
14 Na Sodium atom 2SKh
15 Na+ Sodium atom cation 1SKh
16 LiH Lithium Hydride 1ΣC∞v
17 LiH+ lithium hydride cation 2ΣC∞v
18 NaH sodium hydride 1ΣC∞v
19 NaH+ sodium hydride cation 2ΣC∞v
20 Be Beryllium atom 1SKh
21 Be+ Beryllium atom cation 2SKh
22 Mg Magnesium atom 1SKh
23 Mg+ Magnesium atom cation 2SKh
24 BeH beryllium monohydride 2ΣC∞v
25 MgH magnesium monohydride 2ΣC∞v
26 CaH Calcium monohydride 2ΣC∞v
27 CaH+ Calcium monohydride cation 2ΣC∞v
28 TiH Titanium monohydride 4ΦC∞v
29 ZnH+ Zinc, protonated   
30 BeH2 beryllium dihydride 1ΣgD∞h
31 BeH2+ Beryllium dihydride cation 2ΣC∞v
32 BeH2+ Beryllium dihydride cation 2ΣuD∞h
33 BeH2+ Beryllium dihydride cation   
34 MgH2 magnesium dihydride 1ΣgD∞h
35 B Boron atom 2PKh
36 B Boron atom 4PKh
37 B+ Boron atom cation 1SKh
38 Al Aluminum atom 2PKh
39 Al- Aluminum atom anion 3PKh
40 Al+ Aluminum atom cation 1SKh
41 Sc Scandium atom 2DKh
42 Sc+ Scandium cation 3DKh
43 Ga Gallium atom 2P 
44 Ga- Gallium atom anion 3POh
45 Ga+ Gallium atom cation 1S 
46 BH Boron monohydride 1ΣC∞v
47 BH Boron monohydride 3ΠC∞v
48 BH- boron monohydride anion 4ΣC∞v
49 ScH Scandium monohydride 1ΣC∞v
50 ScH+ Scandium monohydride cation 2ΣC∞v
51 GaH Gallium monohydride 1ΣC∞v
52 GaH+ Gallium monohydride cation 2ΣC∞v
53 BH2- boron dihydride anion 3B1C2v
54 BH2- boron dihydride anion 1A1C2v
55 BH2+ Boron dihydride cation 1ΣgD∞h
56 BH3 boron trihydride 1A1'D3h
57 BH3+ boron trihydride cation 2B2C2v
58 BH3+ boron trihydride cation  C2v
59 AlH3 aluminum trihydride 1A1'D3h
60 AlH3- aluminum trihydride anion  C3v
61 ScH3 Scandium trihydride 1A1'D3h
62 ScH3 Scandium trihydride 1A1C3v
63 GaH3 Gallium trihydride 1A1'D3h
64 BH4 borohydride 2B2C2v
65 BH4- borohydride anion 1A1Td
66 C Carbon atom 3P0Kh
67 C Carbon atom 3P1Kh
68 C- Carbon atom anion 2DKh
69 C+ Carbon atom cation 2PKh
70 Si Silicon atom 3PKh
71 Si Silicon atom 1SKh
72 Si- Silicon atom anion 4SKh
73 Si+ Silicon atom cation 2PKh
74 Ge- Germanium anion 4SKh
75 Ge+ Germanium cation 2PKh
76 SiH Silylidyne 2ΠC∞v
77 SiH- silicon monohydride anion 3ΣC∞v
78 SiH+ silicon monohydride cation 1ΣC∞v
79 GeH germylidene 2ΠC∞v
80 GeH+ Germaniun monohyrdide cation 1ΣC∞v
81 CH2 Methylene 3B1C2v
82 CH2 Methylene 3ΣGD∞h
83 CH2 Methylene 1A1C2v
84 CH2- methylene anion 2B1C2v
85 CH2+ methylene cation 2A1C2v
86 CH2+ methylene cation 2ΠD∞h
87 SiH2 silicon dihydride 3B1C2v
88 GeH2 germylene 1A1C2v
89 GeH2- germylene anion 2B1C2v
90 CH3 Methyl radical 2A1D3h
91 CH3- methyl anion 1A1C3v
92 CH3+ methyl cation 1A1'D3h
93 SiH3 Silyl radical 2A1C3v
94 SiH3+ Silyl cation 1A1'D3h
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 2DKh
109 N+ Nitrogen atom cation 3PKh
110 P Phosphorus atom 4SKh
111 V Vanadium atom 4FKh
112 V+ Vanadium atom cation 5DKh
113 As Arsenic atomic 4SKh
114 As- Arsenic anion 3PKh
115 As+ Arsenic cation 3PKh
116 PH phosphorus monohydride 3Σ-C∞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 NH4 Ammonium radical   
130 NH4+ ammonium cation 1A1Td
131 PH4 Phosphoranyl radical   
132 PH4+ phosphonium cation   
133 O Oxygen atom 3SKh
134 O+ Oxygen atom cation 4SKh
135 S Sulfur atom 3PKh
136 S Sulfur atom   
137 S- Sulfur atom anion 2PKh
138 S+ Sulfur atom cation 4SKh
139 Se Selenium atom 3PKh
140 Se- Selenium atom anion 2PKh
141 Se+ Selenium atom cation 4SKh
142 OH Hydroxyl radical 2ΠC∞v
143 OH- hydroxide anion 1ΣC∞v
144 OH+ hydoxyl cation 3ΣC∞v
145 HS Mercapto radical 2ΠC∞v
146 HS- mercapto anion 1ΣC∞v
147 HS+ sulfur monohydride cation 3ΣC∞v
148 CrH Chromium hydride 6ΣC∞v
149 CrH+ Chromium hydride cation 5ΣC∞v
150 HSe Selenium monohydride 2ΠC∞v
151 HSe- selenium monohydride anion 1ΣC∞v
152 HSe+ selenium monohydride cation 3ΣC∞v
153 H2O Water 1A1C2v
154 H2O- water anion 2A1C2v
155 H2O- water anion 2A'Cs
156 H2O+ water cation 2B1C2v
157 HDO Water-d1 1A1C2v
158 H2S Hydrogen sulfide 1A1C2v
159 H2S- Hydrogen sulfide anion 2A'Cs
160 H2S+ Hydrogen sulfide cation 2B1C2v
161 H2Se Hydrogen selenide 1A1C2v
162 H2Se+ Hydrogen selenide cation 2B1C2v
163 H3O+ hydronium cation 1A1C3v
164 H3S+ Sulfonium cation 1A1C3v
165 H3Se+ Hydrogen Selenide, protonated 1A1C3v
166 F Fluorine atom 2PKh
167 F- Fluorine atom anion 1SKh
168 F+ Fluorine atom cation 3SKh
169 F+ Fluorine atom cation 1DKh
170 Cl Chlorine atom 2PKh
171 Cl- Chlorine atom anion 1SKh
172 Cl+ Chlorine atom cation 3PKh
173 Cl+ Chlorine atom cation 1DKh
174 Br Bromine atom 2PKh
175 Br- Bromine atom anion 1SKh
176 Br+ Bromine atom cation 3PKh
177 HF Hydrogen fluoride 1ΣC∞v
178 HCl Hydrogen chloride 1ΣC∞v
179 HCl+ hydrogen chloride cation 2ΠC∞v
180 HBr hydrogen bromide 1ΣC∞v
181 HBr- hydrogen bromide anion 2ΣC∞v
182 HBr+ hydrogen bromide cation 2ΠC∞v
183 H2Cl+ dihydrogen monochloride cation 1A1C2v
184 H2Br+ protonated hydrogen bromide 2A1C2v
185 Ne Neon atom 1SKh
186 Ne Neon atom   
187 Ne+ Neon atom cation 2PKh
188 Ar Argon atom 1SKh
189 Kr Krypton atom 1SKh
190 Kr+ Krypton cation 2PKh
191 HeLi+ Helium Lithium cation   
192 NeH neon hydrogen 2ΣC∞v
193 ArH+ Argon hydride cation 1ΣC∞v
194 KrH+ Protonated Krypton 1ΣC∞v
195 H2Ar H2 Ar dimer 1ΣC∞v
196 Li2 Lithium diatomic 1ΣgD∞v
197 Na2 Sodium diatomic 1ΣgD∞h
198 Na2- sodium diatomic anion 2ΣuD∞h
199 Na2+ sodium diatomic cation 2ΣgD∞h
200 Be2 Beryllium diatomic 1ΣgD∞h
201 Be2 Beryllium diatomic 3ΠgD∞h
202 BeMg Beryllium Magnesium 1ΣC∞v
203 Mg2 Magnesium diatomic 1ΣgD∞h
204 Ca2 Calcium diatomic 1ΣGD∞h
205 LiB Lithium boride 3ΠC∞v
206 LiAl Lithium Aluminum   
207 NaAl Sodium aluminum 1ΣC∞v
208 BeB Beryllium monoboride 2ΠC∞v
209 B2 Boron diatomic 3ΣgD∞h
210 B2 Boron diatomic 1ΣgD∞h
211 B2 Boron diatomic 5ΣuD∞h
212 B2+ Boron diatomic cation 2ΠD∞h
213 BAl Boron Aluminum 3ΣC∞v
214 BGa Boron Gallium 3ΣC∞v
215 AlGa Aluminum Gallium 3ΣC∞v
216 AlGa Aluminum Gallium 1ΣC∞v
217 Ga2 Gallium diatomic 3Piu 
218 HBBH Diborane(2) 3ΣGD∞h
219 LiBH4 Lithium borohydride 1A1C3v
220 B2H4 Diborane(4) D2d 1A1D2d
221 HBHHBH Diborane(4) C2V 1A1C2v
222 B2H6 Diborane 1AgD2h
223 B2H6+ Diborane cation   
224 Al2H6 dialane 1AGD2h
225 Ga2H6 digallane 1AGD2h
226 LiC Lithium Carbide 4ΣC∞v
227 BeC Beryllium Carbide 3Σ-C∞v
228 BeC Beryllium Carbide   
229 CaC Calcium monocarbide   
230 BC boron monocarbide 4Σ-C∞v
231 AlC Aluminum carbide 4ΣC∞v
232 BSi Boron silicide 4ΣC∞v
233 BSi Boron silicide 2ΣC∞v
234 C2 Carbon diatomic 1Σg+D∞h
235 C2 Carbon diatomic 3Σg- 
236 C2+ carbon diatomic cation 4ΣgD∞h
237 SiC silicon monocarbide 3ΣC∞v
238 SiC silicon monocarbide 1ΣC∞v
239 SiGe Silicon Germanium   
240 C2H Ethynyl radical 2ΣC∞v
241 C2H- Ethynyl anion 1ΣC∞v
242 C2H2 Acetylene 1ΣgD∞h
243 C2H2+ acetylene cation 2ΠuD∞h
244 C2H2+ acetylene cation   
245 CCH2 vinylidene 3B2C2v
246 H2CC- vinylidene anion   
247 HCCH- acetylene anion   
248 HCCH- acetylene anion   
249 CH3Li methyl lithium 1A1C3v
250 CH2BH methyleneborane 1A1C2v
251 C2H3 vinyl 2A'Cs
252 C2H3- vinyl anion 1A'Cs
253 C2H3+ vinyl cation 1A1C2V bridging H
254 C2H3+ vinyl cation 1A1C2V HCCH2
255 C2H4 Ethylene 1AgD2h
256 C2H4- Ethylene anion 2AgC2h
257 C2H4+ Ethylene cation 2B3D2
258 Si2H4 Disilene   
259 CH3BH2 methylborane 1A'Cs
260 C2H5 Ethyl radical 2A'Cs
261 C2H5- Ethyl anion 1A'Cs
262 C2H6 Ethane 1A1gD3d
263 C2H6 Ethane 1A1'D3h
264 Si2H6 disilane 1EuD3d
265 LiP Lithium monophosphide   
266 LiP Lithium monophosphide   
267 BeN Beryllium mononitride 4ΣC∞v
268 BeN Beryllium mononitride 2ΠC∞v
269 BeN+ Beryllium mononitride cation 3ΣC∞v
270 BeN+ Beryllium mononitride cation 1ΣC∞v
271 MgN Magnesium Nitride   
272 MgN Magnesium Nitride   
273 BP Boron monophosphide 3ΠC∞v
274 BP Boron monophosphide 1ΣC∞v
275 AlP Aluminum monophosphide 3ΣC∞v
276 AlP Aluminum monophosphide 3ΠC∞v
277 AlP Aluminum monophosphide 1ΣC∞v
278 GaN Gallium mononitride 3ΠC∞v
279 GaN Gallium mononitride 1ΣC∞v
280 GaP Gallium monophosphide 3ΣC∞v
281 GaP Gallium monophosphide 1ΣC∞v
282 GaAs Gallium arsenide 3Π 
283 GaAs Gallium arsenide 1Σ 
284 BN boron nitride 3ΠC∞v
285 BN boron nitride 1ΣC∞v
286 CN Cyano radical 2ΣC∞v
287 CN- cyanide anion 1ΣC∞v
288 SiP Silicon monophosphide 2ΠC∞v
289 N2 Nitrogen diatomic 1ΣgD∞h
290 N2- nitrogen diatomic anion 2ΠgD∞h
291 N2+ diatomic nitrogen cation 2ΣgD∞h
292 P2 Phosphorus diatomic 1ΣgD∞h
293 AsN Arsenic mononitride 1ΣC∞v
294 AsP Arsenic monophosphide 1ΣC∞v
295 HCN Hydrogen cyanide 1ΣC∞v
296 HCN+ hydrogen cyanide cation 2ΠC∞v
297 HNC+ hydrogen isocyanide cation   
298 NNH+ Dinitrogen monohydride cation 1ΣC∞v
299 LiNH2 lithium amide   
300 HBNH Boranimine 1ΣC∞v
301 CNH2 Aminomethylidyne radical 2B2C2v
302 H2CN Dihydrogen cyanide radical 2B2C2v
303 HCNH methyleneazane 2A'CS cis
304 HCNH methyleneazane 2A'CS trans
305 N2H2 (E)-diazene 1AgC2h
306 N2H2 (Z)-Diazene 1A1C2v
307 N2H2+ trans-diazene cation 2AGC2h
308 CH2NH Methanimine 1A'Cs
309 CH2NH+ Methanimine cation   
310 CHNH2 aminomethylene   
311 CHNH2+ Aminocarbene cation   
312 CH2PH Phosphaethene 1A'Cs
313 BH2NH2 Boranamine   
314 CH2NH2+ methyleneamine cation 1A1C2v
315 N2H4 Hydrazine 1AC2
316 N2H4+ hydrazine cation 2AGC2h
317 CH3NH2 methyl amine 1A'Cs
318 CH3NH2+ methyl amine cation 2A'Cs
319 SiH3NH2 Silane, amino   
320 N2H5+ protonated hydrazine 1A'Cs
321 BH3PH3 borane phosphine   
322 BH3NH3 borane ammonia 1A1C3v
323 CH3NH3 methyl ammonium radical 2A1C3v
324 CH3PH3+ methyl phosphine, protonated 1A1C3v
325 NH3NH3 Ammonia Dimer 1AgC2h
326 NH3NH3 Ammonia Dimer 1A'Cs
327 N2H7+ ammonia ammonium dimer   
328 LiO lithium oxide 2ΣC∞v
329 LiS Lithium monosulfide 2ΠC∞v
330 LiS+ Lithium sulfide cation 3ΣC∞v
331 NaO sodium monoxide 2ΣC∞v
332 NaS Sodium sulfide 2ΠC∞v
333 BeO beryllium oxide 1ΣC∞v
334 BeO+ Beryllium monoxide cation 2ΠC∞v
335 CaO Calcium monoxide 1ΣC∞v
336 CaS Calcium sulfide 1ΣC∞v
337 BO boron monoxide 2ΣC∞v
338 ScO Scandium monoxide 2ΣC∞v
339 GaO Gallium monoxide 2ΣC∞v
340 CO Carbon monoxide 1ΣC∞v
341 CO- carbon monoxide anion 2ΠC∞v
342 CO+ carbon monoxide cation 2ΣC∞v
343 TiO Titanium monoxide 3ΔC∞v
344 GeO Germanium monoxide 1ΣC∞v
345 GeO+ Germanium monoxide cation 2ΣC∞v
346 GeS Germanium monosulfide 1ΣC∞v
347 SiSe Silicon Monoselenide   
348 SiSe+ Silicon Monoselenide cation   
349 NO Nitric oxide 2ΠC∞v
350 NO- nitric oxide anion 3ΣC∞v
351 NO+ nitric oxide cation 1ΣC∞v
352 NS Mononitrogen monosulfide 2ΠC∞v
353 NS- nitrogen sulfide anion 3ΣC∞v
354 PO Phosphorus monoxide 2ΠC∞v
355 PS phosphorus sulfide 2ΣC∞v
356 VO Vanadium monoxide 4Σ- 
357 NSe Nitrogen monoselenide 2ΠC∞v
358 AsS Arsenic monosulfide 2ΠC∞v
359 PSe Phosphorus monoselenide 2ΠC∞v
