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List of which calculations are completed at QCISD(T)=FULL /cc-pVQZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 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 anion 1SKh
12 LiH Lithium Hydride 1ΣC∞v
13 LiH+ lithium hydride cation 2ΣC∞v
14 BeH beryllium monohydride 2ΣC∞v
15 MgH magnesium monohydride 2ΣC∞v
16 TiH Titanium monohydride 4ΦC∞v
17 ZnH+ Zinc, protonated   
18 BeH2+ Beryllium dihydride cation   
19 MgH2 magnesium dihydride 1ΣgD∞h
20 Al Aluminum atom 2PKh
21 Al- Aluminum atom anion 3PKh
22 Al- Aluminum atom anion 1DKh
23 Al+ Aluminum atom cation 1SKh
24 Sc Scandium atom 2DKh
25 Sc+ Scandium cation 3DKh
26 Ga Gallium atom 2P 
27 Ga- Gallium atom anion 3POh
28 Ga+ Gallium atom cation 1S 
29 BH Boron monohydride 1ΣC∞v
30 BH Boron monohydride 3ΠC∞v
31 ScH Scandium monohydride 1ΣC∞v
32 GaH Gallium monohydride 1ΣC∞v
33 GaH+ Gallium monohydride cation 2ΣC∞v
34 BH3+ boron trihydride cation 2B2C2v
35 BH3+ boron trihydride cation  C2v
36 AlH3 aluminum trihydride 1A1'D3h
37 AlH3- aluminum trihydride anion  C3v
38 ScH3 Scandium trihydride 1A1'D3h
39 ScH3 Scandium trihydride 1A1C3v
40 BH4 borohydride 2B2C2v
41 BH4- borohydride anion 1A1Td
42 C Carbon atom 3P0Kh
43 C- Carbon atom anion 4SKh
44 C- Carbon atom anion 2DKh
45 Si- Silicon atom anion 4SKh
46 Ge Germanium atom 3PKh
47 Ge- Germanium anion 4SKh
48 Ge+ Germanium cation 2PKh
49 CH Methylidyne 2Π1/2C∞v
50 SiH Silylidyne 2ΠC∞v
51 SiH+ silicon monohydride cation 1ΣC∞v
52 GeH germylidene 2ΠC∞v
53 GeH+ Germaniun monohyrdide cation 1ΣC∞v
54 CH2 Methylene 3B1C2v
55 CH2 Methylene 3ΣGD∞h
56 CH2 Methylene 1A1C2v
57 CH2- methylene anion 2B1C2v
58 CH2+ methylene cation 2A1C2v
59 CH2+ methylene cation 2ΠD∞h
60 GeH2 germylene 1A1C2v
61 CH3 Methyl radical 2A1D3h
62 CH3- methyl anion 1A1C3v
63 CH3+ methyl cation 1A1'D3h
64 SiH3 Silyl radical 2A1C3v
65 SiH3+ Silyl cation 1A1'D3h
66 GeH3 Germyl radical 2A1C3v
67 GeH3+ germyl cation 1A1'D3h
68 CH4 Methane 1A1Td
69 CH4- Methane anion 2A1Td
70 SiH2D2 silane-d2   
71 SiH4 Silane 1A1Td
72 GeH4 Germane 1A1Td
73 SiH5+ Silane, protonated   
74 N Nitrogen atom 4SKh
75 P Phosphorus atom 4SKh
76 V Vanadium atom 4FKh
77 V+ Vanadium atom cation 5DKh
78 As Arsenic atomic 4SKh
79 As- Arsenic anion 3PKh
80 As+ Arsenic cation 3PKh
81 PH phosphorus monohydride 3Σ-C∞v
82 AsH Arsenic monohydride 3ΣC∞v
83 NH2 Amino radical 2B1C2v
84 NH2+ Amino cation 3B1C2v
