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List of which calculations are completed at MP4 /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 Na Sodium atom 2SKh
14 LiH Lithium Hydride 1ΣC∞v
15 LiH+ lithium hydride cation 2ΣC∞v
16 NaH sodium hydride 1ΣC∞v
17 NaH+ sodium hydride cation 2ΣC∞v
18 Be Beryllium atom 1SKh
19 Be+ Beryllium atom cation 2SKh
20 Mg Magnesium atom 1SKh
21 Mg+ Magnesium atom cation 2SKh
22 Ca Calcium atom 1SKh
23 BeH beryllium monohydride 2ΣC∞v
24 MgH magnesium monohydride 2ΣC∞v
25 CaH Calcium monohydride 2ΣC∞v
26 CaH+ Calcium monohydride cation 2ΣC∞v
27 TiH Titanium monohydride 4ΦC∞v
28 ZnH+ Zinc, protonated   
29 BeH2 beryllium dihydride 1ΣgD∞h
30 BeH2+ Beryllium dihydride cation 2ΣC∞v
31 BeH2+ Beryllium dihydride cation 2ΣuD∞h
32 BeH2+ Beryllium dihydride cation   
33 MgH2 magnesium dihydride 1ΣgD∞h
34 B Boron atom 2PKh
35 B Boron atom 4PKh
36 B+ Boron atom cation 1SKh
37 Al Aluminum atom 2PKh
38 Al- Aluminum atom anion 3PKh
39 Al+ Aluminum atom cation 1SKh
40 Sc Scandium atom 2DKh
41 Sc+ Scandium cation 3DKh
42 Ga Gallium atom 2P 
43 Ga- Gallium atom anion 3POh
44 Ga+ Gallium atom cation 1S 
45 BH Boron monohydride 1ΣC∞v
46 BH Boron monohydride 3ΠC∞v
47 BH- boron monohydride anion 4ΣC∞v
48 ScH Scandium monohydride 1ΣC∞v
49 ScH+ Scandium monohydride cation 2ΣC∞v
50 GaH Gallium monohydride 1ΣC∞v
51 GaH+ Gallium monohydride cation 2ΣC∞v
52 BH2- boron dihydride anion 3B1C2v
53 BH2- boron dihydride anion 1A1C2v
54 BH2+ Boron dihydride cation 1ΣgD∞h
55 BH3 boron trihydride 1A1'D3h
56 BH3+ boron trihydride cation 2B2C2v
57 BH3+ boron trihydride cation  C2v
58 AlH3 aluminum trihydride 1A1'D3h
59 AlH3- aluminum trihydride anion  C3v
60 ScH3 Scandium trihydride 1A1'D3h
61 ScH3 Scandium trihydride 1A1C3v
62 GaH3 Gallium trihydride 1A1'D3h
63 BH4 borohydride 2B2C2v
64 BH4- borohydride anion 1A1Td
65 C Carbon atom 3P0Kh
66 C Carbon atom 3P1Kh
67 C- Carbon atom anion 2DKh
68 C+ Carbon atom cation 2PKh
69 Si Silicon atom 3PKh
70 Si Silicon atom 1SKh
71 Si- Silicon atom anion 4SKh
72 Si+ Silicon atom cation 2PKh
73 Ge- Germanium anion 4SKh
74 Ge+ Germanium cation 2PKh
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 cation 1A1'D3h
95 CD4 methane-d4 1A1Td
96 CH2D2 methane-d2 1A1C2v
97 CH3D methane-d 1A1C3v
98 CH4 Methane 1A1Td
99 CH4- Methane anion 2A1Td
100 CH4- Methane anion 2A1C3v
101 CHD3 methane-d3 1A1C3v
102 SiH2D2 silane-d2   
103 SiH4 Silane 1A1Td
104 GeH4 Germane 1A1Td
105 SiH5+ Silane, protonated   
106 N Nitrogen atom 4SKh
107 N Nitrogen atom 2DKh
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 1ΣC∞v
117 AsH+ Arsenic monohydride cation 2ΠC∞v
118 NH2 Amino radical 2B1C2v
119 NH2+ Amino cation 3B1C2v
120 NH2+ Amino cation 1A1C2v
121 AsH2+ Arsenic dihydride cation 1A1C2v
122 NH3 Ammonia 1A1C3v
123 NH3- Ammonia anion 2A1C3v
124 NH3+ ammonia cation 2A2"D3h
125 PH3 Phosphine 1A1C3v
126 PH3+ Phosphine cation 2A1C3v
127 AsH3 Arsine 1A1C3v
128 NH4 Ammonium radical   
129 NH4+ ammonium cation 1A1Td
130 PH4 Phosphoranyl radical   
131 PH4+ phosphonium cation   
132 O Oxygen atom 3SKh
133 O+ Oxygen atom cation 4SKh
134 S Sulfur atom 3PKh
135 S Sulfur atom   
136 S- Sulfur atom anion 2PKh
137 S+ Sulfur atom cation 4SKh
138 Se Selenium atom 3PKh
139 Se- Selenium atom anion 2PKh
140 Se+ Selenium atom cation 4SKh
141 OH Hydroxyl radical 2ΠC∞v
142 OH- hydroxide anion 1ΣC∞v
143 OH+ hydoxyl cation 3ΣC∞v
144 HS Mercapto radical 2ΠC∞v
145 HS- mercapto anion 1ΣC∞v
146 HS+ sulfur monohydride cation 3ΣC∞v
147 CrH Chromium hydride 6ΣC∞v
148 CrH+ Chromium hydride cation 5ΣC∞v
149 HSe Selenium monohydride 2ΠC∞v
150 HSe- selenium monohydride anion 1ΣC∞v
151 HSe+ selenium monohydride cation 3ΣC∞v
152 H2O Water 1A1C2v
153 H2O- water anion 2A1C2v
154 H2O- water anion 2A'Cs
155 H2O+ water cation 2B1C2v
156 HDO Water-d1 1A1C2v
157 H2S Hydrogen sulfide 1A1C2v
158 H2S- Hydrogen sulfide anion 2A'Cs
159 H2S+ Hydrogen sulfide cation 2B1C2v
160 H2Se Hydrogen selenide 1A1C2v
161 H2Se+ Hydrogen selenide cation 2B1C2v
162 H3O+ hydronium cation 1A1C3v
163 H3S+ Sulfonium cation 1A1C3v
164 H3Se+ Hydrogen Selenide, protonated 1A1C3v
165 F Fluorine atom 2PKh
166 F- Fluorine atom anion 1SKh
167 F+ Fluorine atom cation 3SKh
168 F+ Fluorine atom cation 1DKh
169 Cl Chlorine atom 2PKh
170 Cl- Chlorine atom anion 1SKh
171 Cl+ Chlorine atom cation 3PKh
172 Cl+ Chlorine atom cation 1DKh
173 Br Bromine atom 2PKh
174 Br- Bromine atom anion 1SKh
175 Br+ Bromine atom cation 3PKh
176 HF Hydrogen fluoride 1ΣC∞v
177 HCl Hydrogen chloride 1ΣC∞v
178 HCl+ hydrogen chloride cation 2ΠC∞v
179 HBr hydrogen bromide 1ΣC∞v
180 HBr- hydrogen bromide anion 2ΣC∞v
181 HBr+ hydrogen bromide cation 2ΠC∞v
182 H2Cl+ dihydrogen monochloride cation 1A1C2v
183 H2Br+ protonated hydrogen bromide 2A1C2v
184 Ne Neon atom 1SKh
185 Ne Neon atom   
186 Ne+ Neon atom cation 2PKh
187 Ar Argon atom 1SKh
188 Kr Krypton atom 1SKh
189 Kr+ Krypton cation 2PKh
190 HeLi+ Helium Lithium cation   
191 NeH neon hydrogen 2ΣC∞v
192 ArH+ Argon hydride cation 1ΣC∞v
193 KrH+ Protonated Krypton 1ΣC∞v
194 H2Ar H2 Ar dimer 1ΣC∞v
195 Li2 Lithium diatomic 1ΣgD∞v
196 NaLi lithium sodium 1ΣC∞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 CS carbon monosulfide 1ΣC∞v
344 TiO Titanium monoxide 3ΔC∞v
345 GeO Germanium monoxide 1ΣC∞v
346 GeO+ Germanium monoxide cation 2ΣC∞v
347 GeS Germanium monosulfide 1ΣC∞v
348 SiSe Silicon Monoselenide   
349 SiSe+ Silicon Monoselenide cation   
350 NO Nitric oxide 2ΠC∞v
351 NO- nitric oxide anion 3ΣC∞v
352 NO+ nitric oxide cation 1ΣC∞v
353 NS Mononitrogen monosulfide 2ΠC∞v
354 NS- nitrogen sulfide anion 3ΣC∞v
355 PO Phosphorus monoxide 2ΠC∞v
356 PS phosphorus sulfide 2ΣC∞v
357 VO Vanadium monoxide 4Σ- 
358 NSe Nitrogen monoselenide 2ΠC∞v
359 AsS Arsenic monosulfide 2ΠC∞v
360 PSe Phosphorus monoselenide 2ΠC∞v
361 AsSe Arsenic monoselenide 2ΠC∞v
362 O2 Oxygen diatomic 3ΣgD∞h
363 O2 Oxygen diatomic 1ΔgD∞h
364 O2- oxygen diatomic anion 2ΠD∞h
365 O2+ diatomic oxygen cation 2ΠgD∞h
366 SO Sulfur monoxide 3ΣC∞v
367 SO+ sulfur monoxide cation 2ΠC∞v
368 S2 Sulfur diatomic 3ΣgD∞h
369 SeO Selenium monoxide 3ΣC∞v
370 LiOH lithium hydroxide 1ΣC∞v
371 BeOH beryllium monohydroxide 2A'Cs
372 BeOH beryllium monohydroxide 2ΣC∞v
373 HBO Boron hydride oxide 1ΣC∞v
374 COH Hydroxymethylidyne   
375 COH+ Carbon Monoxide, protonated 1ΣC∞v
376 HCO- formyl anion 1A'Cs
377 HNO+ Nitrosyl hydride cation 2A'Cs
378 NOH Hydroxyimidogen 3A"Cs
379 NOH+ O-protonated nitric oxide 2A'Cs
380 HO2 Hydroperoxy radical 2A"Cs
381 HO2+ Hydroperoxy cation 3A"Cs
382 HSO+ Sulfur Monoxide, S-protonated   
383 SOH Sulfur Hydroxide   
384 SOH+ Sulfur Monoxide, protonated   
385 HS2 Thiosulfeno radical 2A"Cs
386 H2CO Formaldehyde 1A1C2v
387 H2CO- formaldehyde anion 2A'Cs
388 H2CO- formaldehyde anion   
389 H2CO+ formaldehyde cation 2B2C2v
390 HOCH hydroxycarbene 1A'CS trans
391 HOCH hydroxycarbene 1A'CS cis
392 H2CS Thioformaldehyde 1A1C2v
393 H2CS- thioformaldehyde anion   
394 H2CS- thioformaldehyde anion   
395 H2CS+ thioformaldehyde cation 2B2C2v
396 H2NO nitroxide 2B1C2v
397 H2NO nitroxide 2A'Cs
398 H2O2 Hydrogen peroxide 1AC2
399 H2O2 Hydrogen peroxide 1AgC2h
400 H2O2+ Hydrogen peroxide cation 2BgC2h
401 H2O2+ Hydrogen peroxide cation 2A1C2v
402 H2OO water oxide   
403 HOSH hydrogen thioperoxide   
404 H2S2 Disulfane 1AC2
405 H2S2+ hydrogen disulfide cation 2BgC2h
406 CH2OH Hydroxymethyl radical 2AC1
407 CH2OH+ hydroxymethyl cation 1A'Cs
408 CH3O- methoxy anion 1A1C3v
409 CH3O+ Methoxy cation 3A1C3v
410 H2CSH+ Thioformaldehyde, protonated 1A'Cs
411 NH2OH hydroxylamine 1A'Cs
412 NH2OH+ Hydroxylamine cation   
413 NH3O Ammonia Oxide 1A1C3v