360 AsSe Arsenic monoselenide 2ΠC∞v
361 O2 Oxygen diatomic 3ΣgD∞h
362 O2 Oxygen diatomic 1ΔgD∞h
363 O2- oxygen diatomic anion 2ΠD∞h
364 O2+ diatomic oxygen cation 2ΠgD∞h
365 SO Sulfur monoxide 3ΣC∞v
366 SO+ sulfur monoxide cation 2ΠC∞v
367 S2 Sulfur diatomic 3ΣgD∞h
368 SeO Selenium monoxide 3ΣC∞v
369 LiOH lithium hydroxide 1ΣC∞v
370 BeOH beryllium monohydroxide 2A'Cs
371 BeOH beryllium monohydroxide 2ΣC∞v
372 HBO Boron hydride oxide 1ΣC∞v
373 COH Hydroxymethylidyne   
374 COH+ Carbon Monoxide, protonated 1ΣC∞v
375 HCO- formyl anion 1A'Cs
376 HNO+ Nitrosyl hydride cation 2A'Cs
377 NOH Hydroxyimidogen 3A"Cs
378 NOH+ O-protonated nitric oxide 2A'Cs
379 HO2 Hydroperoxy radical 2A"Cs
380 HO2+ Hydroperoxy cation 3A"Cs
381 HSO+ Sulfur Monoxide, S-protonated   
382 SOH Sulfur Hydroxide   
383 SOH+ Sulfur Monoxide, protonated   
384 HS2 Thiosulfeno radical 2A"Cs
385 H2CO Formaldehyde 1A1C2v
386 H2CO- formaldehyde anion 2A'Cs
387 H2CO- formaldehyde anion   
388 H2CO+ formaldehyde cation 2B2C2v
389 HOCH hydroxycarbene 1A'CS trans
390 HOCH hydroxycarbene 1A'CS cis
391 H2CS Thioformaldehyde 1A1C2v
392 H2CS- thioformaldehyde anion   
393 H2CS- thioformaldehyde anion   
394 H2CS+ thioformaldehyde cation 2B2C2v
395 H2NO nitroxide 2B1C2v
396 H2NO nitroxide 2A'Cs
397 H2O2 Hydrogen peroxide 1AC2
398 H2O2 Hydrogen peroxide 1AgC2h
399 H2O2+ Hydrogen peroxide cation 2BgC2h
400 H2O2+ Hydrogen peroxide cation 2A1C2v
401 H2OO water oxide   
402 HOSH hydrogen thioperoxide   
403 H2S2 Disulfane 1AC2
404 H2S2+ hydrogen disulfide cation 2BgC2h
405 CH2OH Hydroxymethyl radical 2AC1
406 CH2OH+ hydroxymethyl cation 1A'Cs
407 CH3O- methoxy anion 1A1C3v
408 CH3O+ Methoxy cation 3A1C3v
409 H2CSH+ Thioformaldehyde, protonated 1A'Cs
410 NH2OH hydroxylamine 1A'Cs
411 NH2OH+ Hydroxylamine cation   
412 NH3O Ammonia Oxide 1A1C3v
413 H2POH Phosphinous acid 1A1'CS trans
414 H2POH Phosphinous acid 1A1'CS cis
415 H3PO Phosphine oxide 1A1C3v
416 NH2SH Thiohydroxylamine   
417 NH2SH Thiohydroxylamine   
418 NH3S sulfidoazane   
419 CH3OH Methyl alcohol 1A'Cs
420 CH3OH- Methyl alcohol anion 2A'Cs
421 CH3OH- Methyl alcohol anion 2A'CS eclipsed
422 CH3OH+ Methyl alcohol cation 2A"Cs
423 CH3OH+ Methyl alcohol cation 2AC1
424 CH3SH Methanethiol 1A'Cs
425 CH3SH+ Methanethiol cation 2A"Cs
426 SiH3OH silanol   
427 NH2OH2+ protonated hydroxylamine   
428 NH3OH+ N-protonated hydroxylamine   
429 H2OH2O water dimer 1A'Cs
430 CH3SH2+ protonated methylsulfide 1A'Cs
431 H5O2+ Dihydroxonium ion 1AC2
432 LiF lithium fluoride 1ΣC∞v
433 LiCl lithium chloride 1ΣC∞v
434 NaF sodium fluoride 1ΣC∞v
435 NaF+ sodium fluoride cation 2ΣC∞v
436 NaCl Sodium Chloride 1ΣC∞v
437 LiBr Lithium Bromide 1ΣC∞v
438 LiF+ lithium fluoride cation 2ΠC∞v
439 BeF- Beryllium monofluoride anion 1ΣC∞v
440 MgF+ magnesium fluoride cation 1ΣC∞v
441 TiCl Titanium Monochloride 4ΣC∞v
442 ZnF Zinc monofluoride 2ΣC∞v
443 CaBr Calcium monobromide   
444 BF Boron monofluoride 1ΣC∞v
445 AlCl Aluminum monochloride 1ΣC∞v
446 ScF Scandium monofluoride 1ΣC∞v
447 BBr Boron monobromide 1ΣC∞v
448 GaF Gallium monofluoride 1ΣC∞v
449 GaF+ Gallium monofluoride cation 2ΣC∞v
450 AlBr Aluminum monobromide   
451 GaCl Gallium monochloride 1ΣGC∞v
452 GaCl+ Gallium monochloride cation 2ΣC∞v
453 CF Fluoromethylidyne 2ΠC∞v
454 SiF silicon monofluoride 2ΠC∞v
455 SiF- silicon monofluoride anion 3ΣC∞v
456 SiF+ silicon monofluoride cation 1ΣC∞v
457 CBr Carbon monobromide 2ΠC∞v
458 GeF+ Germanium monofluoride cation 1ΣC∞v
459 GeCl+ Germanium monochloride cation   
460 SiBr Silicon monobromide 2ΠC∞v
461 SiBr+ Silicon monobromide cation   
462 NCl nitrogen monochloride 3ΣC∞v
463 AsF Arsenic monofluoride 3ΣC∞v
464 AsF Arsenic monofluoride 1ΔC∞v
465 NBr nitrogen monobromide 3Σ-C∞v
466 AsCl Arsenic monochloride 3ΣC∞v
467 PBr Phosphorus monobromide   
468 FO Oxygen monofluoride 2ΠC∞v
469 SF Monosulfur monofluoride 2ΠC∞v
470 SCl sulfur monochloride 2ΠC∞v
471 BrO Bromine monoxide 2ΠC∞v
472 BrO- Bromine monoxide anion 1ΣC∞v
473 SeF Selenium monofluoride 2ΠC∞v
474 SeCl Selenium monochloride 2ΠC∞v
475 BrCl Bromine monochloride 1ΣC∞v
476 F2 Fluorine diatomic 1ΣgD∞h
477 F2- flourine diatomic anion 2ΣuD∞h
478 F2+ flourine diatomic cation 2ΠgD∞h
479 ClF Chlorine monofluoride 1Σ+C∞v
480 ClF+ clorine monofluoride cation 2ΠC∞v
481 Cl2 Chlorine diatomic 1ΣgD∞h
482 Cl2- chlorine diatomic anion 2ΣuD∞h
483 Cl2+ chlorine diatomic cation 2ΠgD∞h
484 BrF Bromine monofluoride 1ΣC∞v
485 Br2 Bromine diatomic 1ΣgD∞h
486 Br2- bromine diatomic anion 2ΣuD∞h
487 Br2+ bromine diatomic cation 2ΠgD∞h
488 HCF Fluoromethylene 1A'Cs
489 HCF Fluoromethylene 3A"Cs
490 HCCl Chloromethylene 1A'Cs
491 HCCl Chloromethylene 3A"Cs
492 HOCl hypochlorous acid 1A'Cs
493 HOCl+ hypochlorous acid cation   
494 HOBr Hypobromous acid 1A'Cs
495 HOBr+ Hypobromous acid cation 2A"Cs
496 F2H+ Fluorine, protonated 1A'Cs
497 ClFH+ Chlorine fluoride, F-protonated   
498 FClH+ Chlorine fluoride, Cl-protonated   
499 Cl2H+ Chlorine, protonated 1A'Cs
500 CH2Br bromomethyl radical   
501 CH2F fluoromethyl radical 2ACs
502 CH2F+ fluoromethyl cation   
503 CH2Cl+ chloromethyl cation   
504 CH2Cl chloromethyl radical 2A'Cs
505 CH2Cl chloromethyl radical 2B1C2v
506 NH2Cl chloramine 1A'Cs
507 CH3F+ methyl fluoride cation   
508 CD3F methylfluoride-d3 1A1C3v
509 CH3F Methyl fluoride 1A1C3v
510 CD3Cl methyl chloride d3 1A1C3v
511 CH3Cl Methyl chloride 1A1C3v
512 SiH3Cl chlorosilane 1A1C1
513 CH3Br methyl bromide 1A1C3v
514 SiH3Br bromosilane 1A1C3v
515 NH3Cl+ protonated monochloroammonia   
516 CH3ClH+ methyl chloride, protonated   
517 NH4Cl Ammonium chloride   
518 LiNe+ Lithium Neon cation   
519 Ne2+ Neon diatomic cation 2ΣuD∞h
520 Ar2 Argon diatomic 1SgD∞h
521 Ar2+ Argon diatomic cation 2ΣuD∞h
522 Li3 Lithium trimer 2B2C2v
523 Li3+ Lithium trimer cation 1A1'D3h
524 C3 carbon trimer 1ΣgD∞h
525 C3 carbon trimer 1A1C2v
526 C3H3 cyclopropenyl radical 2A'Cs
527 C3H4 cyclopropene 1A1C2v
528 CH3CCH propyne 1A'C3v
529 C3H5 Allyl radical 2A2C2v
530 C3H5 Allyl radical 2A"Cs
531 CH3CHCH 1-propenyl radical 2A'Cs
532 C3H6 Cyclopropane 1A1'D3h
533 CH2CHCH3 Propene 1A'Cs
534 C3H7 n-Propyl radical 2A"C1
535 C3H7+ cyclopropane, protonated   
536 CH3CHCH3 Isopropyl radical 2AC2
537 CH3CHCH3+ Isopropyl cation 1AC2
538 C3H8 Propane 1A1C2v
539 Si3H8 trisilane   
540 LiCN lithium cyanide 1ΣC*V LiCN
541 LiCN lithium cyanide 1A'Cs
542 LiCN lithium cyanide 1ΣC*V LiNC
543 NaCN Sodium Cyanide 1ΣC∞v
544 NaCN Sodium Cyanide 1ACs
545 NaCN Sodium Cyanide 1ΣC∞v
546 ZnCN Zinc monocyanide 2ΣC∞v
547 ZnNC Zinc isocyanide 2ΣC∞v
548 CN2 3H-Diazirin-3-ylidene 1A1C2v
549 NCN Cyanoimidogen 3ΣgD∞h
550 NCN Cyanoimidogen 1ΣgD∞h
551 N3 azide radical 2ΠgD∞h
552 N3+ azide cation 3ΣgD∞h
553 N3+ azide cation 3ΣC∞v
554 HCCN cyanomethylene 3A"Cs
555 HCCN cyanomethylene 3ΣC∞v
556 HCCN cyanomethylene   
557 HN3+ Hydrazoic acid cation   
558 HNCNH diiminomethane 1AC2
559 NH2CN cyanamide 1A1C2v
560 HNNNH+ 1,2-Triazadienium   
561 CH3CN Acetonitrile 1A1C3v
562 CH3CN- acetonitrile anion 2A'Cs
563 CHNCH2 2H-Azirine   
564 CHNHCH 1H-Azirine   
565 H2CCNH Ethenimine   
566 H2CNCH methyleneaminomethylene   
567 HCCNH2 Ethynamine   
568 HCNCH2+ 2H-Azirine cation   
569 HNCNH2+ diiminomethane, protonated 1A'Cs
570 NCNH3+ Cyanamide, protonated 1A1C3v
571 NH2CNH+ cyanamide, cn protonated   
572 NH3CN+ cyanamide, amine protonated   
573 CH2CHNH vinylazine 2A"CS cis
574 CH2CHNH vinylazine 2A"CS trans
575 CH3CHN methylmethaniminyl radical 2A'Cs
576 CH3CHNH ethanimine 1A'CS NH down
577 C2H5NH+ Protonated Aziridine 1A1C2v
578 C2H6N+ aziridine, protonated 1A1C2v
579 NH2CH2NH2 diaminomethane 1A1C2v
580 CH3CH2NH2 Ethylamine   
581 CH3PHCH3 dimethylphosphine 1A'Cs
582 (CH3)2NH2+ dimethylammonium cation 1A1C2v
583 CH3CH2NH3+ ethylamine, protonated 1A'Cs
584 Li2O dilithium oxide 1ΣgD∞h
585 Li2S dilithium sulfide 1ΣGD∞h
586 Li2S dilithium sulfide 1A1C2v
587 Na2O disodium monoxide 1ΣgLinear
588 Na2O disodium monoxide 1A1C2v
589 Na2S Sodium sulfide   
590 Na2S Sodium sulfide   
591 NaO2 Sodium superoxide   
592 CCO Dicarbon monoxide 3ΣC∞v
593 CCO Dicarbon monoxide 1ΠC∞v
594 NCO isocyanato radical 2ΠC∞v
595 N2O Nitrous oxide 1ΣC∞v
596 N2O- Nitrous oxide anion 2A'Cs
597 NNS Nitrogen sulfide 1ΣC∞v
598 PPO Phosphorus oxide phosphide 1ΣC∞v
599 CO2 Carbon dioxide 1ΣgD∞h
600 CO2+ Carbon dioxide cation 2ΠC∞v
601 OCS Carbonyl sulfide 1ΣC∞v
602 CS2 Carbon disulfide 1ΣgD∞h
603 CS2- Carbon disulfide anion 2A1C2v
604 TiO2 Titanium dioxide 1A1C2v
605 SiS2 Silicon disulfide 1ΣGD∞h
606 OCSe Carbonyl selenide 1ΣC∞v
607 SCSe Carbon sulfide selenide   
608 GeS2 Germanium disulfide 1ΣGD∞h
609 CSe2 Carbon diselenide 1A1D∞h
610 NO2 Nitrogen dioxide 2A1C2v
611 NO2+ Nitrogen dioxide cation 1ΣGD∞h
612 NSO sulfinyl amidogen   
613 SNO Nitrogen oxide sulfide   
614 AsO2 Aresenic dioxide 2A1C2v
615 O3 Ozone 1A1Cs
616 SO2 Sulfur dioxide 1A1C2v
617 S3 Sulfur trimer 1A1C2v
618 S3 Sulfur trimer   
619 S3+ Sulfur trimer cation 2B2C2v
620 SeO2 Selenium dioxide 1A1C2v
621 SeO2+ Selenium dioxide cation 2A1C2v
622 HCCO ketenyl radical 2ΠC∞v
623 HCCO ketenyl radical 2A"Cs
624 HCNO fulminic acid 1ΣC∞v
625 HCNO fulminic acid 1A'Cs
626 HNCS Isothiocyanic acid   
627 HSCN thiocyanic acid 1A'Cs
628 HNNO+ Nitrous oxide, N-protonated 1A'Cs
629 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
630 HCOO formate neutral radical 2A'Cs
631 HOCO Hydrocarboxyl radical 1A'cis
632 HOCO Hydrocarboxyl radical 1A'trans
633 O3H+ protonated ozone 1A'Cs
634 O3H+ protonated ozone   
635 SO2H+ protonated sulfur dioxide 1A'Cs
636 C2H2O Oxirene 1A1C2v
637 CH2CO Ketene 1A1C2v
638 CH2CS Thioketene   
639 Be(OH)2 Beryllium hydroxide   
640 Be(OH)2 Beryllium hydroxide   
641 NH2NO Nitrosamide 1AC1
642 H2COO Dioxymethyl radical 2A'Cs
643 H2COO+ dioxymethyl cation 2A'Cs
644 HCOOH Formic acid 1A'Cs
645 HCOOH Formic acid   
646 H2O3 Hydrogen trioxide 1AC2
647 HSSSH trisulfane 1A'Cs
648 NaOCH3 Sodium methoxide 1A1C3v
649 CH2BOH hydroxy(methylene)borane 1A'Cs
650 BH3CO Borane carbonyl 1A1C3v
651 CH3BO Borane, methyloxo- 1A1C3v
652 CH2COH+ ketene, protonated   
653 CH2NOH formaldoxime 1A'Cs
654 CH3NO nitrosomethane 1A'Cs
655 CHONH2 formamide 1A'Planar
656 CHONH2 formamide 1ANon-Planar
657 CNOH3 1,2-oxaziridine 1AC1
658 HOCHNH hydroxymethylimine 1A'CS H all up
659 HOCHNH hydroxymethylimine 1A'CS OH down
660 HOCHNH hydroxymethylimine 1A'CS CH up
661 CHSNH2 thioformamide   