85 NH2+ Amino cation 1A1C2v
86 NH3 Ammonia 1A1C3v
87 NH3- Ammonia anion 2A1C3v
88 NH3+ ammonia cation 2A2"D3h
89 PH3 Phosphine 1A1C3v
90 PH3+ Phosphine cation 2A1C3v
91 AsH3 Arsine 1A1C3v
92 AsH3+ Arsine cation 2A1C3v
93 AsH4+ Arsonium   
94 NH4 Ammonium radical   
95 NH4+ ammonium cation 1A1Td
96 PH4 Phosphoranyl radical   
97 PH4+ phosphonium cation   
98 O Oxygen atom 3SKh
99 S Sulfur atom 3PKh
100 S Sulfur atom   
101 S- Sulfur atom anion 2PKh
102 S+ Sulfur atom cation 4SKh
103 Se Selenium atom 3PKh
104 Se- Selenium atom anion 2PKh
105 Se+ Selenium atom cation 4SKh
106 OH Hydroxyl radical 2ΠC∞v
107 OH- hydroxide anion 1ΣC∞v
108 OH+ hydoxyl cation 3ΣC∞v
109 HS Mercapto radical 2ΠC∞v
110 HS- mercapto anion 1ΣC∞v
111 HS+ sulfur monohydride cation 3ΣC∞v
112 CrH+ Chromium hydride cation 5ΣC∞v
113 HSe Selenium monohydride 2ΠC∞v
114 HSe- selenium monohydride anion 1ΣC∞v
115 HSe+ selenium monohydride cation 3ΣC∞v
116 H2O Water 1A1C2v
117 H2O- water anion 2A1C2v
118 H2O- water anion 2A'Cs
119 H2O+ water cation 2B1C2v
120 HDO Water-d1 1A1C2v
121 H2S Hydrogen sulfide 1A1C2v
122 H2S+ Hydrogen sulfide cation 2B1C2v
123 H2Se Hydrogen selenide 1A1C2v
124 H2Se+ Hydrogen selenide cation 2B1C2v
125 H3O+ hydronium cation 1A1C3v
126 H3S+ Sulfonium cation 1A1C3v
127 H3Se+ Hydrogen Selenide, protonated 1A1C3v
128 F Fluorine atom 2PKh
129 F- Fluorine atom anion 1SKh
130 F+ Fluorine atom cation 3SKh
131 F+ Fluorine atom cation 1DKh
132 Cl Chlorine atom 2PKh
133 Cl- Chlorine atom anion 1SKh
134 Cl+ Chlorine atom cation 3PKh
135 Cl+ Chlorine atom cation 1DKh
136 Br Bromine atom 2PKh
137 Br- Bromine atom anion 1SKh
138 Br+ Bromine atom cation 3PKh
139 HF Hydrogen fluoride 1ΣC∞v
140 HF- hydrogen fluoride anion 2ΣC∞v
141 HF+ hydrogen fluoride cation 2ΠC∞v
142 HCl Hydrogen chloride 1ΣC∞v
143 HCl- hydrogen chloride anion 2ΣC∞v
144 HCl+ hydrogen chloride cation 2ΠC∞v
145 HBr hydrogen bromide 1ΣC∞v
146 HBr- hydrogen bromide anion 2ΣC∞v
147 HBr+ hydrogen bromide cation 2ΠC∞v
148 H2Cl+ dihydrogen monochloride cation 1A1C2v
149 H2Br+ protonated hydrogen bromide 2A1C2v
150 Ne Neon atom 1SKh
151 Ne Neon atom   
152 Kr Krypton atom 1SKh
153 Kr+ Krypton cation 2PKh
154 HeLi+ Helium Lithium cation   
155 ArH+ Argon hydride cation 1ΣC∞v
156 KrH+ Protonated Krypton 1ΣC∞v
157 H2Ar H2 Ar dimer 1ΣC∞v
158 Li2+ lithium diatomic cation 2ΣgD∞h
159 NaLi lithium sodium 1ΣC∞v
160 Na2 Sodium diatomic 1ΣgD∞h
161 Na2- sodium diatomic anion 2ΣuD∞h