414 H2POH Phosphinous acid 1A1'CS trans
415 H2POH Phosphinous acid 1A1'CS cis
416 H3PO Phosphine oxide 1A1C3v
417 NH2SH Thiohydroxylamine   
418 NH2SH Thiohydroxylamine   
419 NH3S sulfidoazane   
420 CH3OH Methyl alcohol 1A'Cs
421 CH3OH- Methyl alcohol anion 2A'Cs
422 CH3OH- Methyl alcohol anion 2A'CS eclipsed
423 CH3OH+ Methyl alcohol cation 2A"Cs
424 CH3OH+ Methyl alcohol cation 2AC1
425 CH3SH Methanethiol 1A'Cs
426 CH3SH+ Methanethiol cation 2A"Cs
427 SiH3OH silanol   
428 NH2OH2+ protonated hydroxylamine   
429 NH3OH+ N-protonated hydroxylamine   
430 H2OH2O water dimer 1A'Cs
431 CH3SH2+ protonated methylsulfide 1A'Cs
432 H5O2+ Dihydroxonium ion 1AC2
433 LiF lithium fluoride 1ΣC∞v
434 LiCl lithium chloride 1ΣC∞v
435 NaF sodium fluoride 1ΣC∞v
436 NaF+ sodium fluoride cation 2ΣC∞v
437 NaCl Sodium Chloride 1ΣC∞v
438 LiBr Lithium Bromide 1ΣC∞v
439 LiF+ lithium fluoride cation 2ΠC∞v
440 BeF- Beryllium monofluoride anion 1ΣC∞v
441 MgF+ magnesium fluoride cation 1ΣC∞v
442 TiCl Titanium Monochloride 4ΣC∞v
443 ZnF Zinc monofluoride 2ΣC∞v
444 CaBr Calcium monobromide   
445 BF Boron monofluoride 1ΣC∞v
446 AlCl Aluminum monochloride 1ΣC∞v
447 ScF Scandium monofluoride 1ΣC∞v
448 BBr Boron monobromide 1ΣC∞v
449 GaF Gallium monofluoride 1ΣC∞v
450 GaF+ Gallium monofluoride cation 2ΣC∞v
451 AlBr Aluminum monobromide   
452 GaCl Gallium monochloride 1ΣGC∞v
453 GaCl+ Gallium monochloride cation 2ΣC∞v
454 CF Fluoromethylidyne 2ΠC∞v
455 SiF silicon monofluoride 2ΠC∞v
456 SiF- silicon monofluoride anion 3ΣC∞v
457 SiF+ silicon monofluoride cation 1ΣC∞v
458 CBr Carbon monobromide 2ΠC∞v
459 GeF+ Germanium monofluoride cation 1ΣC∞v
460 GeCl+ Germanium monochloride cation   
461 SiBr Silicon monobromide 2ΠC∞v
462 SiBr+ Silicon monobromide cation   
463 NCl nitrogen monochloride 3ΣC∞v
464 AsF Arsenic monofluoride 3ΣC∞v
465 AsF Arsenic monofluoride 1ΔC∞v
466 NBr nitrogen monobromide 3Σ-C∞v
467 AsCl Arsenic monochloride 3ΣC∞v
468 PBr Phosphorus monobromide   
469 FO Oxygen monofluoride 2ΠC∞v
470 SF Monosulfur monofluoride 2ΠC∞v
471 SCl sulfur monochloride 2ΠC∞v
472 BrO Bromine monoxide 2ΠC∞v
473 BrO- Bromine monoxide anion 1ΣC∞v
474 SeF Selenium monofluoride 2ΠC∞v
475 SeCl Selenium monochloride 2ΠC∞v
476 BrCl Bromine monochloride 1ΣC∞v
477 F2 Fluorine diatomic 1ΣgD∞h
478 F2- flourine diatomic anion 2ΣuD∞h
479 F2+ flourine diatomic cation 2ΠgD∞h
480 ClF Chlorine monofluoride 1Σ+C∞v
481 ClF+ clorine monofluoride cation 2ΠC∞v
482 Cl2 Chlorine diatomic 1ΣgD∞h
483 Cl2- chlorine diatomic anion 2ΣuD∞h
484 Cl2+ chlorine diatomic cation 2ΠgD∞h
485 BrF Bromine monofluoride 1ΣC∞v
486 Br2 Bromine diatomic 1ΣgD∞h
487 Br2- bromine diatomic anion 2ΣuD∞h
488 Br2+ bromine diatomic cation 2ΠgD∞h
489 HCF Fluoromethylene 1A'Cs
490 HCF Fluoromethylene 3A"Cs
491 HCCl Chloromethylene 1A'Cs
492 HCCl Chloromethylene 3A"Cs
493 HOCl hypochlorous acid 1A'Cs
494 HOCl+ hypochlorous acid cation   
495 HOBr Hypobromous acid 1A'Cs
496 HOBr+ Hypobromous acid cation 2A"Cs
497 F2H+ Fluorine, protonated 1A'Cs
498 ClFH+ Chlorine fluoride, F-protonated   
499 FClH+ Chlorine fluoride, Cl-protonated   
500 Cl2H+ Chlorine, protonated 1A'Cs
501 CH2Br bromomethyl radical   
502 CH2F fluoromethyl radical 2ACs
503 CH2F+ fluoromethyl cation   
504 CH2Cl+ chloromethyl cation   
505 CH2Cl chloromethyl radical 2A'Cs
506 CH2Cl chloromethyl radical 2B1C2v
507 NH2Cl chloramine 1A'Cs
508 CH3F+ methyl fluoride cation   
509 CD3F methylfluoride-d3 1A1C3v
510 CH3F Methyl fluoride 1A1C3v
511 CD3Cl methyl chloride d3 1A1C3v
512 CH3Cl Methyl chloride 1A1C3v
513 SiH3Cl chlorosilane 1A1C1
514 CH3Br methyl bromide 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 2EC3v
563 CH3CN- acetonitrile anion 2A'Cs
564 CHNCH2 2H-Azirine   
565 CHNHCH 1H-Azirine   
566 H2CCNH Ethenimine   
567 H2CNCH methyleneaminomethylene   
568 HCCNH2 Ethynamine   
569 HCNCH2+ 2H-Azirine cation   
570 HNCNH2+ diiminomethane, protonated 1A'Cs
571 NCNH3+ Cyanamide, protonated 1A1C3v
572 NH2CNH+ cyanamide, cn protonated   
573 NH3CN+ cyanamide, amine protonated   
574 CH2CHNH vinylazine 2A"CS cis
575 CH2CHNH vinylazine 2A"CS trans
576 CH3CHN methylmethaniminyl radical 2A'Cs
577 CH3CHNH ethanimine 1A'CS NH down
578 C2H5NH+ Protonated Aziridine 1A1C2v
579 C2H6N+ aziridine, protonated 1A1C2v
580 NH2CH2NH2 diaminomethane 1A1C2v
581 CH3CH2NH2 Ethylamine   
582 CH3PHCH3 dimethylphosphine 1A'Cs
583 (CH3)2NH2+ dimethylammonium cation 1A1C2v
584 CH3CH2NH3+ ethylamine, protonated 1A'Cs
585 Li2O dilithium oxide 1ΣgD∞h
586 Li2S dilithium sulfide 1ΣGD∞h
587 Li2S dilithium sulfide 1A1C2v
588 Na2O disodium monoxide 1ΣgLinear
589 Na2O disodium monoxide 1A1C2v
590 Na2S Sodium sulfide   
591 Na2S Sodium sulfide   
592 NaO2 Sodium superoxide   
593 CCO Dicarbon monoxide 3ΣC∞v
594 CCO Dicarbon monoxide 1ΠC∞v
595 NCO isocyanato radical 2ΠC∞v
596 N2O Nitrous oxide 1ΣC∞v
597 N2O- Nitrous oxide anion 2A'Cs
598 NNS Nitrogen sulfide 1ΣC∞v
599 PPO Phosphorus oxide phosphide 1ΣC∞v
600 CO2 Carbon dioxide 1ΣgD∞h
601 CO2+ Carbon dioxide cation 2ΠC∞v
602 OCS Carbonyl sulfide 1ΣC∞v
603 CS2 Carbon disulfide 1ΣgD∞h
604 CS2- Carbon disulfide anion 2A1C2v
605 TiO2 Titanium dioxide 1A1C2v
606 SiS2 Silicon disulfide 1ΣGD∞h
607 OCSe Carbonyl selenide 1ΣC∞v
608 SCSe Carbon sulfide selenide   
609 GeS2 Germanium disulfide 1ΣGD∞h
610 CSe2 Carbon diselenide 1A1D∞h
611 NO2 Nitrogen dioxide 2A1C2v
612 NO2+ Nitrogen dioxide cation 1ΣGD∞h
613 NSO sulfinyl amidogen   
614 SNO Nitrogen oxide sulfide   
615 AsO2 Aresenic dioxide 2A1C2v
616 O3 Ozone 1A1Cs
617 SO2 Sulfur dioxide 1A1C2v
618 S3 Sulfur trimer 1A1C2v
619 S3 Sulfur trimer   
620 S3+ Sulfur trimer cation 2B2C2v
621 SeO2 Selenium dioxide 1A1C2v
622 SeO2+ Selenium dioxide cation 2A1C2v
623 HCCO ketenyl radical 2ΠC∞v
624 HCCO ketenyl radical 2A"Cs
625 HCNO fulminic acid 1ΣC∞v
626 HCNO fulminic acid 1A'Cs
627 HNCS Isothiocyanic acid   
628 HSCN thiocyanic acid 1A'Cs
629 HNNO+ Nitrous oxide, N-protonated 1A'Cs
630 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
631 HCOO formate neutral radical 2A'Cs
632 HOCO Hydrocarboxyl radical 1A'cis
633 HOCO Hydrocarboxyl radical 1A'trans
634 O3H+ protonated ozone 1A'Cs
635 O3H+ protonated ozone   
636 SO2H+ protonated sulfur dioxide 1A'Cs
637 C2H2O Oxirene 1A1C2v
638 CH2CO Ketene 1A1C2v
639 CH2CS Thioketene   
640 Be(OH)2 Beryllium hydroxide   
641 Be(OH)2 Beryllium hydroxide   
642 NH2NO Nitrosamide 1AC1
643 H2COO Dioxymethyl radical 2A'Cs
644 H2COO+ dioxymethyl cation 2A'Cs
645 HCOOH Formic acid 1A'Cs
646 HCOOH Formic acid   
647 H2O3 Hydrogen trioxide 1AC2
648 HSSSH trisulfane 1A'Cs
649 NaOCH3 Sodium methoxide 1A1C3v
650 CH2BOH hydroxy(methylene)borane 1A'Cs
651 BH3CO Borane carbonyl 1A1C3v
652 CH3BO Borane, methyloxo- 1A1C3v
653 CH2COH+ ketene, protonated   
654 CH2NOH formaldoxime 1A'Cs
655 CH3NO nitrosomethane 1A'Cs
656 CHONH2 formamide 1A'Planar
657 CHONH2 formamide 1ANon-Planar
658 CNOH3 1,2-oxaziridine 1AC1
659 HOCHNH hydroxymethylimine 1A'CS H all up
660 HOCHNH hydroxymethylimine 1A'CS OH down
661 HOCHNH hydroxymethylimine 1A'CS CH up
662 CHSNH2 thioformamide   
663 NHCHSH Methanimidothioic acid   
664 C2H4O Ethylene oxide 1A1C2v
665 C2H4O+ ethylene oxide cation   
666 CH3CHO Acetaldehyde 1A'Cs
667 CH3CHO+ acetaldehyde cation   
668 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
669 C2H4S Thiirane 1A1C2v
670 CH2CHSH Ethenethiol   
671 CH3CHS Thioacetaldehyde 1A'C1
672 H2CONH2+ protonated formamide 1A'Cs
673 NH2CHOH+ Formamide, O-protonated   
674 CH2(OH)2 methanediol 1AC2
675 CH3SSH Hydrogen methyl disulfide   
676 HSCH2SH Methanedithiol   
677 C2H4OH+ ethylene oxide, protonated 1A'Cs