662 NHCHSH Methanimidothioic acid   
663 C2H4O Ethylene oxide 1A1C2v
664 C2H4O+ ethylene oxide cation   
665 CH3CHO Acetaldehyde 1A'Cs
666 CH3CHO+ acetaldehyde cation   
667 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
668 C2H4S Thiirane 1A1C2v
669 CH2CHSH Ethenethiol   
670 CH3CHS Thioacetaldehyde 1A'C1
671 H2CONH2+ protonated formamide 1A'Cs
672 NH2CHOH+ Formamide, O-protonated   
673 CH2(OH)2 methanediol 1AC2
674 CH3SSH Hydrogen methyl disulfide   
675 HSCH2SH Methanedithiol   
676 C2H4OH+ ethylene oxide, protonated 1A'Cs
677 CH3CHOH 1-hydroxy-ethyl radical 2AC1
678 CH3CHOH+ acetaldehyde, protonated 1A'Cs
679 NH2CH2OH aminomethanol   
680 CH3CH2SH ethanethiol 1A'Cs
681 CH3CH2SH ethanethiol 1AC1
682 CH3SCH3+ dimethyl sulfide cation   
683 CH3SeCH3 dimethylselenide 1A1C2v
684 CuF2 Copper difluoride 2ΠgD∞h
685 CNF iso cyanogen fluoride 1ΣC∞v
686 BrCN Cyanogen bromide 1ΣC∞v
687 BeF2 Beryllium fluoride 1ΣgD∞h
688 MgF2 Magnesium fluoride 1ΣgD∞h
689 BeCl2 Beryllium chloride 1ΣgD∞h
690 CaCl2 Calcium Chloride 1ΣgD∞h
691 CaBr2 Calcium dibromide   
692 FCO Carbonyl fluoride 2A'Cs
693 FCO+ Carbonyl fluoride cation 1ΣC∞v
694 ClCO carbonyl monochloride 2A'Cs
695 BF2 Boron difluoride radical 2A1C2v
696 FNS Thionitrosyl fluoride 1A'Cs
697 FSN Thiazyl fluoride 1A'Cs
698 OPCl Phosphorus oxychloride   
699 CF2 Difluoromethylene 1A1D∞h
700 CFCl chlorofluoromethylene 1A'Cs
701 SiF2+ Silicon difluoride cation 2A1C2v
702 GeF2 Germanium difluoride 1A1C2v
703 CBr2 dibromomethylene 1A1C2v
704 CBr2 dibromomethylene 3B1C2v
705 OClO- Chlorine dioxide anion 1A'Cs
706 ClSO Sulfur chloride oxide 2A"Cs
707 BrOO Bromine dioxide   
708 PF2 Phosphorus difluoride   
709 FClO chlorosyl fluoride 1A'Cs
710 ClOF Chlorine hypofluorite 1A'Cs
711 SF2 sulfur difluoride 1A1C2v
712 SF2- sulfur difluoride anion 2A'Cs
713 SF2- sulfur difluoride anion 2ΠD∞h
714 SCl2 Sulfur dichloride 1A1C2v
715 F3- trifluoride anion 1ΣgD∞h
716 F3- trifluoride anion 1ΣC∞v
717 Cl3- trichloride anion 1ΣgD∞h
718 SFCl Sulfur chloride fluoride   
719 HCCCl Chloroacetylene 1ΣC∞v
720 HCCBr bromoacetylene 1ΣC∞v
721 HFCO+ formyl fluoride cation 2A'Cs
722 CHCl2 dichloromethyl radical 2B1C2v
723 CHCl2 dichloromethyl radical 2A'Cs
724 CHF2+ difluoromethyl cation   
725 CHFCl Chlorofluoromethyl radical   
726 CHFCl+ Chlorofluoromethyl cation   
727 CHCl2+ dichloromethyl cation   
728 CHBr2 dibromomethyl radical   
729 NHF2 difluoramine   
730 NHCl2 dichloroamine   
731 SiH2F2 difluorosilane   
732 CH2Cl2 Methylene chloride 1A1C2v
733 CH2BrF Methane, bromofluoro- 1A'Cs
734 CH2BrCl Methane, bromochloro- 1A'Cs
735 CH2Br2 dibromomethane 1A1C2v
736 SiH2Cl2 dichlorosilane 1A1C2v
737 CH3MgBr Methyl Magnesium Bromide   
738 CH2FOH fluoromethanol   
739 CH2CH2Cl 2-chloroethyl radical 2A'Cs
740 CHClCH3 1-chloroethyl radical 2AC1
741 KrF2 Krypton difluoride 1ΣGD∞h
742 B4H10 Tetraborane(10) 1A1C2v
743 C4 Carbon tetramer 3ΣgD∞h
744 C4 Carbon tetramer   
745 C4H2 Diacetylene 1ΣgD∞h
746 C4H2+ diacetlyene cation 2ΠgD∞h
747 C4H4 cyclobutadiene 1AgD2h
748 C4H4 Tetrahedrane   
749 CH2CHCHCH2 1,3-Butadiene 1AC2
750 CHCCH2CH3 1-Butyne 1A'Cs
751 CH3CHCHCH2 methylallyl radical 2A"Cs
752 C4H8 methylcyclopropane 1A'Cs
753 CH2CHCH2CH3 1-Butene 1AC1
754 CH3CH2CH2CH3 Butane 1AgAnti
755 CH3CH2CH2CH3 Butane 1AGauche
756 Li3N trilithium nitride 1A'D3h
757 Li3N trilithium nitride 1A1C3v
758 C2N2 Cyanogen 1ΣgD∞h
759 As4 Arsenic tetramer 1A1Td
760 HCCCN+ Cyanoacetylene cation 2ΠC∞v
761 H2CNCN cyanamide, methylene   
762 HNCCNH Ethenediimine   
763 C3H3N+ acrylonitrile cation 2A"Cs
764 CH3N3 methyl azide 1A'Cs
765 NH2CCNH2 Diaminoacetylene 1AC2
766 NH2CH2CN Aminoacetonitrile 1A'Cs
767 CH3NHN2+ methyl azide, protonated 1AC1
768 C4H6 Bicyclo[1.1.0]butane 1A1C2v
769 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
770 H2NCHCHNH2 diaminoethylene   
771 CH7N3 triaminomethane   
772 C4H8 cyclobutane 1A1D2d
773 NH2CH2CH2CH3 1-Propanamine 1A'Cs
774 P(CH3)3 trimethylphosphine 1A1C3v
775 N(SiH3)3 trisilylamine   
776 (CH3)3NH+ protonated trimethyl amine   
777 C3H7NH3+ n-propylamine, protonated 1A'Cs
778 C3O Tricarbon monoxide 1ΣC∞v
779 ONNO NO dimer 1Agtrans C2H
780 ONNO NO dimer 1A1cis C2V
781 S2N2 Disulfur dinitride 1AGD2h
782 CS3-- Carbonotrithioate   
783 NO3- nitrate anion 1A1'D3h
784 NO3+ nitrogen trioxide cation 1A1C2v
785 SO3 Sulfur trioxide 1A1'D3h
786 SeO3 selenium trioxide 1A1'D3h
787 S4 Sulfur tetramer   
788 S4 Sulfur tetramer   
789 S4 Sulfur tetramer   
790 NH2NO2 nitramide 1A'Cs
791 C3H2O Propadienal   
792 C3H2O Propadienal   
793 H2SO3 Sulfurous acid 1A'Cs
794 CH3NCO methylisocyante   
795 HOCH2CN cyanomethanol   
796 CH3NO2 Methane, nitro- 1A'Cs
797 NH2COOH Carbamic acid 1A'Cs
798 NH2COOH Carbamic acid 1AC1
799 H3AlO3 Aluminum hydroxide   
800 NH2CONH2 Urea 1AC2
801 NH2CONH2 Urea 1A'Cs
802 NH2CONH2 Urea 1A1C2v
803 NH2COOH2+ Carbamic acid, O-protonated 1AC1
804 NH3COOH+ protonated Carbamic acid 1A'Cs
805 CH3COCH2 Acetonyl radical 2A"Cs
806 CH2C(OH)NH2 1-amino vinyl alchohol   
807 CH3C(OH)=NH Ethaninidic acid   
808 CH3CHNOH Acetaldoxime 1A'CS cis
809 HCONHCH3 N-methylformamide 1A'CS cis
810 CH3CSNH2 Ethanethioamide   
811 CH5N2O+ urea, N-protonated 1A'Cs
812 H2NCOHNH2+ urea, protonated 1A'Cs
813 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
814 C3H5OH Cyclopropanol 1AC1
815 C3H6O 2-Propen-1-ol 1AC1
816 C3H6O Acetone enol 1A'Cs
817 C3H6O Oxetane 1A1C2v
818 C3H6O Oxetane 1A'Cs
819 CH3CH2CHO Propanal 1A'Cs
820 CH3COCH3- acetone anion 2A'Cs
821 CH3CSCH3 Thioacetone 1A1C2v
822 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
823 CH3OC2H5 Ethane, methoxy- 1A'Cs
824 Li2F2 Lithium fluoride dimer   
825 FNO2 Nitryl fluoride 1A1C2v
826 FONO Nitrosyl hypofluorite 1A'CS cis
827 ClONO chlorine nitrite 1A'CS cis
828 CF2O+ Carbonic difluoride cation   
829 Cl2CS Thiophosgene 1A1C2v
830 BF3 Borane, trifluoro- 1A'D3h
831 BF3+ boron trifluoride cation 2B2C2v
832 BF3+ boron trifluoride cation   
833 AlF3 Aluminum trifluoride 1A1'D3h
834 ScF3 Scandium trifluoride 1A1'D3h
835 BCl3 Borane, trichloro- 1A1'D3h
836 BCl3+ Boron Trichloride cation   
837 GaF3 Gallium trifluoride 1A1'D3h
838 GaCl3 Gallium trichloride 1A1'D3h
839 BBr3 Boron tribromide 1A1'D3h
840 CF3- Trifluoromethyl anion 1A1C3v
841 CF3+ Trifluoromethyl cation 1A1'D3h
842 CF2Cl difluorochloromethyl radical   
843 SiF3 Silicon trifluoride radical 2A1C3v
844 SiF3+ Silicon trifluoride cation 1A1'D3h
845 CFCl2 dichlorofluoromethyl radical   
846 CBr3 tribromomethyl radical   
847 ClO2F Chloryl fluoride 1A'Cs
848 F2SO Thionyl Fluoride 1A'Cs
849 ClOOCl Dichlorine dioxide 1AC2
850 SSCl2 Thiothionyl chloride   
851 NCl3 nitrogen trichloride 1A1C3v
852 AsCl3 Arsenous trichloride 1A1C3v
853 NBr3 Nitrogen Tribromide 1A1C3v
854 PBr3 Phosphorus tribromide 1A1C3v
855 SF3 Sulfur trifluoride 2A'Cs
856 ClF3 Chlorine trifluoride 1A1'D3h
857 ClF3 Chlorine trifluoride 1A1C2v
858 HClO3 Chloric Acid 1A'Cs
859 HClO3 Chloric Acid 1AC1
860 SiHF3 trifluorosilane   
861 CDCl3 trichloromethane-d 1A1C3v
862 CHBrF2 Methane, bromodifluoro- 1A'Cs
863 CHFClBr fluorochlorobromomethane 1AC1
864 CHBr2F dibromofluoromethane   
865 NF3H+ protonated nitrogen trifluoride 1A1C3v
866 AsF3H+ Arsenic trifluoride, protonated   
867 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
868 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
869 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
870 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
871 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
872 C2H4F2 1,2-difluoroethane 1AgC2H anti
873 C2H4F2 1,2-difluoroethane 1AC2 gauche
874 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
875 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
876 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
877 CH2BrCH2Cl 1-bromo-2-chloroethane   
878 CH2CHCH2F Allyl Fluoride   
879 CH2FCH2OH 2-fluoroethanol   
880 CH2ClCH2OH 2-Chloroethanol 1A'Cs
881 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
882 CH2FCH2CH3 1-Fluoropropane 1A'Cs
883 CH2FCH2CH3 1-Fluoropropane   
884 CH3CHFCH3 2-Fluoropropane 1A'Cs
885 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
886 B5H9 pentaborane9   
887 C5H4 pentatetraene   
888 C5H6 Propellane 1A1D3h
889 C5H8 Bicyclo[1.1.1]pentane   
890 C5H8 Ethenylcyclopropane 1A'Cs
891 CH2N4 1H-Tetrazole 1A'Cs
892 C3H3N2 imidazolyl radical 2B1C2v
893 C3H3N2- imidizolyl anion 1A1C2v
894 C4H4N pyrrolide radical 2A2C2v
895 C4H4N- pyrrolide anion 1A1C2v
896 C3H4N2 1H-Imidazole 1A'Cs
897 C3H4N2 2H-Imidazole 1A1C2v
898 C3H4N2 4H-Imidazole 1A'Cs
899 C4H5N Pyrrole 1A1C2v
900 C4H6N+ pyrrole, alpha-protonated 1A'Cs
901 C4H6N+ pyrrole, beta-protonated 1A'Cs
902 C4H6N+ pyrrole, protonated 1A1C2v
903 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
904 CH3CH2CH2CN Butanenitrile 1A'Cs
905 NH(C2H5)2 diethylamine 1A'Cs
906 NC4H12+ tetramethyl ammonium cation 1A1Td
907 C3O2 Carbon suboxide 1ΣGD∞h
908 MgCO3 Magnesium Carbonate 1A1C2v
909 BeCO3 Beryllium Carbonate 1A1C2v
910 ONONO Nitrosyl nitrite 1A1C2v
911 HOONO2 peroxy nitric acid 1AC1
912 HSO4- bisulfate anion 1A'Cs
913 C3H2O2 Propiolic acid 1A'Cs
914 CHOOCHO diformyl ether   
915 H2SeO4 Selenic acid 1AC2
916 C3H3NO Oxazole 1A'Cs
917 C3H3NS Thiazole   
918 CH3COCCH 3-butyn-2-one 1A'Cs
919 C4H4Se selenophene   
920 C3H4O2 Methyl glyoxal 1A'Cs
921 HOCHCCHOH allenediol 1AC2
922 C2H4O3 1,2,3-trioxolane 1A'Cs
923 CH3OCH2CN Methoxyacetonitrile 1A'Cs
924 CH3OCH2CN Methoxyacetonitrile 1AC1
925 CH2CHOCHCH2 Vinyl ether 1AC1
926 CH2CHSCHCH2 Divinyl sulfide   
927 CH3CH2COOH Propanoic Acid 1A'Cs
928 HCOOC2H5 Ethyl formate 1A'Cs
929 C2H6O2S Dimethyl sulfone 1A1C2v
930 C4H8S Thiophene, tetrahydro- 1AC1
931 C4H10O 1-Butanol 1A'Cs
932 C4H10O Methyl propyl ether 1AC1
933 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
934 C4H9SH 1-Butanethiol   
935 BrONO2 Bromine nitrate 1A'Cs
936 TiF4 Titanium tetrafluoride 1A1Td
937 CF3Br Bromotrifluoromethane 1A1C3v
938 CBrCl2F bromodichlorofluoromethane   
939 CBr2ClF dibromochlorofluoromethane   
940 CBr2Cl2 dibromodichloromethane 1A1C2v
941 CFBr3 fluorotribromomethane 1A1C3v
942 CBr3Cl tribromochloromethane 1A1C3v
943 CBr4 Carbon tetrabromide 1A1Td
944 ClOF3 Chlorine trifluoride oxide 1A'Cs
945 SF4 Sulfur tetrafluoride 1A1C2v
946 SeF4 Selenium tetrafluoride   
947 CF3OH trifluoromethanol 1A'Cs
948 CH2ClCCCl 1,3-dichloropropyne   
949 CHCl2CCH 3,3-dichloropropyne   