162 Na2+ sodium diatomic cation 2ΣgD∞h
163 BeMg Beryllium Magnesium 1ΣC∞v
164 LiB Lithium boride 3ΠC∞v
165 LiAl Lithium Aluminum   
166 NaAl Sodium aluminum 1ΣC∞v
167 BeB Beryllium monoboride 2ΠC∞v
168 B2 Boron diatomic 1ΣgD∞h
169 B2+ Boron diatomic cation 2ΠD∞h
170 BAl Boron Aluminum 3ΣC∞v
171 BGa Boron Gallium 3ΣC∞v
172 AlGa Aluminum Gallium 3ΣC∞v
173 AlGa Aluminum Gallium 1ΣC∞v
174 Ga2 Gallium diatomic 3Piu 
175 HBBH Diborane(2) 3ΣGD∞h
176 B2H4 Diborane(4) D2d 1A1D2d
177 HBHHBH Diborane(4) C2V 1A1C2v
178 B2H6 Diborane 1AgD2h
179 B2H6+ Diborane cation   
180 Ga2H6 digallane 1AGD2h
181 BeC Beryllium Carbide 3Σ-C∞v
182 BeC Beryllium Carbide   
183 CaC Calcium monocarbide   
184 AlC Aluminum carbide 4ΣC∞v
185 BSi Boron silicide 4ΣC∞v
186 BSi Boron silicide 2ΣC∞v
187 C2 Carbon diatomic 1Σg+D∞h
188 C2 Carbon diatomic 3Σg- 
189 C2+ carbon diatomic cation 4ΣgD∞h
190 GeC Germanium monocarbide 1ΣC∞v
191 SiGe Silicon Germanium   
192 C2H Ethynyl radical 2ΣC∞v
193 C2H- Ethynyl anion 1ΣC∞v
194 C2H2+ acetylene cation 2ΠuD∞h
195 C2H2+ acetylene cation   
196 H2CC- vinylidene anion   
197 HCCH- acetylene anion   
198 HCCH- acetylene anion   
199 Si2H2 disilyne   
200 Si2H2 disilyne   
201 Si2H2 disilyne   
202 Si2H2 disilyne   
203 CH3Li methyl lithium 1A1C3v
204 CH2BH methyleneborane 1A1C2v
205 C2H3 vinyl 2A'Cs
206 C2H3- vinyl anion 1A'Cs
207 C2H3+ vinyl cation 1A1C2V bridging H
208 C2H3+ vinyl cation 1A1C2V HCCH2
209 C2H4- Ethylene anion 2AgC2h
210 C2H4+ Ethylene cation 2B3D2
211 Si2H4 Disilene   
212 Si2H4 Disilene   
213 Si2H4 Disilene   
214 CH3BH2 methylborane 1A'Cs
215 C2H5 Ethyl radical 2A'Cs
216 C2H6 Ethane 1A1gD3d
217 CH3SiH3 methyl silane 1A1C3
218 Si2H6 disilane 1EuD3d
219 LiN Lithium Nitride 3ΣC∞v
220 LiP Lithium monophosphide   
221 LiP Lithium monophosphide   
222 BeN+ Beryllium mononitride cation 3ΣC∞v
223 BeN+ Beryllium mononitride cation 1ΣC∞v
224 MgN Magnesium Nitride   
225 MgN Magnesium Nitride   
226 BP Boron monophosphide 3ΠC∞v
227 BP Boron monophosphide 1ΣC∞v
228 AlP Aluminum monophosphide 3ΣC∞v
229 AlP Aluminum monophosphide 3ΠC∞v
230 AlP Aluminum monophosphide 1ΣC∞v
231 GaP Gallium monophosphide 3ΣC∞v
232 GaP Gallium monophosphide 1ΣC∞v
233 GaAs Gallium arsenide 3Π 
234 GaAs Gallium arsenide 1Σ 
235 BN boron nitride 3ΠC∞v
236 BN boron nitride 1ΣC∞v
237 CN Cyano radical 2ΣC∞v
238 CN- cyanide anion 1ΣC∞v
239 SiP Silicon monophosphide 2ΠC∞v
240 N2 Nitrogen diatomic 1ΣgD∞h
241 N2 Nitrogen diatomic   