678 CH3CHOH 1-hydroxy-ethyl radical 2AC1
679 CH3CHOH+ acetaldehyde, protonated 1A'Cs
680 NH2CH2OH aminomethanol   
681 CH3CH2SH ethanethiol 1A'Cs
682 CH3CH2SH ethanethiol 1AC1
683 CH3SCH3+ dimethyl sulfide cation   
684 CH3SeCH3 dimethylselenide 1A1C2v
685 CuF2 Copper difluoride 2ΠgD∞h
686 CNF iso cyanogen fluoride 1ΣC∞v
687 BrCN Cyanogen bromide 1ΣC∞v
688 BeF2 Beryllium fluoride 1ΣgD∞h
689 MgF2 Magnesium fluoride 1ΣgD∞h
690 BeCl2 Beryllium chloride 1ΣgD∞h
691 CaCl2 Calcium Chloride 1ΣgD∞h
692 CaBr2 Calcium dibromide   
693 FCO Carbonyl fluoride 2A'Cs
694 FCO+ Carbonyl fluoride cation 1ΣC∞v
695 ClCO carbonyl monochloride 2A'Cs
696 BF2 Boron difluoride radical 2A1C2v
697 FNS Thionitrosyl fluoride 1A'Cs
698 FSN Thiazyl fluoride 1A'Cs
699 OPCl Phosphorus oxychloride   
700 CF2 Difluoromethylene 1A1D∞h
701 CFCl chlorofluoromethylene 1A'Cs
702 SiF2+ Silicon difluoride cation 2A1C2v
703 GeF2 Germanium difluoride 1A1C2v
704 CBr2 dibromomethylene 1A1C2v
705 CBr2 dibromomethylene 3B1C2v
706 OClO- Chlorine dioxide anion 1A'Cs
707 ClSO Sulfur chloride oxide 2A"Cs
708 BrOO Bromine dioxide   
709 OBrO Bromine dioxide radical 2B1C2v
710 PF2 Phosphorus difluoride   
711 FClO chlorosyl fluoride 1A'Cs
712 ClOF Chlorine hypofluorite 1A'Cs
713 SF2 sulfur difluoride 1A1C2v
714 SF2- sulfur difluoride anion 2A'Cs
715 SF2- sulfur difluoride anion 2ΠD∞h
716 SCl2 Sulfur dichloride 1A1C2v
717 F3- trifluoride anion 1ΣgD∞h
718 F3- trifluoride anion 1ΣC∞v
719 Cl3- trichloride anion 1ΣgD∞h
720 SFCl Sulfur chloride fluoride   
721 HCCCl Chloroacetylene 1ΣC∞v
722 HCCBr bromoacetylene 1ΣC∞v
723 HFCO+ formyl fluoride cation 2A'Cs
724 CHCl2 dichloromethyl radical 2B1C2v
725 CHCl2 dichloromethyl radical 2A'Cs
726 CHF2+ difluoromethyl cation   
727 CHFCl Chlorofluoromethyl radical   
728 CHFCl+ Chlorofluoromethyl cation   
729 CHCl2+ dichloromethyl cation   
730 CHBr2 dibromomethyl radical   
731 NHF2 difluoramine   
732 NHCl2 dichloroamine   
733 SiH2F2 difluorosilane   
734 CH2Cl2 Methylene chloride 1A1C2v
735 CH2BrF Methane, bromofluoro- 1A'Cs
736 CH2BrCl Methane, bromochloro- 1A'Cs
737 CH2Br2 dibromomethane 1A1C2v
738 SiH2Cl2 dichlorosilane 1A1C2v
739 CH3MgBr Methyl Magnesium Bromide   
740 CH2FOH fluoromethanol   
741 CH2CH2Cl 2-chloroethyl radical 2A'Cs
742 CHClCH3 1-chloroethyl radical 2AC1
743 KrF2 Krypton difluoride 1ΣGD∞h
744 B4H10 Tetraborane(10) 1A1C2v
745 C4 Carbon tetramer 3ΣgD∞h
746 C4 Carbon tetramer   
747 C4H2 Diacetylene 1ΣgD∞h
748 C4H2+ diacetlyene cation 2ΠgD∞h
749 C4H4 cyclobutadiene 1AgD2h
750 C4H4 Tetrahedrane   
751 CHCCH2CH3 1-Butyne 1A'Cs
752 CH3CHCHCH2 methylallyl radical 2A"Cs
753 C4H8 methylcyclopropane 1A'Cs
754 CH2CHCH2CH3 1-Butene 1AC1
755 CH3CH2CH2CH3 Butane 1AgAnti
756 CH3CH2CH2CH3 Butane 1AGauche
757 Li3N trilithium nitride 1A'D3h
758 Li3N trilithium nitride 1A1C3v
759 C2N2 Cyanogen 1ΣgD∞h
760 As4 Arsenic tetramer 1A1Td
761 HCCCN+ Cyanoacetylene cation 2ΠC∞v
762 H2CNCN cyanamide, methylene   
763 HNCCNH Ethenediimine   
764 C3H3N+ acrylonitrile cation 2A"Cs
765 CH3N3 methyl azide 1A'Cs
766 NH2CCNH2 Diaminoacetylene 1AC2
767 NH2CH2CN Aminoacetonitrile 1A'Cs
768 CH3NHN2+ methyl azide, protonated 1AC1
769 C4H6 Bicyclo[1.1.0]butane 1A1C2v
770 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
771 H2NCHCHNH2 diaminoethylene   
772 CH7N3 triaminomethane   
773 C4H8 cyclobutane 1A1D2d
774 NH2CH2CH2CH3 1-Propanamine 1A'Cs
775 P(CH3)3 trimethylphosphine 1A1C3v
776 N(SiH3)3 trisilylamine   
777 (CH3)3NH+ protonated trimethyl amine   
778 C3H7NH3+ n-propylamine, protonated 1A'Cs
779 C3O Tricarbon monoxide 1ΣC∞v
780 ONNO NO dimer 1Agtrans C2H
781 ONNO NO dimer 1A1cis C2V
782 S2N2 Disulfur dinitride 1AGD2h
783 CS3-- Carbonotrithioate   
784 NO3- nitrate anion 1A1'D3h
785 NO3+ nitrogen trioxide cation 1A1C2v
786 SO3 Sulfur trioxide 1A1'D3h
787 SeO3 selenium trioxide 1A1'D3h
788 S4 Sulfur tetramer   
789 S4 Sulfur tetramer   
790 S4 Sulfur tetramer   
791 NH2NO2 nitramide 1A'Cs
792 C3H2O Propadienal   
793 C3H2O Propadienal   
794 H2SO3 Sulfurous acid 1A'Cs
795 CH3NCO methylisocyante   
796 HOCH2CN cyanomethanol   
797 CH3NO2 Methane, nitro- 1A'Cs
798 NH2COOH Carbamic acid 1A'Cs
799 NH2COOH Carbamic acid 1AC1
800 H3AlO3 Aluminum hydroxide   
801 NH2CONH2 Urea 1AC2
802 NH2CONH2 Urea 1A'Cs
803 NH2CONH2 Urea 1A1C2v
804 NH2COOH2+ Carbamic acid, O-protonated 1AC1
805 NH3COOH+ protonated Carbamic acid 1A'Cs
806 CH3COCH2 Acetonyl radical 2A"Cs
807 CH2C(OH)NH2 1-amino vinyl alchohol   
808 CH3C(OH)=NH Ethaninidic acid   
809 CH3CHNOH Acetaldoxime 1A'CS cis
810 HCONHCH3 N-methylformamide 1A'CS cis
811 HCONHCH3 N-methylformamide 1A'CS trans
812 CH3CSNH2 Ethanethioamide   
813 CH5N2O+ urea, N-protonated 1A'Cs
814 H2NCOHNH2+ urea, protonated 1A'Cs
815 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
816 C3H5OH Cyclopropanol 1AC1
817 C3H6O 2-Propen-1-ol 1AC1
818 C3H6O Acetone enol 1A'Cs
819 C3H6O Oxetane 1A1C2v
820 C3H6O Oxetane 1A'Cs
821 CH3CH2CHO Propanal 1A'Cs
822 CH3COCH3- acetone anion 2A'Cs
823 CH3CSCH3 Thioacetone 1A1C2v
824 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
825 CH3OC2H5 Ethane, methoxy- 1A'Cs
826 Li2F2 Lithium fluoride dimer   
827 FNO2 Nitryl fluoride 1A1C2v
828 FONO Nitrosyl hypofluorite 1A'CS cis
829 ClONO chlorine nitrite 1A'CS cis
830 CF2O+ Carbonic difluoride cation   
831 Cl2CS Thiophosgene 1A1C2v
832 BF3 Borane, trifluoro- 1A'D3h
833 BF3+ boron trifluoride cation 2B2C2v
834 BF3+ boron trifluoride cation   
835 AlF3 Aluminum trifluoride 1A1'D3h
836 ScF3 Scandium trifluoride 1A1'D3h
837 BCl3 Borane, trichloro- 1A1'D3h
838 BCl3+ Boron Trichloride cation   
839 GaF3 Gallium trifluoride 1A1'D3h
840 GaCl3 Gallium trichloride 1A1'D3h
841 BBr3 Boron tribromide 1A1'D3h
842 CF3- Trifluoromethyl anion 1A1C3v
843 CF3+ Trifluoromethyl cation 1A1'D3h
844 CF2Cl difluorochloromethyl radical   
845 SiF3 Silicon trifluoride radical 2A1C3v
846 SiF3+ Silicon trifluoride cation 1A1'D3h
847 CFCl2 dichlorofluoromethyl radical   
848 CBr3 tribromomethyl radical   
849 ClO2F Chloryl fluoride 1A'Cs
850 F2SO Thionyl Fluoride 1A'Cs
851 ClOOCl Dichlorine dioxide 1AC2
852 SSCl2 Thiothionyl chloride   
853 NCl3 nitrogen trichloride 1A1C3v
854 AsCl3 Arsenous trichloride 1A1C3v
855 NBr3 Nitrogen Tribromide 1A1C3v
856 PBr3 Phosphorus tribromide 1A1C3v
857 SF3 Sulfur trifluoride 2A'Cs
858 ClF3 Chlorine trifluoride 1A1'D3h
859 ClF3 Chlorine trifluoride 1A1C2v
860 HClO3 Chloric Acid 1A'Cs
861 HClO3 Chloric Acid 1AC1
862 SiHF3 trifluorosilane   
863 CDCl3 trichloromethane-d 1A1C3v
864 CHBrF2 Methane, bromodifluoro- 1A'Cs
865 CHFClBr fluorochlorobromomethane 1AC1
866 CHBr2F dibromofluoromethane   
867 NF3H+ protonated nitrogen trifluoride 1A1C3v
868 AsF3H+ Arsenic trifluoride, protonated   
869 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
870 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
871 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
872 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
873 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
874 C2H4F2 1,2-difluoroethane 1AgC2H anti
875 C2H4F2 1,2-difluoroethane 1AC2 gauche
876 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
877 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
878 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
879 CH2CHCH2F Allyl Fluoride   
880 CH2FCH2OH 2-fluoroethanol   
881 CH2ClCH2OH 2-Chloroethanol 1A'Cs
882 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
883 CH2FCH2CH3 1-Fluoropropane 1A'Cs
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 HCOOC2H5 Ethyl formate 1A'Cs
928 C2H6O2S Dimethyl sulfone 1A1C2v
929 C4H8S Thiophene, tetrahydro- 1AC1
930 C4H10O 1-Butanol 1A'Cs