950 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
951 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
952 SiCl3CH3 methyltrichlorosilane 1A1C3v
953 CH3CBr3 1,1,1-tribromoethane 1A1C3v
954 SiH3CCl3 (trichloromethyl)silane 1A1C3v
955 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
956 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
957 C2H2N2O Furazan   
958 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
959 NH3BF3 Amminetrifluoroboron 1A1C3v
960 C6H2 hexatriyne 1ΣgD∞h
961 C6H5- phenyl anion 1A1C2v
962 C6H6 Prismane   
963 C6H6 1,2,4,5-Hexatetraene 1AgC2h
964 C6H6 Benzvalene 1A1C2v
965 C6H6 Dewar Benzene   
966 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
967 C6H6 Trimethylenecycopropane 1A'D3h
968 C6H7+ benzene, protonated 1A1C2v
969 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
970 C6H10 1,5-Hexadiene 1AgC2
971 C6H10 3-Hexyne 1A1C2v
972 C6H12 (E)-hex-3-ene 1AGCi
973 C6H12 (Z)-hex-3-ene 1AC2
974 C6H12 2,3-dimethylbut-1-ene 1A'C2
975 C6H12 hex-1-ene 1A'Cs
976 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
977 C4H2N2 Fumaronitrile 1AgC2h
978 C5H6N+ Pyridinium 1A1C2v
979 Na2CO3 Sodium Carbonate 1A1C2v
980 MgSO4 Magnesium Sulfate 1A1C2v
981 C3H2O3 vinylene carbonate   
982 C2H2O4 Oxalic Acid 1AgC2h
983 C2H4N2S2 Ethanedithioamide 1AGC2h
984 C2H4CO3 Ethylene carbonate 1A1C2v
985 C2H4CO3 Ethylene carbonate 1AC2
986 C2H5NO3 Nitric acid, ethyl ester 1A'C1
987 C5H6O 2H-Pyran   
988 C5H6O Pentadienal   
989 C3H6O3 1,3,5-Trioxane 1A1C1
990 C3H6S3 1,3,5-Trithiane 1A1C3v
991 C4H7NO Ethoxyacetonitrile 1A'Cs
992 C5H8O Cyclopentanone 1AC2
993 C5H8O Methyl cyclopropyl ketone 1A'Cs
994 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
995 C4H8O2 Ethyl acetate 1A'Cs
996 C5H10O 2-methylbutyraldehyde 1AC1
997 C5H10O 3-Pentanone 1A1C2v
998 C4F2 difluorobutadiyne   
999 ClCOClCO Oxalyl chloride 1AGC2h
1000 B2Cl4 Diboron tetrachloride 1A1D2
1001 C2ClF3 Ethene, chlorotrifluoro-   
1002 CF2CCl2 difluorodichloroethylene 1A1C2v
1003 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1004 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1005 C2Br4 tetrabromoethene   
1006 CF3OF Trifluoromethylhypofluorite 1A'Cs
1007 SiF5- silicon pentafluoride anion   
1008 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1009 SF5 Sulfur pentafluoride 2A1C4v
1010 SF5+ pentafluoro sulfur cation 1A1'D3h
1011 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1012 CHF2CHF2 1,1,2,2-tetrafluoroethane 1AGC2h
1013 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1014 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1015 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1016 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1017 CF3COOH trifluoroacetic acid 1A'Cs
1018 C4H3ClO Furan, 2-chloro 1A'Cs
1019 C4H3ClO Furan,3-chloro 1A'Cs
1020 C7H7 cycloheptatrienyl radical 2A2C2v
1021 C7H7+ cycloheptatrienyl cation 1A1'D7h
1022 C7H14 cycloheptane 1AC2
1023 CH(CN)3 tricyanomethane   
1024 C6H15N triethylamine 1AC3
1025 C6H6O 2,5-Cyclohexadienone 1A1C2v
1026 HO2CCHNH2CH2OH Serine 1AC1
1027 C7H10 Norbornene   
1028 C3H7OC3H7 di-n-propyl ether 1AC2
1029 F2CCCF2 tetrafluoroallene   
1030 CF3COO- trifluoro acetate anion 1A'Cs
1031 CF3COF trifluoroacetyl fluoride 1A'Cs
1032 PF6 Hexafluorophosphate neutral 2B2C2v
1033 PF6- Hexafluorophosphate ion 1A1GOh
1034 SF6 Sulfur Hexafluoride 1A1GOh
1035 SeF6 Selenium hexafluoride 1A1GOh
1036 SF5Cl sulfur chloropentafluoride 1A1C4v
1037 CF3CHF2 pentafluoroethane 1A'Cs
1038 C8H6 Calicene 1A1C2v
1039 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1040 S4N4 Tetrasulfur tetranitride   
1041 C4F4 tetrafluorcyclobutadiene 1A1GD4h
1042 C4F4 tetrafluorcyclobutadiene 1AGC2h
1043 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1044 C2Cl6 hexachloroethane 1A1gD3d
1045 C6H4Cl2 1,4-dichlorobenzene   
1046 C6H5NO nitrosobenzene 1A'Cs
1047 C9H8 spiro[4.4]nona-1,3,6,8-tetraene 1A1D2d
1048 C9H20 Nonane 1A1C2v
1049 C(CN)4 tetracyanomethane 1A1Td
1050 C3H3N3O3 cyanuric acid 1A1'D3h
1051 CH3COC6H5 acetophenone 1AC1
1052 C3F6 hexafluoropropene   
1053 C6H3F3 Benzene trifluoride 123 1A1C2v
1054 C10H8 Azulene 1A1C2v
1055 C10H10 bullvalene   
1056 C12H8 biphenylene 1AgD2h
1057 C6H5COC6H5 benzophenone 1AC2

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 HeH Helium hydride heh  
10 Na- Sodium atom anion na-  
11 K Potassium atom k  
12 K- Potassium atom anion k-  
13 K+ Potassium atom cation k+  
14 Cu Copper atom cu  
15 Cu- Copper atom anion cu-  
16 Cu+ Copper atom cation cu+  
17 LiH- lithium hydride anion lih-  
18 NaH- sodium hydride anion nah-  
19 KH Potassium hydride kh  
20 KH+ Potassium hydrogen cation kh+  
21 CuH Copper monohydride cuh  
22 Be- Beryllium atom anion be-  
23 Mg- Magnesium atom anion mg-  
24 Ca Calcium atom ca  
25 Ca- Calcium atom anion ca-  
26 Ca+ Calcium atom cation ca+  
27 Zn Zinc atom zn  
28 Zn- Zinc atom anion zn-  
29 Zn+ Zinc atom cation zn+  
30 BeH- berylium monohydride anion beh-  
31 BeH+ beryllium monohydride cation beh+  
32 MgH- magnesium monohydride anion mgh-  
33 MgH+ magnesium monohydride cation mgh+  
34 ZnH Zinc monohydride znh  
35 CaH2 Calcium Hydride cah2  
36 ZnH2 Zinc hydride znh2  
37 B- Boron atom anion b-  
38 BH- boron monohydride anion bh-  
39 BH+ boron monohydride cation bh+  
40 AlH aluminum monohydride alh  
41 AlH- aluminum monohydride anion alh-  
42 AlH+ aluminum monohydride cation alh+  
43 BH2 boron dihydride bh2  
44 AlH2 aluminum dihydride alh2  
45 AlH2- aluminum dihydride anion alh2-  
46 AlH2+ aluminum dihydride cation alh2+  
47 BH3- boron trihydride anion bh3-  
48 AlH3+ aluminum trihydride cation alh3+  
49 AlH4- Aluminum tetrahydride anion alh4-  
50 C- Carbon atom anion c-  
51 Ti Titanium atom ti  
52 Ti- Titanium atom anion ti-  
53 Ti+ Titanium atom cation ti+  
54 Ge Germanium atom ge  
55 Sn Tin atom sn  
56 Sn+ Tin cation sn+  
57 CH Methylidyne ch  
58 CH- methylidyne anion ch-  
59 CH+ Methylidyne cation ch+  
60 SiH2- silicon dihydride anion sih2-  
61 SiH2+ silicon dihydride cation sih2+  
62 SiH3- Silyl anion sih3-  
63 GeH3 Germyl radical geh3  
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 AsH Arsenic monohydride ash  
77 SbH Antimony monohydride sbh  
78 ND2 Amidogen-d2 nd2  
79 NH2- amino anion nh2-  
80 PH2 Phosphino radical ph2  
81 PH2- Phosphino anion ph2-  
82 PH2+ Phosphino cation ph2+  
83 AsH2 Arsenic dihydride ash2  
84 ND3 Ammonia-d3 nd3  
85 AsH3+ Arsine cation ash3+  
86 SbH3 Stibine sbh3  
87 AsH4+ Arsonium ash4+  
88 O- Oxygen atom anion o-  
89 Cr Chromium atom cr  
90 Te Tellurium atom te  
91 Te+ Tellurium atom cation te+  
92 DO Hydroxyl-d od  
93 DS Mercapto-d ds  
94 TeH Telluryl radical teh  
95 D2O Deuterium oxide d2o  
96 D2S Hydrogen sulfide-d2 d2s  
97 H2Te Hydrogen Telluride h2te  
98 Mn Manganese atom mn  
99 I Iodine atom iodine  
100 I- Iodine atom anion iodine-  
101 I+ Iodine atom cation iodine+  
102 DF Hydrofluoric acid-d df  
103 HF- hydrogen fluoride anion hf-  
104 HF+ hydrogen fluoride cation hf+  
105 DCl Hydrochloric acid-d dcl  
106 HCl- hydrogen chloride anion hcl-  
107 HI Hydrogen iodide hi  
108 HI+ Hydrogen iodide cation hi+  
109 H2F+ dihydrogen fluoride cation h2f+  
110 H2I+ Iodonium h2i+  
111 Ne- Neon atom anion ne-  
112 Ar- Argon atom anion ar-  
113 Ar+ Argon atom cation ar+  
114 Fe Iron atom fe  
115 Xe Xenon atom xe  
116 NeH+ neon hydrogen cation neh+  
117 XeH+ Xenon, protonated xeh+  
118 Co Cobalt atom cobalt  
119 Ni Nickel atom ni  
120 Li2- lithium diatomic anion li2-  
121 NaLi lithium sodium lina  
122 NaLi- lithium sodium anion lina-  
123 NaLi+ lithium sodium cation lina+  
124 LiK Lithium Potassium lik  
125 NaK Sodium Potassium nak  
126 NaK+ Sodium Potassium diatomic cation nak+  
127 K2 Potassium diatomic k2  
128 Cu2 Copper diatomic cu2  
129 LiBe Lithium Beryllium libe  
130 LiMg Lithium magnesium limg  
131 NaBe Sodium Beryllium nabe  
132 NaMg Sodium Magnesium namg  
133 Be2- Beryllium diatomic anion be2-  
134 Be2+ Beryllium diatomic cation be2+  
135 Mg2- magnesium diatomic anion mg2-  
136 Mg2+ magnesium diatomic cation mg2+  
137 B2- Boron diatomic anion b2-  
138 Al2 Aluminum diatomic al2  
139 Al2- aluminum diatomic anion al2-  
140 Al2+ aluminum diatomic cation al2+  
141 BC- boron monocarbide anion bc-  
142 BC+ boron monocarbide cation bc+  
143 C2- carbon diatomic anion c2-  
144 SiC- silicon monocarbide anion sic-  
145 SiC+ silicon monocarbide cation sic+  
146 Si2 Silicon diatomic si2  
147 Si2- silcon diatomic anion si2-  
148 Si2+ silcon diatomic cation si2+  
149 GeC Germanium monocarbide gec  
150 Ge2 Germanium diatomic ge2  
151 C2H+ Ethynyl cation c2h+  
152 ZnCH2 Zinc methylene znch2  
153 CCH2 vinylidene vinylidene  
154 Si2H2 disilyne si2h2  
155 CuCH3 monomethyl copper cuch3  
156 ZnCH3 Zinc monomethyl znch3  
157 CH3CH methylmethylene ch3ch  
158 CH2SiH2 silaethylene ch2sih2  
159 C2H5+ Ethyl cation c2h5+  
160 C2H6+ ethane cation c2h6+  
161 CH3SiH3 methyl silane ch3sih3  
162 GeH3CH3 methyl germane geh3ch3  
163 C2H7+ Ethane, protonated c2h7+  
164 LiN Lithium Nitride lin  
165 LiN+ Lithium Nitride cation lin+  
166 BeN- Beryllium mononitride anion ben-  
167 BN- boron nitride anion bn-  
168 AlN- aluminum mononitride anion aln-  
169 AlN+ aluminum mononitride cation aln+  
170 BN+ boron nitride cation bn+  
171 AlN Aluminum nitride aln  
172 CN+ Cyano cation cn+  
173 CP Carbon monophosphide cp  
174 CP- carbon monophosphide anion cp-  
175 CP+ carbon monophosphide cation cp+  
176 SiN Silicon nitride sin  
177 SiN- silicon mononitride anion sin-  
178 SiN+ silicon mononitride cation sin+  
179 SiP- Silicon monophosphide anion sip-  
180 SiP+ Silicon monophosphide cation sip+  
181 TiN Titanium mononitride tin  
182 PN Phosphorus mononitride pn  
183 PN- phosphorus nitride anion pn-  
184 PN+ phosphorus nitride cation pn+  
185 P2- phosphorus diatomic anion p2-  
186 P2+ phosphorus diatomic cation p2+  
187 SbN Antimony nitride sbn  
188 As2 Arsenic diatomic as2  
189 HNB hydrogen nitrogen boron hnb  
190 HNC hydrogen isocyanide hnc  
191 HCN- Hydrogen cyanide anion hcn-  
192 HCP Phosphaethyne hcp  
193 HCP+ Phosphaethyne cation hcp+  
194 NNH Dinitrogen monohydride nnh  
195 HPO Hydrogen phosphorus oxide hpo  
196 HPO+ Hydrogen phosphorus oxide cation hpo+  
197 CNH2+ N-protonated hydrogen isocyanide cnh2+  