242 N2- nitrogen diatomic anion 2ΠgD∞h
243 N2+ diatomic nitrogen cation 2ΣgD∞h
244 PN Phosphorus mononitride 1ΣC∞v
245 HCN Hydrogen cyanide 1ΣC∞v
246 HCN+ hydrogen cyanide cation 2ΠC∞v
247 HNC+ hydrogen isocyanide cation   
248 HCP+ Phosphaethyne cation   
249 NNH+ Dinitrogen monohydride cation 1ΣC∞v
250 LiNH2 lithium amide   
251 HBNH Boranimine 1ΣC∞v
252 H2NN Isodiazene   
253 N2H2 (E)-diazene 1AgC2h
254 N2H2 (Z)-Diazene 1A1C2v
255 N2H2+ trans-diazene cation 2AGC2h
256 CH2NH Methanimine 1A'Cs
257 CH2NH+ Methanimine cation   
258 CHNH2 aminomethylene   
259 CHNH2+ Aminocarbene cation   
260 BH2NH2 Boranamine   
261 CH2NH2+ methyleneamine cation 1A1C2v
262 N2H4 Hydrazine 1AC2
263 N2H4+ hydrazine cation 2AGC2h
264 CH3NH2 methyl amine 1A'Cs
265 CH3NH2+ methyl amine cation 2A'Cs
266 SiH3NH2 Silane, amino   
267 N2H5+ protonated hydrazine 1A'Cs
268 BH3PH3 borane phosphine   
269 BH3NH3 borane ammonia 1A1C3v
270 CH3NH3 methyl ammonium radical 2A1C3v
271 CH3PH3+ methyl phosphine, protonated 1A1C3v
272 N2H7+ ammonia ammonium dimer   
273 LiO lithium oxide 2ΣC∞v
274 LiS Lithium monosulfide 2ΠC∞v
275 LiS+ Lithium sulfide cation 3ΣC∞v
276 NaO sodium monoxide 2ΣC∞v
277 NaS Sodium sulfide 2ΠC∞v
278 LiSe Lithium monoselenide   
279 CaO Calcium monoxide 1ΣC∞v
280 BO boron monoxide 2ΣC∞v
281 ScO Scandium monoxide 2ΣC∞v
282 GaO Gallium monoxide 2ΣC∞v
283 GaS Gallium monosulfide   
284 CO Carbon monoxide 1ΣC∞v
285 CO- carbon monoxide anion 2ΠC∞v
286 CO+ carbon monoxide cation 2ΣC∞v
287 SiO Silicon monoxide 1ΣC∞v
288 SiS silicon monosulfide 1ΣC∞v
289 TiO Titanium monoxide 3ΔC∞v
290 CSe Carbon monoselenide 1ΣC∞v
291 GeO Germanium monoxide 1ΣC∞v
292 GeO+ Germanium monoxide cation 2ΣC∞v
293 GeS Germanium monosulfide 1ΣC∞v
294 SiSe Silicon Monoselenide   
295 SiSe+ Silicon Monoselenide cation   
296 GeSe Germanium monoselenide   
297 NO Nitric oxide 2ΠC∞v
298 NO- nitric oxide anion 3ΣC∞v
299 NO+ nitric oxide cation 1ΣC∞v
300 NS Mononitrogen monosulfide 2ΠC∞v
301 PO Phosphorus monoxide 2ΠC∞v
302 PS phosphorus sulfide 2ΣC∞v
303 VO Vanadium monoxide 4Σ- 
304 NSe Nitrogen monoselenide 2ΠC∞v
305 AsS Arsenic monosulfide 2ΠC∞v
306 PSe Phosphorus monoselenide 2ΠC∞v
307 AsSe Arsenic monoselenide 2ΠC∞v
308 O2 Oxygen diatomic 3ΣgD∞h
309 O2- oxygen diatomic anion 2ΠD∞h
310 O2-- dioxygen dianion   
311 SO Sulfur monoxide 3ΣC∞v
312 SO Sulfur monoxide 1ΣC∞v
313 SO+ sulfur monoxide cation 2ΠC∞v
314 S2 Sulfur diatomic 3ΣgD∞h