931 C4H10O Methyl propyl ether 1AC1
932 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
933 C4H9SH 1-Butanethiol   
934 BrONO2 Bromine nitrate 1A'Cs
935 TiF4 Titanium tetrafluoride 1A1Td
936 CF3Br Bromotrifluoromethane 1A1C3v
937 CBrCl2F bromodichlorofluoromethane   
938 CBr2ClF dibromochlorofluoromethane   
939 CBr2Cl2 dibromodichloromethane 1A1C2v
940 CFBr3 fluorotribromomethane 1A1C3v
941 CBr3Cl tribromochloromethane 1A1C3v
942 CBr4 Carbon tetrabromide 1A1Td
943 ClOF3 Chlorine trifluoride oxide 1A'Cs
944 SF4 Sulfur tetrafluoride 1A1C2v
945 SeF4 Selenium tetrafluoride   
946 CF3OH trifluoromethanol 1A'Cs
947 CH2ClCCCl 1,3-dichloropropyne   
948 CHCl2CCH 3,3-dichloropropyne   
949 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
950 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
951 SiCl3CH3 methyltrichlorosilane 1A1C3v
952 CH3CBr3 1,1,1-tribromoethane 1A1C3v
953 SiH3CCl3 (trichloromethyl)silane 1A1C3v
954 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
955 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
956 C2H2N2O Furazan   
957 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
958 NH3BF3 Amminetrifluoroboron 1A1C3v
959 C6H2 hexatriyne 1ΣgD∞h
960 C6H5- phenyl anion 1A1C2v
961 C6H6 Prismane   
962 C6H6 1,2,4,5-Hexatetraene 1AgC2h
963 C6H6 Benzvalene 1A1C2v
964 C6H6 Dewar Benzene   
965 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
966 C6H6 Trimethylenecycopropane 1A'D3h
967 C6H7+ benzene, protonated 1A1C2v
968 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
969 C6H10 1,5-Hexadiene 1AgC2
970 C6H10 3-Hexyne 1A1C2v
971 C6H12 (E)-hex-3-ene 1AGCi
972 C6H12 (Z)-hex-3-ene 1AC2
973 C6H12 2,3-dimethylbut-1-ene 1A'C2
974 C6H12 hex-1-ene 1A'Cs
975 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
976 C4H2N2 Fumaronitrile 1AgC2h
977 C5H6N+ Pyridinium 1A1C2v
978 Na2CO3 Sodium Carbonate 1A1C2v
979 MgSO4 Magnesium Sulfate 1A1C2v
980 C3H2O3 vinylene carbonate   
981 C2H2O4 Oxalic Acid 1AgC2h
982 C2H4N2S2 Ethanedithioamide 1AGC2h
983 C2H4CO3 Ethylene carbonate 1A1C2v
984 C2H4CO3 Ethylene carbonate 1AC2
985 C2H5NO3 Nitric acid, ethyl ester 1A'C1
986 C5H6O 2H-Pyran   
987 C5H6O Pentadienal   
988 C3H6O3 1,3,5-Trioxane 1A1C1
989 C3H6S3 1,3,5-Trithiane 1A1C3v
990 C4H7NO Ethoxyacetonitrile 1A'Cs
991 C5H8O Cyclopentanone 1AC2
992 C5H8O Methyl cyclopropyl ketone 1A'Cs
993 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
994 C4H8O2 Ethyl acetate 1A'Cs
995 C5H10O 2-methylbutyraldehyde 1AC1
996 C5H10O 3-Pentanone 1A1C2v
997 C4F2 difluorobutadiyne   
998 ClCOClCO Oxalyl chloride 1AGC2h
999 B2Cl4 Diboron tetrachloride 1A1D2
1000 C2ClF3 Ethene, chlorotrifluoro-   
1001 CF2CCl2 difluorodichloroethylene 1A1C2v
1002 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1003 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1004 C2Br4 tetrabromoethene   
1005 CF3OF Trifluoromethylhypofluorite 1A'Cs
1006 SiF5- silicon pentafluoride anion   
1007 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1008 SF5 Sulfur pentafluoride 2A1C4v
1009 SF5+ pentafluoro sulfur cation 1A1'D3h
1010 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1011 CHF2CHF2 1,1,2,2-tetrafluoroethane 1AGC2h
1012 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1013 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1014 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1015 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1016 CF3COOH trifluoroacetic acid 1A'Cs
1017 C4H3ClO Furan, 2-chloro 1A'Cs
1018 C4H3ClO Furan,3-chloro 1A'Cs
1019 C7H7 cycloheptatrienyl radical 2A2C2v
1020 C7H7+ cycloheptatrienyl cation 1A1'D7h
1021 C7H14 cycloheptane 1AC2
1022 C6H6O 2,5-Cyclohexadienone 1A1C2v
1023 HO2CCHNH2CH2OH Serine 1AC1
1024 C7H10 Norbornene   
1025 C3H7OC3H7 di-n-propyl ether 1AC2
1026 F2CCCF2 tetrafluoroallene   
1027 CF3COO- trifluoro acetate anion 1A'Cs
1028 CF3COF trifluoroacetyl fluoride 1A'Cs
1029 PF6 Hexafluorophosphate neutral 2B2C2v
1030 PF6- Hexafluorophosphate ion 1A1GOh
1031 SF6 Sulfur Hexafluoride 1A1GOh
1032 SeF6 Selenium hexafluoride 1A1GOh
1033 SF5Cl sulfur chloropentafluoride 1A1C4v
1034 CF3CHF2 pentafluoroethane 1A'Cs
1035 C8H6 Calicene 1A1C2v
1036 S4N4 Tetrasulfur tetranitride   
1037 C4F4 tetrafluorcyclobutadiene 1A1GD4h
1038 C4F4 tetrafluorcyclobutadiene 1AGC2h
1039 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1040 C6H4Cl2 1,4-dichlorobenzene   
1041 C6H5NO nitrosobenzene 1A'Cs
1042 C9H8 spiro[4.4]nona-1,3,6,8-tetraene 1A1D2d
1043 C9H20 Nonane 1A1C2v
1044 C(CN)4 tetracyanomethane 1A1Td
1045 C3H3N3O3 cyanuric acid 1A1'D3h
1046 C3F6 hexafluoropropene   
1047 C6H3F3 Benzene trifluoride 123 1A1C2v
1048 C10H8 Azulene 1A1C2v
1049 C10H8 naphthalene 1AgD2h
1050 C10H10 bullvalene   
1051 C12H8 biphenylene 1AgD2h
1052 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 Li+ Lithium atom cation li+  
11 Na- Sodium atom anion na-  
12 Na+ Sodium atom cation na+  
13 K Potassium atom k  
14 K- Potassium atom anion k-  
15 K+ Potassium atom cation k+  
16 Cu Copper atom cu  
17 Cu- Copper atom anion cu-  
18 Cu+ Copper atom cation cu+  
19 LiH- lithium hydride anion lih-  
20 NaH- sodium hydride anion nah-  
21 KH Potassium hydride kh  
22 KH+ Potassium hydrogen cation kh+  
23 CuH Copper monohydride cuh  
24 Be- Beryllium atom anion be-  
25 Mg- Magnesium atom anion mg-  
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 ZnH Zinc monohydride znh  
36 CaH2 Calcium Hydride cah2  
37 ZnH2 Zinc hydride znh2  
38 B- Boron atom anion b-  
39 BH- boron monohydride anion bh-  
40 BH+ boron monohydride cation bh+  
41 AlH aluminum monohydride alh  
42 AlH- aluminum monohydride anion alh-  
43 AlH+ aluminum monohydride cation alh+  
44 BH2 boron dihydride bh2  
45 AlH2 aluminum dihydride alh2  
46 AlH2- aluminum dihydride anion alh2-  
47 AlH2+ aluminum dihydride cation alh2+  
48 BH3- boron trihydride anion bh3-  
49 AlH3+ aluminum trihydride cation alh3+  
50 AlH4- Aluminum tetrahydride anion alh4-  
51 C- Carbon atom anion c-  
52 Ti Titanium atom ti  
53 Ti- Titanium atom anion ti-  
54 Ti+ Titanium atom cation ti+  
55 Ge Germanium atom ge  
56 Sn Tin atom sn  
57 Sn+ Tin cation sn+  
58 CH Methylidyne ch  
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 GeH3 Germyl radical geh3  
65 CH4+ Methane cation ch4+  
66 SiH4+ Silane cation sih4+  
67 SnH4 Stannane snh4  
68 N- Nitrogen atom anion n-  
69 P- Phosphorus atom anion p-  
70 P+ Phosphorus atom cation p+  
71 Sb Antimony atom sb  
72 NH Imidogen nh  
73 NH- Imidogen anion nh-  
74 NH+ imidogen cation nh+  
75 PH- phosphorus monohydride anion ph-  
76 PH+ phosphorus monohydride cation ph+  
77 AsH Arsenic monohydride ash  
78 SbH Antimony monohydride sbh  
79 ND2 Amidogen-d2 nd2  
80 NH2- amino anion nh2-  
81 PH2 Phosphino radical ph2  
82 PH2- Phosphino anion ph2-  
83 PH2+ Phosphino cation ph2+  
84 AsH2 Arsenic dihydride ash2  
85 ND3 Ammonia-d3 nd3  
86 AsH3+ Arsine cation ash3+  
87 SbH3 Stibine sbh3  
88 AsH4+ Arsonium ash4+  
89 O- Oxygen atom anion o-  
90 Cr Chromium atom cr  
91 Te Tellurium atom te  
92 Te+ Tellurium atom cation te+  
93 DO Hydroxyl-d od  
94 DS Mercapto-d ds  
95 TeH Telluryl radical teh  
96 D2O Deuterium oxide d2o  
97 D2S Hydrogen sulfide-d2 d2s  
98 H2Te Hydrogen Telluride h2te  
99 Mn Manganese atom mn  
100 I Iodine atom iodine  
101 I- Iodine atom anion iodine-  
102 I+ Iodine atom cation iodine+  
103 DF Hydrofluoric acid-d df  
104 HF- hydrogen fluoride anion hf-  
105 HF+ hydrogen fluoride cation hf+  
106 DCl Hydrochloric acid-d dcl  
107 HCl- hydrogen chloride anion hcl-  
108 HI Hydrogen iodide hi  
109 HI+ Hydrogen iodide cation hi+  