198 H2CN+ hydrocyanonium cation h2cn+  
199 HCNH+ N-protonated HCN hcnh+  
200 H2NN Isodiazene h2nn  
201 P2H4 Diphosphine p2h4  
202 CH3PH2 Methyl phosphine ch3ph2  
203 CH3NH3+ protonated methylamine ch3nh3+  
204 LiO- lithium oxide anion lio-  
205 LiO+ lithium oxide cation lio+  
206 NaO- sodium oxide anion nao-  
207 NaO+ sodium oxide cation nao+  
208 KO Potassium monoxide ko  
209 KO+ Potassium monoxide cation ko+  
210 CuO Copper Monoxide cuo  
211 LiSe Lithium monoselenide lise  
212 BeO- Beryllium monoxide anion beo-  
213 BeS beryllium sulfide bes  
214 MgO magnesium oxide mgo  
215 MgO- magnesium oxide anion mgo-  
216 MgO+ magnesium oxide cation mgo+  
217 MgS magnesium sulfide mgs  
218 MgS- magnesium sulfide anion mgs-  
219 MgS+ magnesium sulfide cation mgs+  
220 ZnO zinc monoxide zno  
221 ZnS Zinc sulfide zns  
222 BeS- Beryllium monosulfide anion bes-  
223 BeS+ Beryllium monosulfide cation bes+  
224 BO- boron monoxide anion bo-  
225 AlO Aluminum monoxide alo  
226 AlO- Aluminum monoxide anion alo-  
227 AlO+ aluminum monoxide cation alo+  
228 BS boron sulfide bs  
229 BS- boron monosulfide anion bs-  
230 BS+ boron monosulfide cation bs+  
231 AlS Aluminum sulfide als  
232 AlS- aluminum monosulfide anion als-  
233 AlS+ aluminum monosulfide cation als+  
234 GaS Gallium monosulfide gas  
235 BO+ boron monoxide cation bo+  
236 CS carbon monosulfide cs  
237 CS- carbon monosulfide anion cs-  
238 CS+ carbon monosulfide cation cs+  
239 SiO Silicon monoxide sio  
240 SiO- silicon monoxide anion sio-  
241 SiO+ silicon monoxide cation sio+  
242 SiS silicon monosulfide sis  
243 SiS- silicon monosulfide anion sis-  
244 SiS+ silicon monosulfide cation sis+  
245 CSe Carbon monoselenide cse  
246 CSe- Carbon monoselenide anion cse-  
247 CSe+ Carbon monoselenide cation cse+  
248 GeSe Germanium monoselenide gese  
249 NS+ nitrogen sulfide cation ns+  
250 PO- phosphorus monoxide anion po-  
251 PO+ phosphorus monoxide cation po+  
252 PS- phosphorus monosulfide anion ps-  
253 PS+ phosphorus monosulfide cation ps+  
254 AsO Arsenic monoxide aso  
255 O2-- dioxygen dianion o2--  
256 SO- sulfur monoxide anion so-  
257 S2- sulfur diatomic anion s2-  
258 S2+ sulfur diatomic cation s2+  
259 SeO- selenium monoxide anion seo-  
260 SeO+ selenium monoxide cation seo+  
261 SeS Selenium monosulfide ses  
262 SeS- selenium monosulfide anion ses-  
263 SeS+ selenium monosulfide cation ses+  
264 TeO Tellurium monoxide teo  
265 Se2 Selenium diatomic se2  
266 Se2- selenium diatomic anion se2-  
267 Se2+ selenium diatomic cation se2+  
268 Te2 Tellurium diatomic te2  
269 NaOH sodium hydroxide naoh  
270 KOH Potassium hydroxide koh  
271 MgOH magnesium hydroxide mgoh  
272 CaOH Calcium monohydroxide caoh  
273 HBS hydrogen boron sulfide hbs  
274 HCO Formyl radical hco  
275 HCO+ Formyl cation hco+  
276 HCS Thioformyl radical hcs  
277 HCS- Thioformyl anion hcs-  
278 HCS+ Thioformyl cation hcs+  
279 HNO Nitrosyl hydride hno  
280 HNO- Nitrosyl hydride anion hno-  
281 HNS Sulfur imide hns  
282 HNS- Sulfur imide anion hns-  
283 HO2- Hydroperoxy anion ho2-  
284 H2CSe Selenoformaldehyde h2cse  
285 H2Se2 hydrogen diselenide h2se2  
286 CH3O Methoxy radical ch3o  
287 CH3S thiomethoxy ch3s  
288 H3O2+ hydrogen peroxide, protonated h3o2+  
289 CH3SeH Methane selenol ch3seh  
290 CH3OH2+ Methanol, protonated ch3oh2+  
291 H2ONH3 Water Ammonia Dimer h2onh3  
292 LiCl- lithium chloride anion licl-  
293 LiCl+ lithium chloride cation licl+  
294 NaF- sodium fluoride anion naf-  
295 KF Potassium Fluoride kf  
296 NaCl- sodium chloride anion nacl-  
297 NaCl+ sodium chloride cation nacl+  
298 KCl Potassium Chloride kcl  
299 CuF Copper monofluoride cuf  
300 LiBr- lithium bromide anion libr-  
301 LiBr+ lithium bromide cation libr+  
302 CuCl Copper monochloride cucl  
303 NaBr Sodium Bromide nabr  
304 NaBr- sodium bromide anion nabr-  
305 NaBr+ sodium bromide cation nabr+  
306 KBr Potassium Bromide kbr  
307 LiI Lithium Iodide lii  
308 NaI Sodium Iodide nai  
309 KI Potassium Iodide ki  
310 LiF- lithium fluoride anion lif-  
311 BeF Beryllium monofluoride bef  
312 BeF+ Beryllium monofluoride cation bef+  
313 BeCl beryllium monochloride becl  
314 MgF Magnesium monofluoride mgf  
315 MgF- magnesium fluoride anion mgf-  
316 CaF Calcium monofluoride caf  
317 MgCl magnesium monochloride mgcl  
318 MgCl- magnesium monochloride anion mgcl-  
319 MgCl+ magnesium monochloride cation mgcl+  
320 CaCl calcium monochloride cacl  
321 ZnF- Zinc monofluoride anion znf-  
322 ZnF+ Zinc monofluoride cation znf+  
323 ZnCl Zinc monochloride zncl  
324 BeCl- beryllium monochloride anion becl-  
325 BeCl+ beryllium monochloride cation becl+  
326 BF- Boron monofluoride anion bf-  
327 BF+ Boron monofluoride cation bf+  
328 AlF Aluminum monofluoride alf  
329 AlF- Aluminum monofluoride anion alf-  
330 AlF+ Aluminum monofluoride cation alf+  
331 BCl boron monochloride bcl  
332 BCl- boron monochloride anion bcl-  
333 BCl+ boron monochloride cation bcl+  
334 AlCl- aluminum monochloride anion alcl-  
335 AlCl+ aluminum monochloride cation alcl+  
336 AlI Aluminum monoiodide ali  
337 GaBr Gallium monobromide gabr  
338 CF- carbon monofluoride anion cf-  
339 CF+ carbon monofluoride cation cf+  
340 CCl carbon monochloride ccl  
341 CCl- carbon monochloride anion ccl-  
342 CCl+ carbon monochloride cation ccl+  
343 SiCl Clorosilylidyne sicl  
344 SiCl- silicon monochloride anion sicl-  
345 SiCl+ silicon monochloride cation sicl+  
346 GeF Germanium monofluoride gef  
347 GeCl Germanium monochloride gecl  
348 NF nitrogen fluoride nf  
349 NF- nitrogen monofluorine anion nf-  
350 NF+ nitrogen monofluoirde cation nf+  
351 NCl- nitrogen monochloride anion ncl-  
352 NCl+ nitrogen monochloride cation ncl+  
353 PF phosphorus monofluoride pf  
354 PF- phosphorus monofluoride anion pf-  
355 PF+ phosphorus monofluoride cation pf+  
356 PCl phosphorus chloride pcl  
357 PCl- phosphorus monochloride anion pcl-  
358 PCl+ phosphorus monochloride cation pcl+  
359 SbF Antimony monofluoride sbf  
360 SbCl Antimony monochloride sbcl  
361 FO- flourine oxide anion fo-  
362 FO+ fluorine monoxide cation fo+  
363 ClO Monochlorine monoxide clo  
364 ClO- chlorine monoxide anion clo-  
365 ClO+ chlorine monoxide cation clo+  
366 SF- sulfur monofluoride anion sf-  
367 SF+ sulfur monofluoride cation sf+  
368 SCl- sulfur monochloride anion scl-  
369 SCl+ sulfur monochloride cation scl+  
370 BrO+ Bromine monoxide cation bro+  
371 SBr Sulfur monobromide radical sbr  
372 SBr+ Sulfur monobromide cation sbr+  
373 IO Iodine monoxide io  
374 SeBr Selenium monobromide sebr  
375 ClF- clorine monofluoride anion clf-  
376 BrF- bromine fluoride anion brf-  
377 BrF+ bromine fluoride cation brf+  
378 BrCl- bromine chloride anion brcl-  
379 BrCl+ bromine chloride cation brcl+  
380 IF Iodine monofluoride if  
381 ICl Iodine monochloride icl  
382 IBr Iodine monobromide ibr  
383 I2 Iodine diatomic i2  
384 I2+ Iodine diatomic cation i2+  
385 HSiF fluorosilylene hsif  
386 HSiCl Chlorosilylene hsicl  
387 HSiBr monobromosilylene hsibr  
388 CHBr bromomethylene chbr  
389 HOF Hypofluorous acid hfo  
390 DOCl Hypochlorous acid-d docl  
391 HOI Hypoiodous acid hoi  
392 FHF Hydrogen difluoride fhf  
393 FHF- Hydrogen difluoride anion fhf-  
394 NH2F monofluoroamine nh2f  
395 H2F2 Hydrogen fluoride dimer h2f2  
396 CH3Cl+ Methyl chloride cation ch3cl+  
397 SiH3F monofluorosilane sih3f  
398 GeH3F monofluorogermane geh3f  
399 GeH3Cl monochlorogermane geh3cl  
400 CH3I methyl iodide ch3i  
401 SiH3I Silyl Iodide sih3i  
402 Ne2 Neon diatomic ne2  
403 C3+ carbon trimer cation c3+  
404 SiC2 Silicon dicarbide sic2  
405 C3H3 Propargyl radical propargyl  
406 C3H3- Propargyl anion c3h3-  
407 C3H3+ cyclopropenyl cation cpr+  
408 C3H3+ Propargyl cation c3h3+  
409 CH2CCH2 allene allene  
410 C3H5+ Allyl cation allyl+  
411 Zn(CH3)2 dimethyl zinc dmz  
412 SiH2(CH3)2 dimethylsilane dms  
413 KCN Potassium cyanide kcn  
414 CuCN Copper cyanide cucn  
415 AlCN Aluminum monocyanide alcn  
416 AlNC Aluminum isocyanide alnc  
417 CNN Diazocarbene cnn  
418 N3- azide anion n3-  
419 HCNN diazomethyl radical hcnn  
420 HN3 hydrogen azide hn3  
421 CH2N2 diazirine ch2n2  
422 CH2NN diazomethane ch2nn  
423 NH2NN+ hydrazoic acid, protonated nh2nn+  
424 CH3CN+ Acetonitrile cation ch3cn+  
425 CH3NC methyl isocyanide ch3nc  
426 NHCHNH2 aminomethanimine cn2h4  
427 C2H5N Aziridine c2h5n  
428 CH2CHNH2 aminoethene aminoethene  
429 CH2NCH3 N-methylmethanimine nmm  
430 NH2BHNH2 diaminoborane nh2bhnh2  
431 CH3NHCH3 Dimethylamine ch3nhch3  
432 NH2CH2NH3+ diaminoethane, protonated pdam  
433 Li2O+ dilithium oxide cation li2o+  
434 LiO2 Lithium dioxide lio2  
435 CNO- fulminate cno-  
436 NCO- cyanate nco-  
437 SCN thiocyanato radical scn  
438 SCN- thiocyanide anion scn-  
439 BO2 Boron dioxide bo2  
440 BO2- Boron dioxide anion bo2-  
441 BO2+ Boron dioxide cation bo2+  
442 N2O+ Nitrous oxide cation n2o+  
443 CO2- Carbon dioxide anion co2-  
444 OCS+ Carbonyl sulfide cation cos+  
445 SiO2 silicon dioxide sio2  
446 CS2+ Carbon disulfide cation cs2+  
447 GeO2 Germanium dioxide geo2  
448 SCTe Carbon sulfide Telluride scte  
449 NO2- Nitrogen dioxide anion no2-  
450 PO2 Phosphorus dioxide po2  
451 PO2- Phosphorus dioxide anion po2-  
452 PO2+ Phosphorus dioxide cation po2+  
453 O3- Ozone anion o3-  
454 O3+ Ozone cation o3+  
455 SO2- Sulfur dioxide anion so2-  
456 SO2+ Sulfur dioxide cation so2+  
457 SSO Disulfur monoxide sso  
458 S3- Sulfur trimer anion s3-  
459 TeO2 Tellurium Dioxide teo2  
460 CS2H+ Carbon disulfide, protonated cs2h+  
461 HNCO Isocyanic acid hnco  
462 HOCN cyanic acid hocn  
463 HCO2- formate anion hco2-  
464 HNNO nitrosoazane hnno  
465 HOCO+ Hydrocarboxyl cation hoco+  
466 HNO2 Nitrous acid hno2  
467 HNO2+ nitrous acid cation hno2+  
468 CH2CO+ Ketene cation ch2co+  
469 HCCOH ethynol hccoh  
470 Mg(OH)2 Magnesium dihydroxide h2mgo2  
471 CH2O2 Dioxirane diox  
472 CH2CHO Vinyloxy radical ch2cho  
473 CH3CO Acetyl radical ch3co  
474 CH3CO- Acetyl anion ch3co-  
475 CH3CO+ acetyl cation ch3co+  
476 CH2OOH CH2OOH radical ch2ooh  
477 CH3OO methylperoxy radical ch3oo  
478 CH3OO- methylperoxy anion ch3oo-  
479 CH3OO+ methylperoxy cation ch3oo+  