315 SeO Selenium monoxide 3ΣC∞v
316 Se2 Selenium diatomic 3ΣgD∞h
317 LiOH lithium hydroxide 1ΣC∞v
318 BeOH beryllium monohydroxide 2A'Cs
319 BeOH beryllium monohydroxide 2ΣC∞v
320 HBO Boron hydride oxide 1ΣC∞v
321 HBS hydrogen boron sulfide 1ΣC∞v
322 COH Hydroxymethylidyne   
323 COH+ Carbon Monoxide, protonated 1ΣC∞v
324 HCO Formyl radical 2A'Cs
325 HCO- formyl anion 1A'Cs
326 HCO+ Formyl cation 1ΣC∞v
327 HNO Nitrosyl hydride 1A'Cs
328 HNO+ Nitrosyl hydride cation 2A'Cs
329 NOH Hydroxyimidogen 3A"Cs
330 NOH+ O-protonated nitric oxide 2A'Cs
331 HO2 Hydroperoxy radical 2A"Cs
332 HO2+ Hydroperoxy cation 3A"Cs
333 HSO+ Sulfur Monoxide, S-protonated   
334 SOH Sulfur Hydroxide   
335 SOH+ Sulfur Monoxide, protonated   
336 H2CO- formaldehyde anion 2A'Cs
337 H2CO- formaldehyde anion   
338 H2CO+ formaldehyde cation 2B2C2v
339 H2CS Thioformaldehyde 1A1C2v
340 H2CS- thioformaldehyde anion   
341 H2CS- thioformaldehyde anion   
342 H2CS+ thioformaldehyde cation 2B2C2v
343 H2CSe Selenoformaldehyde   
344 H2NO nitroxide 2B1C2v
345 H2NO nitroxide 2A'Cs
346 H2O2 Hydrogen peroxide 1AC2
347 H2O2 Hydrogen peroxide 1AgC2h
348 H2OO water oxide   
349 HOSH hydrogen thioperoxide   
350 H2S2 Disulfane 1AC2
351 H2S2+ hydrogen disulfide cation 2BgC2h
352 H2Se2 hydrogen diselenide   
353 CH2OH Hydroxymethyl radical 2AC1
354 CH2OH+ hydroxymethyl cation 1A'Cs
355 CH3O- methoxy anion 1A1C3v
356 CH3O+ Methoxy cation 3A1C3v
357 H2CSH+ Thioformaldehyde, protonated 1A'Cs
358 NH2OH hydroxylamine 1A'Cs
359 NH2OH+ Hydroxylamine cation   
360 CH3OH Methyl alcohol 1A'Cs
361 CH3OH- Methyl alcohol anion 2A'Cs
362 CH3OH- Methyl alcohol anion 2A'CS eclipsed
363 CH3OH+ Methyl alcohol cation 2A"Cs
364 CH3SH Methanethiol 1A'Cs
365 CH3SH+ Methanethiol cation 2A"Cs
366 SiH3OH silanol   
367 NH2OH2+ protonated hydroxylamine   
368 NH3OH+ N-protonated hydroxylamine   
369 H2OH2O water dimer 1A'Cs
370 H5O2+ Dihydroxonium ion 1AC2
371 LiF lithium fluoride 1ΣC∞v
372 LiCl lithium chloride 1ΣC∞v
373 NaF sodium fluoride 1ΣC∞v
374 NaF+ sodium fluoride cation 2ΣC∞v
375 NaCl Sodium Chloride 1ΣC∞v
376 NaCl+ sodium chloride cation 2ΠC∞v
377 LiBr Lithium Bromide 1ΣC∞v
378 LiF+ lithium fluoride cation 2ΠC∞v
379 MgF+ magnesium fluoride cation 1ΣC∞v
380 ZnF Zinc monofluoride 2ΣC∞v
381 CaBr Calcium monobromide   
382 BF Boron monofluoride 1ΣC∞v
383 AlF Aluminum monofluoride 1Σ+C∞v
384 ScF Scandium monofluoride 1ΣC∞v
385 GaF Gallium monofluoride 1ΣC∞v