110 H2F+ dihydrogen fluoride cation h2f+  
111 H2I+ Iodonium h2i+  
112 Ne- Neon atom anion ne-  
113 Ar- Argon atom anion ar-  
114 Ar+ Argon atom cation ar+  
115 Fe Iron atom fe  
116 Xe Xenon atom xe  
117 NeH+ neon hydrogen cation neh+  
118 XeH+ Xenon, protonated xeh+  
119 Co Cobalt atom cobalt  
120 Ni Nickel atom ni  
121 Li2- lithium diatomic anion li2-  
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 anion cs-  
237 CS+ carbon monosulfide cation cs+  
238 SiO Silicon monoxide sio  
239 SiO- silicon monoxide anion sio-  
240 SiO+ silicon monoxide cation sio+  
241 SiS silicon monosulfide sis  
242 SiS- silicon monosulfide anion sis-  
243 SiS+ silicon monosulfide cation sis+  
244 CSe Carbon monoselenide cse  
245 CSe- Carbon monoselenide anion cse-  
246 CSe+ Carbon monoselenide cation cse+  
247 GeSe Germanium monoselenide gese  
248 NS+ nitrogen sulfide cation ns+  
249 PO- phosphorus monoxide anion po-  
250 PO+ phosphorus monoxide cation po+  
251 PS- phosphorus monosulfide anion ps-  
252 PS+ phosphorus monosulfide cation ps+  
253 AsO Arsenic monoxide aso  
254 O2-- dioxygen dianion o2--  
255 SO- sulfur monoxide anion so-  
256 S2- sulfur diatomic anion s2-  
257 S2+ sulfur diatomic cation s2+  
258 SeO- selenium monoxide anion seo-  
259 SeO+ selenium monoxide cation seo+  
260 SeS Selenium monosulfide ses  
261 SeS- selenium monosulfide anion ses-  
262 SeS+ selenium monosulfide cation ses+  
263 TeO Tellurium monoxide teo  
264 Se2 Selenium diatomic se2  
265 Se2- selenium diatomic anion se2-  
266 Se2+ selenium diatomic cation se2+  
267 Te2 Tellurium diatomic te2  
268 NaOH sodium hydroxide naoh  
269 KOH Potassium hydroxide koh  
270 MgOH magnesium hydroxide mgoh  
271 CaOH Calcium monohydroxide caoh  
272 HBS hydrogen boron sulfide hbs  
273 HCO Formyl radical hco  
274 HCO+ Formyl cation hco+  
275 HCS Thioformyl radical hcs  
276 HCS- Thioformyl anion hcs-  
277 HCS+ Thioformyl cation hcs+  
278 HNO Nitrosyl hydride hno  
279 HNO- Nitrosyl hydride anion hno-  
280 HNS Sulfur imide hns  
281 HNS- Sulfur imide anion hns-  
282 HO2- Hydroperoxy anion ho2-  
283 H2CSe Selenoformaldehyde h2cse  
284 H2Se2 hydrogen diselenide h2se2  
285 CH3O Methoxy radical ch3o  
286 CH3S thiomethoxy ch3s  
287 H3O2+ hydrogen peroxide, protonated h3o2+  
288 CH3SeH Methane selenol ch3seh  
289 CH3OH2+ Methanol, protonated ch3oh2+  
290 H2ONH3 Water Ammonia Dimer h2onh3  
291 LiCl- lithium chloride anion licl-  
292 LiCl+ lithium chloride cation licl+  
293 NaF- sodium fluoride anion naf-  
294 KF Potassium Fluoride kf  
295 NaCl- sodium chloride anion nacl-  
296 NaCl+ sodium chloride cation nacl+  
297 KCl Potassium Chloride kcl  
298 CuF Copper monofluoride cuf  
299 LiBr- lithium bromide anion libr-  
300 LiBr+ lithium bromide cation libr+  
301 CuCl Copper monochloride cucl  
302 NaBr Sodium Bromide nabr  
303 NaBr- sodium bromide anion nabr-  
304 NaBr+ sodium bromide cation nabr+  
305 KBr Potassium Bromide kbr  
306 LiI Lithium Iodide lii  
307 NaI Sodium Iodide nai  
308 KI Potassium Iodide ki  
309 LiF- lithium fluoride anion lif-  
310 BeF Beryllium monofluoride bef  
311 BeF+ Beryllium monofluoride cation bef+  
312 BeCl beryllium monochloride becl  
313 MgF Magnesium monofluoride mgf  
314 MgF- magnesium fluoride anion mgf-  
315 CaF Calcium monofluoride caf  
316 MgCl magnesium monochloride mgcl  
317 MgCl- magnesium monochloride anion mgcl-  
318 MgCl+ magnesium monochloride cation mgcl+  
319 CaCl calcium monochloride cacl  
320 ZnF- Zinc monofluoride anion znf-  
321 ZnF+ Zinc monofluoride cation znf+  
322 ZnCl Zinc monochloride zncl  
323 BeCl- beryllium monochloride anion becl-  
324 BeCl+ beryllium monochloride cation becl+  
325 BF- Boron monofluoride anion bf-  
326 BF+ Boron monofluoride cation bf+  
327 AlF Aluminum monofluoride alf  
328 AlF- Aluminum monofluoride anion alf-  
329 AlF+ Aluminum monofluoride cation alf+  
330 BCl boron monochloride bcl  
331 BCl- boron monochloride anion bcl-  
332 BCl+ boron monochloride cation bcl+  
333 AlCl- aluminum monochloride anion alcl-  
334 AlCl+ aluminum monochloride cation alcl+  
335 AlI Aluminum monoiodide ali  
336 GaBr Gallium monobromide gabr  
337 CF- carbon monofluoride anion cf-  
338 CF+ carbon monofluoride cation cf+  
339 CCl carbon monochloride ccl  
340 CCl- carbon monochloride anion ccl-  
341 CCl+ carbon monochloride cation ccl+  
342 SiCl Clorosilylidyne sicl  
343 SiCl- silicon monochloride anion sicl-  
344 SiCl+ silicon monochloride cation sicl+  
345 GeF Germanium monofluoride gef  
346 GeCl Germanium monochloride gecl  
347 NF nitrogen fluoride nf  
348 NF- nitrogen monofluorine anion nf-  
349 NF+ nitrogen monofluoirde cation nf+  
350 NCl- nitrogen monochloride anion ncl-  
351 NCl+ nitrogen monochloride cation ncl+  
352 PF phosphorus monofluoride pf  
353 PF- phosphorus monofluoride anion pf-  
354 PF+ phosphorus monofluoride cation pf+  
355 PCl phosphorus chloride pcl  
356 PCl- phosphorus monochloride anion pcl-  
357 PCl+ phosphorus monochloride cation pcl+  
358 SbF Antimony monofluoride sbf  
359 SbCl Antimony monochloride sbcl  
360 FO- flourine oxide anion fo-  
361 FO+ fluorine monoxide cation fo+  
362 ClO Monochlorine monoxide clo  
363 ClO- chlorine monoxide anion clo-  
364 ClO+ chlorine monoxide cation clo+  
365 SF- sulfur monofluoride anion sf-  
366 SF+ sulfur monofluoride cation sf+  
367 SCl- sulfur monochloride anion scl-  
368 SCl+ sulfur monochloride cation scl+  
369 BrO+ Bromine monoxide cation bro+  
370 SBr Sulfur monobromide radical sbr  
371 SBr+ Sulfur monobromide cation sbr+  
372 IO Iodine monoxide io  
373 SeBr Selenium monobromide sebr  
374 ClF- clorine monofluoride anion clf-  
375 BrF- bromine fluoride anion brf-  
376 BrF+ bromine fluoride cation brf+  
377 BrCl- bromine chloride anion brcl-  
378 BrCl+ bromine chloride cation brcl+  
379 IF Iodine monofluoride if  
380 ICl Iodine monochloride icl  
381 IBr Iodine monobromide ibr  
382 I2 Iodine diatomic i2  
383 I2+ Iodine diatomic cation i2+  
384 HSiF fluorosilylene hsif  
385 HSiCl Chlorosilylene hsicl  
386 HSiBr monobromosilylene hsibr  
387 CHBr bromomethylene chbr  
388 HOF Hypofluorous acid hfo  
389 DOCl Hypochlorous acid-d docl  
390 HOI Hypoiodous acid hoi  
391 FHF Hydrogen difluoride fhf  
392 FHF- Hydrogen difluoride anion fhf-  
393 NH2F monofluoroamine nh2f  
394 H2F2 Hydrogen fluoride dimer h2f2  
395 CH3Cl+ Methyl chloride cation ch3cl+  
396 SiH3F monofluorosilane sih3f  
397 GeH3F monofluorogermane geh3f  
398 GeH3Cl monochlorogermane geh3cl  
399 SiH3Br bromosilane sih3br  
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 NF2 Difluoroamino radical nf2  
521 NF2+ Difluoroamino cation nf2+  
522 PF2+ Phosphorus difluoride cation pf2+  
523 F2O Difluorine monoxide f2o  
524 SF2+ sulfur difluoride cation sf2+  
525 Cl2O Dichlorine monoxide cl2o  
526 SeF2 Selenium difluoride sef2  
527 BrOCl Bromine hypochlorite brocl  
528 SeCl2 Selenium Dichloride secl2  
529 SBr2 Sulfur dibromide sbr2  
530 SeBr2 Selenium dibromide sebr2  
531 BrOBr Bromine oxide brobr  
532 Br3- tribromide anion br3-  
533 I3- triiodide i3-  
534 HCCF Fluoroacetylene hccf  
535 HCCF+ fluoroacetylene cation hccf+  
536 HFCO formyl fluoride hfco  
537 COHCl Formyl chloride cohcl  
538 COHBr Formyl bromide cohbr  
539 BHF2 Difluoroborane bhf2  
540 BHCl2 Borane, dichloro- bhcl2  
541 CHF2 difluoromethyl radical chf2  
542 HOClO Chlorous acid hoclo  
543 CH2F2 Methane, difluoro- ch2f2  
544 CH2FCl fluorochloromethane ch2fcl  
545 CH2FI fluoroiodomethane ch2fi  