480 CH2CHOH ethenol ch2choh  
481 NH3CHO+ Formamide, N-Protonated nh3cho+  
482 CH3OOH Methyl peroxide ch3ooh  
483 H2OH2CO water formaldehyde dimer h2oh2co  
484 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
485 CH3CH2O Ethoxy radical ethoxy  
486 CH3OCH2 methoxymethyl radical ch3och2  
487 CH3CH2OH Ethanol etoh  
488 CH3OCH3 Dimethyl ether meome  
489 CH3SCH3 Dimethyl sulfide mesme  
490 CH3OHH2O methanol water dimer ch3ohh2o  
491 H2OCH3OH water methanol dimer h2och3oh  
492 ZnF2 Zinc difluoride znf2  
493 FCN Cyanogen fluoride fcn  
494 ClCN chlorocyanogen clcn  
495 ICN Cyanogen iodide icn  
496 FBO Boron monofluoride monoxide fbo  
497 MgCl2 Magnesium dichloride mgcl2  
498 ZnCl2 Zinc dichloride zncl2  
499 BeBr2 Beryllium bromide bebr2  
500 CaF2 Calcium difluoride caf2  
501 FNO Nitrosyl fluoride fno  
502 ClNO Nitrosyl chloride clno  
503 BrNO Nitrosyl bromide brno  
504 INO Nitrosyl iodide ino  
505 CF2- Difluoromethylene anion cf2-  
506 CF2+ Difluoromethylene cation cf2+  
507 SiF2 Silicon difluoride sif2  
508 CCl2 dichloromethylene ccl2  
509 CCl2- dichloromethylene anion ccl2-  
510 CCl2+ dichloromethylene cation ccl2+  
511 SiCl2 Dichlorosilylene sicl2  
512 GeCl2 Germanium dichloride gecl2  
513 FOO Dioxygen monofluoride radical foo  
514 FOO+ Fluorine dioxide cation foo+  
515 ClOO chloroperoxy radical cloo  
516 ClOO+ chloroperoxy cation cloo+  
517 OClO Chlorine dioxide oclo  
518 OClO+ Chlorine dioxide cation oclo+  
519 ClS2 Sulfur chloride cls2  
520 OBrO Bromine dioxide radical obro  
521 NF2 Difluoroamino radical nf2  
522 NF2+ Difluoroamino cation nf2+  
523 PF2+ Phosphorus difluoride cation pf2+  
524 F2O Difluorine monoxide f2o  
525 SF2+ sulfur difluoride cation sf2+  
526 Cl2O Dichlorine monoxide cl2o  
527 SeF2 Selenium difluoride sef2  
528 BrOCl Bromine hypochlorite brocl  
529 SeCl2 Selenium Dichloride secl2  
530 SBr2 Sulfur dibromide sbr2  
531 SeBr2 Selenium dibromide sebr2  
532 BrOBr Bromine oxide brobr  
533 Br3- tribromide anion br3-  
534 I3- triiodide i3-  
535 HCCF Fluoroacetylene hccf  
536 HCCF+ fluoroacetylene cation hccf+  
537 HFCO formyl fluoride hfco  
538 COHCl Formyl chloride cohcl  
539 COHBr Formyl bromide cohbr  
540 BHF2 Difluoroborane bhf2  
541 BHCl2 Borane, dichloro- bhcl2  
542 CHF2 difluoromethyl radical chf2  
543 HOClO Chlorous acid hoclo  
544 CH2F2 Methane, difluoro- ch2f2  
545 CH2FCl fluorochloromethane ch2fcl  
546 CH2FI fluoroiodomethane ch2fi  
547 CH2ClI chloroiodomethane ch2cli  
548 CH2BrI bromoiodomethane ch2bri  
549 CH2I2 Diiodomethane ch2i2  
550 CH2CHF Ethene, fluoro- ch2chf  
551 CH2CHF+ fluoroethene cation ch2chf+  
552 C2H3Cl Ethene, chloro- ch2chcl  
553 C2H3Br vinyl bromide c2h3br  
554 C2H3I Vinyl iodide c2h3i  
555 CH3OCl methyl hypochlorite ch3ocl  
556 C2H5F fluoroethane c2h5f  
557 CH3CH2Cl Ethyl chloride c2h5cl  
558 CH3SiFH2 fluoromethylsilane ch3sifh2  
559 C2H5Br Ethyl bromide etbr  
560 C2H5I Ethyl iodide c2h5i  
561 XeF2 Xenon difluoride xef2  
562 C4+ Carbon tetramer cation c4+  
563 C2H3CCH 1-Buten-3-yne c2h3cch  
564 H2CCCCH2 Butatriene h2cccch2  
565 C4H6 Cyclobutene c822355  
566 C4H6 Methylenecyclopropane c6142730  
567 CH2CCHCH3 1,2-Butadiene butad12  
568 CH3CCCH3 2-Butyne c503173  
569 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
570 CH3CHCHCH3 2-Butene, (E)- bute2e  
571 CH3CHCHCH3 2-Butene, (Z)- bute2z  
572 B(CH3)3 trimethylborane bme3  
573 Al(CH3)3 trimethyl aluminum tma  
574 C(CH3)3 Tert-butyl radical tbutyl  
575 CH2CH(CH3)2 Isobutyl radical isobutyl  
576 CH3CHCH2CH3 2-Butyl radical butyl2  
577 CH3CH(CH3)CH3 Isobutane isobutane  
578 SiH(CH3)3 trimethylsilane trimsi  
579 C2N2+ Cyanogen cation c2n2+  
580 P4 Phosphorus tetramer p4  
581 HCCCN Cyanoacetylene hcccn  
582 C3H3N acrylonitrile ch2chcn  
583 C2H5CN ethyl cyanide c2h5cn  
584 CH5N3 Guanidine guanidine  
585 CH6N3+ guanidinium ch6n3+  
586 C3H7N Cyclopropylamine cpram  
587 C3H7N Azetidine azet  
588 C2H8N2 Ethylenediamine ethdiam  
589 CH3NHNHCH3 dimethyl hydrazine dmh  
590 CH3CH(NH2)CH3 2-Propanamine pram2  
591 N(CH3)3 Trimethylamine trimeam  
592 As(CH3)3 trimethyl arsine tmas  
593 Li2O2 dilithium dioxide li2o2  
594 Na2O2 disodium dioxide na2o2  
595 K2O2 dipotassium dioxide k2o2  
596 B2O2 Diboron dioxide b2o2  
597 CO3-- carbonate co3--  
598 NO3 Nitrogen trioxide no3  
599 SO3- Sulfur trioxide anion so3-  
600 SO3-- Sulfate dianion so3--  
601 SO3+ Sulfur trioxide cation so3+  
602 TeO3 Tellurium trioxide teo3  
603 HCO3- bicarbonate anion hco3-  
604 HNO3 Nitric acid hno3  
605 HSO3 Hydroxysulfonyl radical hso3  
606 C2H2CO cyclopropenone c2h2co  
607 HCCCHO 2-propynal hcccho  
608 C2H2O2 Ethanedial c2h2o2  
609 C2H2O2+ Ethanedial cation c2h2o2+  
610 H2CO3 Carbonic acid h2co3  
611 H2CS3 thiocarbonic acid h2cs3  
612 H2NO3+ Nitric Acid, Protonated h2no3+  
613 C2H3NO Nitrosoethylene c2h3no  
614 CH3COO- acetate anion ch3coo-  
615 CH3ONO Methyl nitrite ch3ono  
616 H3BO3 Boric acid h3bo3  
617 H3CO3+ carbonic acid, protonated h3co3+  
618 C3H4O 2-Propyn-1-ol c107197  
619 C3H4O allenol c9000071  
620 C3H4O Cyclopropanone cpone  
621 C3H4O Methylketene c6004440  
622 CH2CHCHO Acrolein c3h4o  
623 NH2CONH2+ Urea cation urea+  
624 NH2CSNH2 Thiourea thiourea  
625 C2H4O2 1,3-dioxetane c2h4o2  
626 CH3COOH Acetic acid ch3cooh  
627 CH3OCHO methyl formate ch3ocho  
628 CHOCH2OH hydroxy acetaldehyde haa  
629 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
630 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
631 HCOOHH2O Formic acid water dimer hcoohh2o  
632 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
633 CH3CONH2 Acetamide acetamide  
634 C2H5OO ethylperoxy radical c2h5oo  
635 C3H6O Propylene oxide prox  
636 CH3COCH3 Acetone acetone  
637 C3H6S Thietane thietane  
638 C3H6S Thiirane, methyl- methiirane  
639 C2H6O2 1,2-Ethanediol ethdiol  
640 CH3OOCH3 dimethylperoxide dmp  
641 CH3SOCH3 Dimethyl sulfoxide dmso  
642 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
643 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
644 CH3COHCH3+ acetone, protonated acetoneh+  
645 C3H7OH 1-Propanol proh  
646 CH3CHOHCH3 Isopropyl alcohol isoproh  
647 C3H7SH 1-Propanethiol prsh  
648 CH3CHSHCH3 2-Propanethiol isoprsh  
649 CH3SCH2CH3 Ethane, (methylthio)- etsme  
650 H2OCH3OCH3 water dimethylether dimer h2och3och3  
651 Na2F2 Sodium Fluoride Dimer na2f2  
652 Na2Cl2 Disodium dichloride na2cl2  
653 C2F2 difluoroacetylene c2f2  
654 C2Cl2 dichloroacetylene c2cl2  
655 C2Cl2+ dichloroacetylene cation c2cl2+  
656 ClNO2 Nitryl chloride clno2  
657 BrONO Bromine nitrite brono  
658 N2F2 (Z)-Difluorodiazene n2f2_z  
659 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
660 CF2O Carbonic difluoride f2co  
661 COFCl Carbonic chloride fluoride cofcl  
662 CCl2O Phosgene cl2co  
663 COBr2 Carbonic dibromide cobr2  
664 BF3- Borane, trifluoro- anion bf3-  
665 BClF2 Chlorodifluoroborane bclf2  
666 AlF2Cl Aluminum chloride difluoride alclf2  
667 AlFCl2 Aluminum dichloride fluoride alcl2f  
668 AlCl3 Aluminum trichloride alcl3  
669 AlBr3 Aluminum Bromide albr3  
670 ClO3 Chlorine trioxide clo3  
671 ClO3- chlorate anion clo3-  
672 BrO3- Bromate anion bro3-  
673 CF3 Trifluoromethyl radical cf3  
674 CCl3 Trichloromethyl radical ccl3  
675 CCl3- Trichloromethyl anion ccl3-  
676 CCl3+ Trichloromethyl cation ccl3+  
677 SiCl3 trichlorosilyl radical sicl3  
678 SiCl3+ trichlorosilyl cation sicl3+  
679 FOOF Perfluoroperoxide foof  
680 FSSF Difluorodisulfane fssf  
681 S2F2 Thio-thionyl fluoride s2f2  
682 SOCl2 thionyl chloride socl2  
683 SeOCl2 selenium oxychloride seocl2  
684 NF3 Nitrogen trifluoride nf3  
685 NF3- Nitrogen trifluoride anion nf3-  
686 NF3+ Nitrogen trifluoride cation nf3+  
687 PF3 Phosphorus trifluoride pf3  
688 AsF3 Arsenic trifluoride asf3  
689 PCl3 Phosphorus trichloride pcl3  
690 SbF3 Antimony Trifluoride sbf3  
691 SbCl3 Antimony Trichloride sbcl3  
692 AsBr3 Arsenic tribromide asbr3  
693 NI3 Nitrogen triiodide ni3  
694 PI3 Phosphorus triiodide pi3  
695 ClSSCl Disulfur dichloride s2cl2  
696 BrF3 Bromine trifluoride brf3  
697 IF3 iodone trifluoride if3  
698 CHF3 Methane, trifluoro- chf3  
699 CHF2Cl difluorochloromethane chf2cl  
700 CHFCl2 fluorodichloromethane chfcl2  
701 CHCl3 Chloroform chcl3  
702 SiHCl3 Trichlorosilane sihcl3  
703 CHBrCl2 Methane, bromodichloro- chbrcl2  
704 CHF2I difluoroiodomethane chf2i  
705 CHFClI fluorochloroiodomethane chfcli  
706 CHCl2I dichloroiodomethane chcl2i  
707 CHClBr2 Methane, dibromochloro- chclbr2  
708 CHBr3 bromoform chbr3  
709 CHI3 Iodoform chi3  
710 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
711 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
712 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
713 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
714 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
715 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
716 C2H2Br2 1,1-dibromoethene c2h2br2  
717 CH2FCHO Fluoroacetaldehyde ch2fcho  
718 CH3COF Acetyl fluoride ch3cof  
719 CH2ClCHO chloroacetaldehyde ch2clcho  
720 CH3COCl Acetyl Chloride ch3cocl  
721 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
722 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
723 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
724 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
725 CH2CFCH3 2-fluoropropene 2fpro  
726 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
727 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
728 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
729 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
730 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
731 CH3CH2CH2Br n-propyl bromide prbr  
732 CH3CHBrCH3 i-propyl bromide iprbr  
733 C3H9O+ trimethyl oxonium cation c3h9o+  
734 C5H5 cyclopentadienyl radical c5h5  
735 C5H5- cylopentadienyl anion c5h5-  
736 C5H6 1,3-Cyclopentadiene c542927  
737 C5H6 1-Buten-3-yne, 2-methyl- c78808  
738 C5H6 3-Penten-1-yne, (E)- c2004695  
739 C5H6 3-Penten-1-yne, (Z)- c1574409  
740 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
741 C5H6 Cyclopropylacetylene c6746947  
742 C5H7 1,3-pentadienyl radical pdyl  
743 C5H7 cyclopentenyl radical cpyl  
744 C5H8 1,2-Butadiene, 3-methyl- c598254  
745 C5H8 1,2-Pentadiene c591957  