546 CH2ClI chloroiodomethane ch2cli  
547 CH2BrI bromoiodomethane ch2bri  
548 CH2I2 Diiodomethane ch2i2  
549 CH2CHF Ethene, fluoro- ch2chf  
550 CH2CHF+ fluoroethene cation ch2chf+  
551 C2H3Cl Ethene, chloro- ch2chcl  
552 C2H3Br vinyl bromide c2h3br  
553 C2H3I Vinyl iodide c2h3i  
554 CH3OCl methyl hypochlorite ch3ocl  
555 C2H5F fluoroethane c2h5f  
556 CH3CH2Cl Ethyl chloride c2h5cl  
557 CH3SiFH2 fluoromethylsilane ch3sifh2  
558 C2H5Br Ethyl bromide etbr  
559 C2H5I Ethyl iodide c2h5i  
560 XeF2 Xenon difluoride xef2  
561 C4+ Carbon tetramer cation c4+  
562 C2H3CCH 1-Buten-3-yne c2h3cch  
563 H2CCCCH2 Butatriene h2cccch2  
564 C4H6 Cyclobutene c822355  
565 C4H6 Methylenecyclopropane c6142730  
566 CH2CCHCH3 1,2-Butadiene butad12  
567 CH2CHCHCH2 1,3-Butadiene c106990  
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 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
725 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
726 CH2CFCH3 2-fluoropropene 2fpro  
727 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
728 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
729 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
730 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
731 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
732 CH3CH2CH2Br n-propyl bromide prbr  
733 CH3CHBrCH3 i-propyl bromide iprbr  
734 C3H9O+ trimethyl oxonium cation c3h9o+  
735 C5H5 cyclopentadienyl radical c5h5  
736 C5H5- cylopentadienyl anion c5h5-  
737 C5H6 1,3-Cyclopentadiene c542927  
738 C5H6 1-Buten-3-yne, 2-methyl- c78808  
739 C5H6 3-Penten-1-yne, (E)- c2004695  
740 C5H6 3-Penten-1-yne, (Z)- c1574409  
741 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
742 C5H6 Cyclopropylacetylene c6746947  
743 C5H7 1,3-pentadienyl radical pdyl  
744 C5H7 cyclopentenyl radical cpyl  
745 C5H8 1,2-Butadiene, 3-methyl- c598254  
746 C5H8 1,2-Pentadiene c591957  
747 C5H8 1,3-Butadiene, 2-methyl- c78795  
748 C5H8 1,3-Pentadiene, (E)- c2004708  
749 C5H8 1,3-Pentadiene, (Z)- c1574410  
750 C5H8 1,4-Pentadiene c591935  
751 C5H8 1-pentyne a1pentyne  
752 C5H8 2,3-Pentadiene c591968  
753 C5H8 Cyclobutane, methylene- c1120565  
754 C5H8 Cyclopentene c142290  
755 CH3CCCH2CH3 2-Pentyne 2pentyne  
756 C5H10 1-Butene, 2-methyl- c563462  
757 C5H10 2-Butene, 2-methyl- c513359  
758 C5H10 2-Pentene, (E)- c646048  
759 C5H10 2-Pentene, (Z)- c627203  
760 C5H10 Cyclopentane c287923  
761 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
762 CH2CHCH2CH2CH3 1-pentene pentene  
763 C5H11 2-Methylbut-2-yl radical c4348350  
764 C5H12 Butane, 2-methyl- buta2  
765 C5H12 Pentane pentane  
766 C5H12 Propane, 2,2-dimethyl- neopentane  
767 Si(CH3)4 tetramethylsilane tms  
768 N2O3 Dinitrogen trioxide n2o3  
769 C3H2N2 Malononitrile c3h2n2  
770 C2H3N3 1H-1,2,4-Triazole c288880  
771 C3H4N2 1H-Pyrazole 1hpyraz  
772 C4H5N (E)-2-Butenenitrile c627269  
773 C4H5N (Z)-2-Butenenitrile c1190767  
774 C4H5N 2H-pyrrole pyrrole2  
775 C4H5N 3H-pyrrole pyrrole3  
776 C4H5N Cyclopropanecarbonitrile c5500210  
777 CH2CHCH2CN Allylcyanide ch2chch2cn  
778 C3H6N2 3-Aminopropionitrile c151188  
779 C5H8 Bicyclo[2.1.0]pentane c185944  
780 C5H8 Spiropentane c157404  
781 C4H9N Cyclobutylamine cbam  
782 C4H9N Pyrrolidine pyrrolidine  
783 C3H10N2 1,2-Diaminopropane diampr12  
784 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
785 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
786 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
787 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
788 C3O2+ Carbon suboxide cation c3o2+  
789 B2O3 diboron trioxide b2o3  
790 CaCO3 Calcium Carbonate caco3  
791 PO4--- phosphate po4---  
792 SO4-- sulfate so4--  
793 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
794 CHOCOOH oxo acetic acid oaa  
795 H2SO4 Sulfuric acid h2so4  
796 CH3C(O)OO acetyl peroxy radical ch3coo2  
797 CH3NO3 Methyl nitrate ch3no3  
798 H3PO4 Phosphoric Acid h3po4  
799 C4H4O Furan furan  
800 C4H4O+ Furan cation furan+  
801 C4H4S Thiophene furans  
802 C3H4O2 β–Propiolactone beta  
803 C3H4O2 2-Propenoic acid propenoic2  
804 C3H4O2 propanedial propanedial  
805 C3H4O2 propenalol propenalol  
806 C2H4O3 trioxolane124 triox  
807 HOCH2COOH Hydroxyacetic acid hac  
808 CH2CHCONH2 Acrylamide c79061  
809 CH5N3S Hydrazinecarbothioamide c79196  
810 H2NCH2COOH Glycine glycine  
811 CH3SO2NH2 methanesulfonamide ch3so2nh2  
812 C4H6O cis-2-butenal butenal2c  
813 C4H6O Cyclobutanone cbutone  
814 C4H6O Furan, 2,3-dihydro- furan23h  
815 C4H6O Furan, 2,5-dihydro- furan25h  
816 CHOCHCHCH3 2-Butenal butenal2  
817 C4H6S Thiophene, 2,3-dihydro- thiop23h  
818 C4H6S Thiophene, 2,5-dihydro- thiop25h  
819 C2H6N2O Urea, methyl- c598505  
820 C3H6O2 1,3-Dioxolane dioxolane  
821 CH3CH2COOH Propanoic Acid propanoic  
822 CH3COOCH3 methyl acetate aame  
823 CH3SSSCH3 dimethyl trisulfide c2h6s3  
824 C3H7NO dimethylformamide dmf  
825 C3H7NO Propanamide propanam  
826 C2H3OC2H5 Ethene, ethoxy- c109922  
827 C4H8O Cyclobutanol c2919235  
828 C4H8O Furan, tetrahydro- thf  
829 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
830 CH3COCH2CH3 2-Butanone buta2one  
831 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
832 CHOCH2CH2CH3 Butanal butanal  
833 C3H8O2 1,3-Propanediol c504632  
834 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
835 C3H8O2 Methane, dimethoxy- c109875  
836 C3H8O2 Propylene glycol c57556  
837 C3H8S2 1,3-Propanedithiol c109808  
838 C4H10O 1-Propanol, 2-methyl- c78831  
839 C4H10O 2-Butanol, (.+/-.)- butanol2  
840 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
841 C4H10O Ethoxy ethane etoet  
842 C4H10O Propane, 2-methoxy- c598538  
843 C4H10O+ 1-Butanol cation butanol1+  
844 C2H5SC2H5 Diethyl sulfide etset  
845 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
846 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
847 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
848 FNO3 Fluorine nitrate fno3  
849 ClONO2 Chlorine nitrate clono2  
850 TiCl4 Titanium tetrachloride ticl4  
851 ClO4- perchlorate anion clo4-  
852 BF4- tetrafluoroboron anion bf4-  
853 ClFO3 Perchloryl fluoride clfo3  
854 SO2F2 Sulfuryl fluoride so2f2  
855 SO2Cl2 Sulfuryl chloride so2cl2  
856 F3NO Nitrogen trifluoride oxide f3no  
857 F3PO Phosphoryl fluoride pf3o  
858 Cl3PO Phosphoryl chloride pcl3o  
859 CF4 Carbon tetrafluoride cf4  
860 CF3Cl Methane, chlorotrifluoro- cf3cl  
861 SiF4 Silicon tetrafluoride sif4  
862 CF2Cl2 difluorodichloromethane cf2cl2  
863 CFCl3 Trichloromonofluoromethane cfcl3  
864 GeF4 Germanium tetrafluoride gef4  
865 CCl4 Carbon tetrachloride ccl4  
866 CCl4+ Carbon tetrachloride cation ccl4+  
867 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
868 SiCl4 Silane, tetrachloro- sicl4  
869 CF3I trifluoroiodomethane cf3i  
870 CBrCl3 Methane, bromotrichloro- cbrcl3  
871 CBr2F2 Methane, dibromodifluoro- cbr2f2  
872 GeCl4 Germanium Tetrachloride gecl4  
873 CCl3I trichloroiodomethane ccl3i  
874 CFClBrI fluorochlorobromoiodomethane cfclbri  
875 CF2I2 difluorodiiodomethane cf2i2  
876 CCl2I2 dichlorodiiodomethane ccl2i2  
877 SiBr4 Silicon tetrabromide sibr4  
878 CBr3I tribromoiododmethane cbr3i  
879 GeBr4 Germanium tetrabromide gebr4  
880 CI4 tetraiodomethane ci4  
881 SiI4 silicon tetraiodide sii4  
882 SCl4 Sulfur tetrachloride scl4  
883 C2HF3 Trifluoroethylene c2hf3  
884 C2HF3+ Trifluoroethylene cation c2hf3+  
885 CHClCCl2 Trichloroethylene chclccl2  
886 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
887 HClO4 perchloric acid hclo4  
888 HSO3F Fluorosulfonic acid hso3f  
889 CHClCCHCl 1,3-dichloroallene chclcchcl  
890 CHCl2CHO dichloroacetaldehyde chcl2cho  
891 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
892 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
893 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
894 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
895 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
896 NH3BCl3 Amminetrichloroboron nh3bcl3  
897 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
898 C3H5ClO Oxirane, (chloromethyl)- c106898  
899 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
900 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
901 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
902 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
903 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
904 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
905 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
906 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
907 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
908 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
909 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
910 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
911 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
912 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
913 C4H9F 1-fluorobutane butaf1  
914 CH3CHFCH2CH3 2-fluorobutane butaf2  
915 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
916 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
917 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
918 XeF4 Xenon tetrafluoride xef4  
919 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
920 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
921 C6H4 Benzyne benzyne  
922 C6H5 phenyl phenyl  
923 C6H6 2,4-Hexadiyne hexadiyne  
924 C6H6 3,4-Dimethylenecyclobutene cb34m  
925 C6H6 Benzene benzene  
926 C6H6+ Benzene cation c6h6+  
927 C6H8 (E)-hexa-1,3,5-triene c821078  
928 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
929 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
930 C6H8 1,3-Cyclohexadiene cyhexadiene13  
931 C6H8 1,4-Cyclohexadiene cyhexadiene14  
932 C6H8 3-Methylenecyclopentene c930267  
933 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
934 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
935 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
936 C6H10 1,3-Hexadiene, (E)- hexdi13e  
937 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
938 C6H10 1,4-Hexadiene, (E)- hexdi14t  
939 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
940 C6H10 1-Butyne, 3,3-dimethyl- c917920  
941 C6H10 1-Hexyne hexyne1  
942 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
943 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
944 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
945 C6H10 2-Hexyne c764352  
946 C6H10 cyclohexene cyclohexene  
947 C6H10 Cyclopentene, 1-methyl- c693890  
948 C6H10 Cyclopentene, 3-methyl- c1120623  
949 C6H10 Cyclopentene, 4-methyl- c1759815  
950 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
951 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
952 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
953 C6H12 (E)-2-Hexene e2hexene  
954 C6H12 (E)-3-methylpent-2-ene c616126  
955 C6H12 (Z)-3-methylpent-2-ene c922623  
956 C6H12 (Z)-hex-2-ene z2hexene  
957 C6H12 2,3-dimethyl-but-2-ene tmeet  
958 C6H12 3-methylenepentane c760214  
959 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
960 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
961 C6H12 Cyclohexane cyclohexane  
962 C6H12 Cyclopentane, methyl- c96377  
963 C6H12 Ethylcyclobutane c4806615  
964 C6H14 Butane, 2,2-dimethyl- buta22  
965 C6H14 Butane, 2,3-dimethyl- buta23  
966 C6H14 Hexane hexane  
967 C6H14 Pentane, 2-methyl- penta2  
968 C6H14 Pentane, 3-methyl- penta3  
969 C4N2 2-Butynedinitrile c4n2  
970 C2H2N4 sym-tetrazine ttz  
971 C3H3N3 1,3,5-Triazine triazine135  
972 CH3N5 5-Aminotetrazole c4418615  
973 C4H4N2 1,3-Diazine diazine13  
974 C4H4N2 Pyrazine pyrazine  
975 C4H4N2 Pyridazine pyridazine  
976 C4H4N2 Succinonitrile c110612  
977 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
978 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
979 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
980 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
981 C5H5N E-2,4-pentadienenitrile bdcn  
982 C5H5N Pyridine pyridine  
983 B3N3H6 borazine borazine  
984 C6H6 Fulvene fulvene  
985 C4H6N2 1H-Imidazole, 2-methyl- c693981  
986 C5H7N (E)-2-Pentenenitrile c26294984  
987 C5H7N (E)-3-Pentenenitrile c16529661  
988 C5H7N (Z)-2-Pentenenitrile c25899507  
989 C5H7N 1H-Pyrrole, 1-methyl- c96548  
990 C5H7N Cyclobutanecarbonitrile c4426113  
991 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
992 C5H9N Butanenitrile, 2-methyl- c18936179  
993 C5H9N Pentanenitrile c110598  
994 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
995 C6H10 Bicyclo[3.1.0]hexane c285585  
996 C5H11N Cyclopentanamine cypentam  
997 C5H11N Piperidine piper  
998 C4H12N2 1,2-Butanediamine c4426486  
999 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1000 Li2CO3 Lithium Carbonate li2co3  
1001 C2O4-- oxalate anion c2o4  
1002 N2O4 Dinitrogen tetroxide n2o4  
1003 C2H3NO3 Oxamic acid oxamic  
1004 C4H4O2 2(5H)-Furanone furanone  
1005 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1006 C2H4N2O2 Oxalamide oxalamide  
1007 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1008 C3H4S3 1,3-Dithiolane-2-thione c822388  
1009 C2H4O4 Formic acid dimer fadimer  
1010 C4H5NO 3-Methylisoxazole isox3m  
1011 C4H5NO Isoxazole, 5-methyl- c5765446  
1012 C4H5NS 4-Methylthiazole c693958  
1013 C5H6O 2-methylfuran furan2m  
1014 C5H6O 3-Methylfuran furan3m  
1015 C5H6S Thiophene, 2-methyl- c554143  
1016 C5H6S Thiophene, 3-methyl- c616444  
1017 C4H6O2 γ–Butyrolactone c96480  
1018 C4H6O2 2,3-Butanedione c431038  
1019 C4H6O2 2-Propenoic acid, methyl ester c96333  
1020 C4H6O2 Crotonic Acid crot  
1021 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1022 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1023 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1024 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1025 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1026 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1027 C4H6OS Vinyl sulfoxide c1115157  
1028 CH6N4S Carbonothioic dihydrazide thiacarb  
1029 C2H6N2O2 (E)-Azodioxymethane c37765154  
1030 C2H6N2O2 Dimethylnitroamine c4164287  
1031 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1032 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1033 C4H7NO 2-Pyrrolidinone c616455  
1034 C4H7NO Methacrylamide c79390  
1035 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1036 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1037 C3H7ONO Propyl nitrite prono  
1038 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1039 CH3CH(NH2)COOH Alanine alanine  
1040 CH3NHCH2COOH Sarcosine sarcosine  
1041 NH2CH2CH2COOH β–alanine betaalanine  
1042 NH2COOC2H5 Urethane urethane  
1043 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1044 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1045 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1046 NH2CONHC2H5 Urea, ethyl- c625525  
1047 C4H8O2 1,3-Dioxane dioxan13  
1048 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1049 C4H8O2 1,4-Dioxane dioxan14  
1050 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1051 C4H8OS s-Ethyl thioacetate c625605  
1052 C3H8O3 1,2,3-Propanetriol glycerin  
1053 C3H8O2S (Methylsulfonyl)ethane c594434  