746 C5H8 1,3-Butadiene, 2-methyl- c78795  
747 C5H8 1,3-Pentadiene, (E)- c2004708  
748 C5H8 1,3-Pentadiene, (Z)- c1574410  
749 C5H8 1,4-Pentadiene c591935  
750 C5H8 1-pentyne a1pentyne  
751 C5H8 2,3-Pentadiene c591968  
752 C5H8 Cyclobutane, methylene- c1120565  
753 C5H8 Cyclopentene c142290  
754 CH3CCCH2CH3 2-Pentyne 2pentyne  
755 C5H10 1-Butene, 2-methyl- c563462  
756 C5H10 2-Butene, 2-methyl- c513359  
757 C5H10 2-Pentene, (E)- c646048  
758 C5H10 2-Pentene, (Z)- c627203  
759 C5H10 Cyclopentane c287923  
760 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
761 CH2CHCH2CH2CH3 1-pentene pentene  
762 C5H11 2-Methylbut-2-yl radical c4348350  
763 C5H12 Butane, 2-methyl- buta2  
764 C5H12 Pentane pentane  
765 C5H12 Propane, 2,2-dimethyl- neopentane  
766 Si(CH3)4 tetramethylsilane tms  
767 N2O3 Dinitrogen trioxide n2o3  
768 C3H2N2 Malononitrile c3h2n2  
769 C2H3N3 1H-1,2,4-Triazole c288880  
770 C3H4N2 1H-Pyrazole 1hpyraz  
771 C4H5N (E)-2-Butenenitrile c627269  
772 C4H5N (Z)-2-Butenenitrile c1190767  
773 C4H5N 2H-pyrrole pyrrole2  
774 C4H5N 3H-pyrrole pyrrole3  
775 C4H5N Cyclopropanecarbonitrile c5500210  
776 CH2CHCH2CN Allylcyanide ch2chch2cn  
777 C3H6N2 3-Aminopropionitrile c151188  
778 C5H8 Bicyclo[2.1.0]pentane c185944  
779 C5H8 Spiropentane c157404  
780 C4H9N Cyclobutylamine cbam  
781 C4H9N Pyrrolidine pyrrolidine  
782 C3H10N2 1,2-Diaminopropane diampr12  
783 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
784 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
785 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
786 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
787 C3O2+ Carbon suboxide cation c3o2+  
788 B2O3 diboron trioxide b2o3  
789 CaCO3 Calcium Carbonate caco3  
790 PO4--- phosphate po4---  
791 SO4-- sulfate so4--  
792 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
793 CHOCOOH oxo acetic acid oaa  
794 H2SO4 Sulfuric acid h2so4  
795 CH3C(O)OO acetyl peroxy radical ch3coo2  
796 CH3NO3 Methyl nitrate ch3no3  
797 H3PO4 Phosphoric Acid h3po4  
798 C4H4O Furan furan  
799 C4H4O+ Furan cation furan+  
800 C4H4S Thiophene furans  
801 C3H4O2 β–Propiolactone beta  
802 C3H4O2 2-Propenoic acid propenoic2  
803 C3H4O2 propanedial propanedial  
804 C3H4O2 propenalol propenalol  
805 C2H4O3 trioxolane124 triox  
806 HOCH2COOH Hydroxyacetic acid hac  
807 CH2CHCONH2 Acrylamide c79061  
808 CH5N3S Hydrazinecarbothioamide c79196  
809 H2NCH2COOH Glycine glycine  
810 CH3SO2NH2 methanesulfonamide ch3so2nh2  
811 C4H6O cis-2-butenal butenal2c  
812 C4H6O Cyclobutanone cbutone  
813 C4H6O Furan, 2,3-dihydro- furan23h  
814 C4H6O Furan, 2,5-dihydro- furan25h  
815 CHOCHCHCH3 2-Butenal butenal2  
816 C4H6S Thiophene, 2,3-dihydro- thiop23h  
817 C4H6S Thiophene, 2,5-dihydro- thiop25h  
818 C2H6N2O Urea, methyl- c598505  
819 C3H6O2 1,3-Dioxolane dioxolane  
820 CH3COOCH3 methyl acetate aame  
821 CH3SSSCH3 dimethyl trisulfide c2h6s3  
822 C3H7NO dimethylformamide dmf  
823 C3H7NO Propanamide propanam  
824 C2H3OC2H5 Ethene, ethoxy- c109922  
825 C4H8O Cyclobutanol c2919235  
826 C4H8O Furan, tetrahydro- thf  
827 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
828 CH3COCH2CH3 2-Butanone buta2one  
829 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
830 CHOCH2CH2CH3 Butanal butanal  
831 C3H8O2 1,3-Propanediol c504632  
832 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
833 C3H8O2 Methane, dimethoxy- c109875  
834 C3H8O2 Propylene glycol c57556  
835 C3H8S2 1,3-Propanedithiol c109808  
836 C4H10O 1-Propanol, 2-methyl- c78831  
837 C4H10O 2-Butanol, (.+/-.)- butanol2  
838 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
839 C4H10O Ethoxy ethane etoet  
840 C4H10O Propane, 2-methoxy- c598538  
841 C4H10O+ 1-Butanol cation butanol1+  
842 C2H5SC2H5 Diethyl sulfide etset  
843 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
844 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
845 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
846 FNO3 Fluorine nitrate fno3  
847 ClONO2 Chlorine nitrate clono2  
848 TiCl4 Titanium tetrachloride ticl4  
849 ClO4- perchlorate anion clo4-  
850 BF4- tetrafluoroboron anion bf4-  
851 ClFO3 Perchloryl fluoride clfo3  
852 SO2F2 Sulfuryl fluoride so2f2  
853 SO2Cl2 Sulfuryl chloride so2cl2  
854 F3NO Nitrogen trifluoride oxide f3no  
855 F3PO Phosphoryl fluoride pf3o  
856 Cl3PO Phosphoryl chloride pcl3o  
857 CF4 Carbon tetrafluoride cf4  
858 CF3Cl Methane, chlorotrifluoro- cf3cl  
859 SiF4 Silicon tetrafluoride sif4  
860 CF2Cl2 difluorodichloromethane cf2cl2  
861 CFCl3 Trichloromonofluoromethane cfcl3  
862 GeF4 Germanium tetrafluoride gef4  
863 CCl4 Carbon tetrachloride ccl4  
864 CCl4+ Carbon tetrachloride cation ccl4+  
865 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
866 SiCl4 Silane, tetrachloro- sicl4  
867 CF3I trifluoroiodomethane cf3i  
868 CBrCl3 Methane, bromotrichloro- cbrcl3  
869 CBr2F2 Methane, dibromodifluoro- cbr2f2  
870 GeCl4 Germanium Tetrachloride gecl4  
871 CCl3I trichloroiodomethane ccl3i  
872 CFClBrI fluorochlorobromoiodomethane cfclbri  
873 CF2I2 difluorodiiodomethane cf2i2  
874 CCl2I2 dichlorodiiodomethane ccl2i2  
875 SiBr4 Silicon tetrabromide sibr4  
876 CBr3I tribromoiododmethane cbr3i  
877 GeBr4 Germanium tetrabromide gebr4  
878 CI4 tetraiodomethane ci4  
879 SiI4 silicon tetraiodide sii4  
880 SCl4 Sulfur tetrachloride scl4  
881 C2HF3 Trifluoroethylene c2hf3  
882 C2HF3+ Trifluoroethylene cation c2hf3+  
883 CHClCCl2 Trichloroethylene chclccl2  
884 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
885 HClO4 perchloric acid hclo4  
886 HSO3F Fluorosulfonic acid hso3f  
887 CHClCCHCl 1,3-dichloroallene chclcchcl  
888 CHCl2CHO dichloroacetaldehyde chcl2cho  
889 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
890 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
891 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
892 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
893 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
894 NH3BCl3 Amminetrichloroboron nh3bcl3  
895 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
896 C3H5ClO Oxirane, (chloromethyl)- c106898  
897 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
898 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
899 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
900 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
901 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
902 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
903 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
904 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
905 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
906 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
907 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
908 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
909 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
910 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
911 C4H9F 1-fluorobutane butaf1  
912 CH3CHFCH2CH3 2-fluorobutane butaf2  
913 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
914 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
915 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
916 XeF4 Xenon tetrafluoride xef4  
917 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
918 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
919 C6H4 Benzyne benzyne  
920 C6H5 phenyl phenyl  
921 C6H6 2,4-Hexadiyne hexadiyne  
922 C6H6 3,4-Dimethylenecyclobutene cb34m  
923 C6H6 Benzene benzene  
924 C6H6+ Benzene cation c6h6+  
925 C6H8 (E)-hexa-1,3,5-triene c821078  
926 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
927 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
928 C6H8 1,3-Cyclohexadiene cyhexadiene13  
929 C6H8 1,4-Cyclohexadiene cyhexadiene14  
930 C6H8 3-Methylenecyclopentene c930267  
931 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
932 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
933 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
934 C6H10 1,3-Hexadiene, (E)- hexdi13e  
935 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
936 C6H10 1,4-Hexadiene, (E)- hexdi14t  
937 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
938 C6H10 1-Butyne, 3,3-dimethyl- c917920  
939 C6H10 1-Hexyne hexyne1  
940 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
941 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
942 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
943 C6H10 2-Hexyne c764352  
944 C6H10 cyclohexene cyclohexene  
945 C6H10 Cyclopentene, 1-methyl- c693890  
946 C6H10 Cyclopentene, 3-methyl- c1120623  
947 C6H10 Cyclopentene, 4-methyl- c1759815  
948 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
949 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
950 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
951 C6H12 (E)-2-Hexene e2hexene  
952 C6H12 (E)-3-methylpent-2-ene c616126  
953 C6H12 (Z)-3-methylpent-2-ene c922623  
954 C6H12 (Z)-hex-2-ene z2hexene  
955 C6H12 2,3-dimethyl-but-2-ene tmeet  
956 C6H12 3-methylenepentane c760214  
957 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
958 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
959 C6H12 Cyclohexane cyclohexane  
960 C6H12 Cyclopentane, methyl- c96377  
961 C6H12 Ethylcyclobutane c4806615  
962 C6H14 Butane, 2,2-dimethyl- buta22  
963 C6H14 Butane, 2,3-dimethyl- buta23  
964 C6H14 Hexane hexane  
965 C6H14 Pentane, 2-methyl- penta2  
966 C6H14 Pentane, 3-methyl- penta3  
967 C4N2 2-Butynedinitrile c4n2  
968 C2H2N4 sym-tetrazine ttz  
969 C3H3N3 1,3,5-Triazine triazine135  
970 CH3N5 5-Aminotetrazole c4418615  
971 C4H4N2 1,3-Diazine diazine13  
972 C4H4N2 Pyrazine pyrazine  
973 C4H4N2 Pyridazine pyridazine  
974 C4H4N2 Succinonitrile c110612  
975 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
976 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
977 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
978 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
979 C5H5N E-2,4-pentadienenitrile bdcn  
980 C5H5N Pyridine pyridine  
981 B3N3H6 borazine borazine  
982 C6H6 Fulvene fulvene  
983 C4H6N2 1H-Imidazole, 2-methyl- c693981  
984 C5H7N (E)-2-Pentenenitrile c26294984  
985 C5H7N (E)-3-Pentenenitrile c16529661  
986 C5H7N (Z)-2-Pentenenitrile c25899507  