1054 C4H9NO Butanamide c541355  
1055 C4H9NO Propanamide, 2-methyl- c563837  
1056 C5H10O 2-Butanone, 3-methyl- c563804  
1057 C5H10O 2H-Pyran, tetrahydro- c142687  
1058 C5H10O 2-Pentanone mpk  
1059 C5H10O Cyclopentanol c96413  
1060 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1061 C5H10O Pentanal pal  
1062 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1063 C5H10S 3-Ethylthio-1-propene c5296628  
1064 C5H10S Cyclopentanethiol c1679078  
1065 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1066 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1067 C4H10O2 1,1-Dimethoxyethane c534156  
1068 C4H10O2 1,3-Butanediol budiol13  
1069 C4H10O2 1,4-Butanediol budiol14  
1070 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1071 C4H10OS Diethyl sulfoxide c70291  
1072 C4H10S2 1,4-Butanedithiol budisl14  
1073 C4H11NO Diethylhydroxylamine c3710847  
1074 C5H12O 1-Butanol, 2-methyl- c137326  
1075 C5H12O 1-Butanol, 3-methyl- c123513  
1076 C5H12O 1-Pentanol pentanol1  
1077 C5H12O 2-Butanol, 3-methyl- c598754  
1078 C5H12O 2-Pentanol peol2  
1079 C5H12O 3-Pentanol pentan3ol  
1080 C5H12O Butane, 1-methoxy- meobu  
1081 C5H12O Propane, 1-ethoxy- proet  
1082 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1083 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1084 C5H12S 1-Butanethiol, 3-methyl- c541311  
1085 C5H12S 1-Pentanethiol c110667  
1086 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1087 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1088 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1089 C5H12S Butane, 1-(methylthio)- c628295  
1090 C5H12S Ethyl propyl sulfide c4110503  
1091 C5H12S Propane, 2-(ethylthio)- c5145993  
1092 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1093 CF3CN Acetonitrile, trifluoro- cf3cn  
1094 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1095 B2F4 Diboron tetrafluoride b2f4  
1096 C2F4 Tetrafluoroethylene c2f4  
1097 C2F4+ Tetrafluoroethylene cation c2f4+  
1098 C2FCl3 fluorotrichloroethene c2fcl3  
1099 C2Cl4 Tetrachloroethylene c2cl4  
1100 PF5 Phosphorus pentafluoride pf5  
1101 AsF5 Arsenic pentafluoride asf5  
1102 PCl5 Phosphorus pentachloride pcl5  
1103 SbCl5 Antimony pentachloride sbcl5  
1104 BrF5 bromine pentafluoride brf5  
1105 ClF5 chlorinepentafluoride clf5  
1106 IF5 pentafluoroiodine if5  
1107 CF3CHO trifluoroacetaldehyde cf3cho  
1108 CCl3CHO trichloroacetaldehyde ccl3cho  
1109 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1110 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1111 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1112 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1113 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1114 C4H8Cl2 1,4-Dichlorobutane c110565  
1115 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1116 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1117 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1118 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1119 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1120 C5H11Cl Pentane, 1-chloro- pencl1  
1121 C6H5CH2 benzyl radical benzyl  
1122 C6H5CH3 toluene toluene  
1123 C7H8 cycloheptatriene cht  
1124 C7H8 Norbornadiene norbor  
1125 C7H8 Quadricyclane qucy  
1126 C7H12 Norbornane nor  
1127 C7H16 2-methylhexane 2mhex  
1128 C7H16 3-methylhexane hex3m  
1129 C7H16 heptane heptane  
1130 CH(CN)3 tricyanomethane mecn3  
1131 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1132 C6H7N 2-Methylpyridine mp  
1133 C6H5NH2 aniline aniline  
1134 C6H13N 2-Methylpiperidine pip2m  
1135 C6H13N cyclohexanamine cham  
1136 C6H15N triethylamine tea  
1137 N2O5 Dinitrogen pentoxide n2o5  
1138 C4H2O3 Maleic Anhydride malan  
1139 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1140 C5H4O2 furfural furfural  
1141 C6H5O phenoxy radical phenoxy  
1142 C5H5NO 2(1H)-Pyridinone c72762006  
1143 C5H5NO 2(3H)-Pyridinone c9000048  
1144 C5H5NO 2(5H)-Pyridinone c9000037  
1145 C5H5NO 2-Pyridinol c109104  
1146 C5H5NO 3(2H)-Pyridinone c9000004  
1147 C5H5NO 3(4H)-Pyridinone c9000026  
1148 C5H5NO 3(6H)-Pyridinone c9000015  
1149 C5H5NO 3-Pyridinol c109002  
1150 C5H5NO 4(1H)-Pryidinone c9000060  
1151 C5H5NO 4(3H)-Pryidinone c9000059  
1152 C5H5NO 4-Pyridinol c626642  
1153 C6H5OH phenol phenol  
1154 C6H6O 2,4-Cyclohexadienone c24599573  
1155 C6H5SH Benzenethiol phsh  
1156 C5H8O2 Acetylacetone acac  
1157 C4H8O2S Sulfolane sulfolane  
1158 CH(C2H3)3 trivinyl methane tvm  
1159 C6H10O cyclohexanone chexo  
1160 C6H12O hexanal c6h12o  
1161 CF3COCl trifluoroacetyl chloride cf3cocl  
1162 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1163 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1164 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1165 CCl3CHCl2 pentachloroethane ccl3chcl2  
1166 C6H5F Fluorobenzene bzf  
1167 C6H5Cl chlorobenzene bzcl  
1168 C6H5Br bromobenzene bzbr  
1169 C6H5CCH phenylacetylene phac  
1170 C8H6 benzocyclobutadiene bcbd  
1171 C8H6 Pentalene pentalene  
1172 C6H5CHCH2 Styrene styrene  
1173 C8H8 cubane cubane  
1174 C8H8 cyclooctatetraene cot  
1175 C6H5CH2CH3 Ethylbenzene etbz  
1176 CH3C6H4CH3 meta-xylene mxylene  
1177 CH3C6H4CH3 paraxylene pxylene  
1178 C8H14 Bicyclo[2.2.2]octane bico222  
1179 C8H16 cyclooctane cyclooct  
1180 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1181 C8H18 Octane c8h18  
1182 C6H5CN phenyl cyanide phcn  
1183 C6H12N2 Triethylenediamine ted  
1184 C4O4-- squarate dianion c4o4--  
1185 S8 Octasulfur s8  
1186 C6H4O2 parabenzoquinone pbq  
1187 C4H4N2O2 Uracil uracil  
1188 C6H5CHO benzaldehyde benzal  
1189 C6H5OCH3 Anisole anisole  
1190 C5H9NO2 Proline proline  
1191 C6H12O2 Methyl pivalate c598981  
1192 C6H12O2 Hexanoic acid hexa  
1193 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1194 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1195 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1196 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1197 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1198 C2F6 hexafluoroethane c2f6  
1199 C2Cl6 hexachloroethane c2cl6  
1200 IF7 Iodine heptafluoride if7  
1201 C6H4F2 metadifluorobenzene mdfb  
1202 C6H4F2 orthodifluorobenzene odfb  
1203 C6H4F2 1,4-difluorobenzene pdfb  
1204 C6H4Cl2 1,2-dichlorobenzene dcb12  
1205 C6H4Cl2 1,3-dichlorobenzene dcb13  
1206 C9H8 Indene indene  
1207 C9H12 n-propyl benzene prbz  
1208 C5H4N4 purine purine  
1209 C8H7N Indole indole  
1210 C6H5NO2 Nitrobenzene c6h5no2  
1211 C6H5COOH benzoic acid benzo  
1212 CH3COC6H5 acetophenone acph  
1213 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1214 C8H18O 1-Octanol octanol  
1215 C10H16 adamantane adamantane  
1216 C6N4 Tetracyanoethylene tcne  
1217 C10H22 Decane decane  
1218 C4F6 perfluorobutadiene c4f6  
1219 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1220 C3F8 perfluoropropane c3f8  
1221 Fe(CO)5 Iron pentacarbonyl ipc  
1222 Fe(C5H5)2 ferrocene fecp2  
1223 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1224 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1225 C12H8 Acenaphthylene acenaph  
1226 C12H10 biphenyl biphenyl  
1227 C12H10 Heptalene heptalene  
1228 C6H12O6 Inositol inositol  
1229 C6F6 hexafluorobenzene c6f6  
1230 S2F10 disulphur decafluoride s2f10  
1231 C13H10 Fluorene fluorene  
1232 C14H10 Anthracene anth  
1233 C14H10 Phenanthrene phenanthrene  
1234 C12H10N2 azobenzene azobenzene  
1235 C16H10 Pyrene pyrene  
1236 C18H12 Tetracene tetracene  
1237 C19H16 Triphenylmethane tpm  
1238 C24H12 Coronene coronene  
1239 C60 Buckminsterfullerene c60