987 C5H7N 1H-Pyrrole, 1-methyl- c96548  
988 C5H7N Cyclobutanecarbonitrile c4426113  
989 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
990 C5H9N Butanenitrile, 2-methyl- c18936179  
991 C5H9N Pentanenitrile c110598  
992 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
993 C6H10 Bicyclo[3.1.0]hexane c285585  
994 C5H11N Cyclopentanamine cypentam  
995 C5H11N Piperidine piper  
996 C4H12N2 1,2-Butanediamine c4426486  
997 C4H12N2 2-Methyl-1,2-propanediamine c811938  
998 Li2CO3 Lithium Carbonate li2co3  
999 C2O4-- oxalate anion c2o4  
1000 N2O4 Dinitrogen tetroxide n2o4  
1001 C2H3NO3 Oxamic acid oxamic  
1002 C4H4O2 2(5H)-Furanone furanone  
1003 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1004 C2H4N2O2 Oxalamide oxalamide  
1005 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1006 C3H4S3 1,3-Dithiolane-2-thione c822388  
1007 C2H4O4 Formic acid dimer fadimer  
1008 C4H5NO 3-Methylisoxazole isox3m  
1009 C4H5NO Isoxazole, 5-methyl- c5765446  
1010 C4H5NS 4-Methylthiazole c693958  
1011 C5H6O 2-methylfuran furan2m  
1012 C5H6O 3-Methylfuran furan3m  
1013 C5H6S Thiophene, 2-methyl- c554143  
1014 C5H6S Thiophene, 3-methyl- c616444  
1015 C4H6O2 γ–Butyrolactone c96480  
1016 C4H6O2 2,3-Butanedione c431038  
1017 C4H6O2 2-Propenoic acid, methyl ester c96333  
1018 C4H6O2 Crotonic Acid crot  
1019 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1020 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1021 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1022 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1023 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1024 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1025 C4H6OS Vinyl sulfoxide c1115157  
1026 CH6N4S Carbonothioic dihydrazide thiacarb  
1027 C2H6N2O2 (E)-Azodioxymethane c37765154  
1028 C2H6N2O2 Dimethylnitroamine c4164287  
1029 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1030 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1031 C4H7NO 2-Pyrrolidinone c616455  
1032 C4H7NO Methacrylamide c79390  
1033 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1034 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1035 C3H7ONO Propyl nitrite prono  
1036 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1037 CH3CH(NH2)COOH Alanine alanine  
1038 CH3NHCH2COOH Sarcosine sarcosine  
1039 NH2CH2CH2COOH β–alanine betaalanine  
1040 NH2COOC2H5 Urethane urethane  
1041 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1042 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1043 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1044 NH2CONHC2H5 Urea, ethyl- c625525  
1045 C4H8O2 1,3-Dioxane dioxan13  
1046 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1047 C4H8O2 1,4-Dioxane dioxan14  
1048 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1049 C4H8OS s-Ethyl thioacetate c625605  
1050 C3H8O3 1,2,3-Propanetriol glycerin  
1051 C3H8O2S (Methylsulfonyl)ethane c594434  
1052 C4H9NO Butanamide c541355  
1053 C4H9NO Propanamide, 2-methyl- c563837  
1054 C5H10O 2-Butanone, 3-methyl- c563804  
1055 C5H10O 2H-Pyran, tetrahydro- c142687  
1056 C5H10O 2-Pentanone mpk  
1057 C5H10O Cyclopentanol c96413  
1058 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1059 C5H10O Pentanal pal  
1060 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1061 C5H10S 3-Ethylthio-1-propene c5296628  
1062 C5H10S Cyclopentanethiol c1679078  
1063 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1064 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1065 C4H10O2 1,1-Dimethoxyethane c534156  
1066 C4H10O2 1,3-Butanediol budiol13  
1067 C4H10O2 1,4-Butanediol budiol14  
1068 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1069 C4H10OS Diethyl sulfoxide c70291  
1070 C4H10S2 1,4-Butanedithiol budisl14  
1071 C4H11NO Diethylhydroxylamine c3710847  
1072 C5H12O 1-Butanol, 2-methyl- c137326  
1073 C5H12O 1-Butanol, 3-methyl- c123513  
1074 C5H12O 1-Pentanol pentanol1  
1075 C5H12O 2-Butanol, 3-methyl- c598754  
1076 C5H12O 2-Pentanol peol2  
1077 C5H12O 3-Pentanol pentan3ol  
1078 C5H12O Butane, 1-methoxy- meobu  
1079 C5H12O Propane, 1-ethoxy- proet  
1080 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1081 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1082 C5H12S 1-Butanethiol, 3-methyl- c541311  
1083 C5H12S 1-Pentanethiol c110667  
1084 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1085 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1086 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1087 C5H12S Butane, 1-(methylthio)- c628295  
1088 C5H12S Ethyl propyl sulfide c4110503  
1089 C5H12S Propane, 2-(ethylthio)- c5145993  
1090 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1091 CF3CN Acetonitrile, trifluoro- cf3cn  
1092 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1093 B2F4 Diboron tetrafluoride b2f4  
1094 C2F4 Tetrafluoroethylene c2f4  
1095 C2F4+ Tetrafluoroethylene cation c2f4+  
1096 C2FCl3 fluorotrichloroethene c2fcl3  
1097 C2Cl4 Tetrachloroethylene c2cl4  
1098 PF5 Phosphorus pentafluoride pf5  
1099 AsF5 Arsenic pentafluoride asf5  
1100 PCl5 Phosphorus pentachloride pcl5  
1101 SbCl5 Antimony pentachloride sbcl5  
1102 BrF5 bromine pentafluoride brf5  
1103 ClF5 chlorinepentafluoride clf5  
1104 IF5 pentafluoroiodine if5  
1105 CF3CHO trifluoroacetaldehyde cf3cho  
1106 CCl3CHO trichloroacetaldehyde ccl3cho  
1107 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1108 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1109 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1110 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1111 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1112 C4H8Cl2 1,4-Dichlorobutane c110565  
1113 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1114 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1115 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1116 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1117 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1118 C5H11Cl Pentane, 1-chloro- pencl1  
1119 C6H5CH2 benzyl radical benzyl  
1120 C6H5CH3 toluene toluene  
1121 C7H8 cycloheptatriene cht  
1122 C7H8 Norbornadiene norbor  
1123 C7H8 Quadricyclane qucy  
1124 C7H12 Norbornane nor  
1125 C7H16 2-methylhexane 2mhex  
1126 C7H16 3-methylhexane hex3m  
1127 C7H16 heptane heptane  
1128 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1129 C6H7N 2-Methylpyridine mp  
1130 C6H5NH2 aniline aniline  
1131 C6H13N 2-Methylpiperidine pip2m  
1132 C6H13N cyclohexanamine cham  
1133 N2O5 Dinitrogen pentoxide n2o5  
1134 C4H2O3 Maleic Anhydride malan  
1135 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1136 C5H4O2 furfural furfural  
1137 C6H5O phenoxy radical phenoxy  
1138 C5H5NO 2(1H)-Pyridinone c72762006  
1139 C5H5NO 2(3H)-Pyridinone c9000048  
1140 C5H5NO 2(5H)-Pyridinone c9000037  
1141 C5H5NO 2-Pyridinol c109104  
1142 C5H5NO 3(2H)-Pyridinone c9000004  
1143 C5H5NO 3(4H)-Pyridinone c9000026  
1144 C5H5NO 3(6H)-Pyridinone c9000015  
1145 C5H5NO 3-Pyridinol c109002  
1146 C5H5NO 4(1H)-Pryidinone c9000060  
1147 C5H5NO 4(3H)-Pryidinone c9000059  
1148 C5H5NO 4-Pyridinol c626642  
1149 C6H5OH phenol phenol  
1150 C6H6O 2,4-Cyclohexadienone c24599573  
1151 C6H5SH Benzenethiol phsh  
1152 C5H8O2 Acetylacetone acac  
1153 C4H8O2S Sulfolane sulfolane  
1154 CH(C2H3)3 trivinyl methane tvm  
1155 C6H10O cyclohexanone chexo  
1156 C6H12O hexanal c6h12o  
1157 CF3COCl trifluoroacetyl chloride cf3cocl  
1158 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1159 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1160 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1161 CCl3CHCl2 pentachloroethane ccl3chcl2  
1162 C6H5F Fluorobenzene bzf  
1163 C6H5Cl chlorobenzene bzcl  
1164 C6H5Br bromobenzene bzbr  
1165 C6H5CCH phenylacetylene phac  
1166 C8H6 benzocyclobutadiene bcbd  
1167 C8H6 Pentalene pentalene  
1168 C6H5CHCH2 Styrene styrene  
1169 C8H8 cubane cubane  
1170 C8H8 cyclooctatetraene cot  
1171 C6H5CH2CH3 Ethylbenzene etbz  
1172 CH3C6H4CH3 meta-xylene mxylene  
1173 CH3C6H4CH3 paraxylene pxylene  
1174 C8H16 cyclooctane cyclooct  
1175 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1176 C8H18 Octane c8h18  
1177 C6H5CN phenyl cyanide phcn  
1178 C6H12N2 Triethylenediamine ted  
1179 C4O4-- squarate dianion c4o4--  
1180 S8 Octasulfur s8  
1181 C6H4O2 parabenzoquinone pbq  
1182 C4H4N2O2 Uracil uracil  
1183 C6H5CHO benzaldehyde benzal  
1184 C6H5OCH3 Anisole anisole  
1185 C5H9NO2 Proline proline  
1186 C6H12O2 Methyl pivalate c598981  
1187 C6H12O2 Hexanoic acid hexa  
1188 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1189 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1190 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1191 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1192 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1193 C2F6 hexafluoroethane c2f6  
1194 IF7 Iodine heptafluoride if7  
1195 C6H4F2 metadifluorobenzene mdfb  
1196 C6H4F2 orthodifluorobenzene odfb  
1197 C6H4F2 1,4-difluorobenzene pdfb  
1198 C6H4Cl2 1,2-dichlorobenzene dcb12  
1199 C6H4Cl2 1,3-dichlorobenzene dcb13  
1200 C9H8 Indene indene  
1201 C9H12 n-propyl benzene prbz  
1202 C5H4N4 purine purine  
1203 C8H7N Indole indole  
1204 C6H5NO2 Nitrobenzene c6h5no2  
1205 C6H5COOH benzoic acid benzo  
1206 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1207 C8H18O 1-Octanol octanol  
1208 C10H16 adamantane adamantane  
1209 C6N4 Tetracyanoethylene tcne  
1210 C10H22 Decane decane  
1211 C4F6 perfluorobutadiene c4f6  
1212 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1213 C3F8 perfluoropropane c3f8  
1214 Fe(CO)5 Iron pentacarbonyl ipc  
1215 Fe(C5H5)2 ferrocene fecp2  
1216 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1217 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1218 C12H8 Acenaphthylene acenaph  
1219 C12H10 biphenyl biphenyl  
1220 C12H10 Heptalene heptalene  
1221 C6H12O6 Inositol inositol  
1222 C6F6 hexafluorobenzene c6f6  
1223 S2F10 disulphur decafluoride s2f10  
1224 C13H10 Fluorene fluorene  
1225 C14H10 Anthracene anth  
1226 C14H10 Phenanthrene phenanthrene  
1227 C12H10N2 azobenzene azobenzene  
1228 C16H10 Pyrene pyrene  
1229 C18H12 Tetracene tetracene  
1230 C19H16 Triphenylmethane tpm  
1231 C24H12 Coronene coronene  
1232 C60 Buckminsterfullerene c60