386 GaF+ Gallium monofluoride cation 2ΣC∞v
387 AlBr Aluminum monobromide   
388 GaCl Gallium monochloride 1ΣGC∞v
389 GaCl+ Gallium monochloride cation 2ΣC∞v
390 GaBr Gallium monobromide   
391 CF Fluoromethylidyne 2ΠC∞v
392 SiF silicon monofluoride 2ΠC∞v
393 SiF+ silicon monofluoride cation 1ΣC∞v
394 SiCl Clorosilylidyne 2ΠC∞v
395 CBr Carbon monobromide 2ΠC∞v
396 GeF Germanium monofluoride 2ΠC∞v
397 GeF+ Germanium monofluoride cation 1ΣC∞v
398 GeCl Germanium monochloride 2ΠC∞v
399 GeCl+ Germanium monochloride cation   
400 SiBr+ Silicon monobromide cation   
401 NCl nitrogen monochloride 3ΣC∞v
402 AsF Arsenic monofluoride 3ΣC∞v
403 AsCl Arsenic monochloride 3ΣC∞v
404 PBr Phosphorus monobromide   
405 FO Oxygen monofluoride 2ΠC∞v
406 ClO Monochlorine monoxide 2ΠC∞v
407 ClO+ chlorine monoxide cation 3ΣC∞v
408 SF Monosulfur monofluoride 2ΠC∞v
409 SF+ sulfur monofluoride cation 3ΣC∞v
410 SCl+ sulfur monochloride cation 3ΣgC∞v
411 BrO Bromine monoxide 2ΠC∞v
412 BrO+ Bromine monoxide cation   
413 SeF Selenium monofluoride 2ΠC∞v
414 SBr Sulfur monobromide radical   
415 SBr+ Sulfur monobromide cation   
416 SeCl Selenium monochloride 2ΠC∞v
417 SeBr Selenium monobromide   
418 BrCl Bromine monochloride 1ΣC∞v
419 F2 Fluorine diatomic 1ΣgD∞h
420 F2- flourine diatomic anion 2ΣuD∞h
421 F2+ flourine diatomic cation 2ΠgD∞h
422 ClF Chlorine monofluoride 1Σ+C∞v
423 ClF+ clorine monofluoride cation 2ΠC∞v
424 Cl2 Chlorine diatomic 1ΣgD∞h
425 Cl2+ chlorine diatomic cation 2ΠgD∞h
426 BrF Bromine monofluoride 1ΣC∞v
427 Br2 Bromine diatomic 1ΣgD∞h
428 Br2- bromine diatomic anion 2ΣuD∞h
429 Br2+ bromine diatomic cation 2ΠgD∞h
430 HCF Fluoromethylene 1A'Cs
431 HCF Fluoromethylene 3A"Cs
432 HSiF fluorosilylene   
433 HSiCl Chlorosilylene   
434 HSiBr monobromosilylene   
435 HOF Hypofluorous acid 1A'Cs
436 HOCl hypochlorous acid 1A'Cs
437 HOCl+ hypochlorous acid cation   
438 F2H+ Fluorine, protonated 1A'Cs
439 ClFH+ Chlorine fluoride, F-protonated   
440 FClH+ Chlorine fluoride, Cl-protonated   
441 Cl2H+ Chlorine, protonated 1A'Cs
442 CH2Br bromomethyl radical   
443 CH2F fluoromethyl radical 2ACs
444 CH2F+ fluoromethyl cation   
445 CH2Cl+ chloromethyl cation   
446 CH2Cl chloromethyl radical 2A'Cs
447 CH2Cl chloromethyl radical 2B1C2v
448 NH2Cl chloramine 1A'Cs
449 CH3F+ methyl fluoride cation   
450 CH3F Methyl fluoride 1A1C3v
451 CH3Cl Methyl chloride 1A1C3v
452 CH3Cl+ Methyl chloride cation   
453 SiH3F monofluorosilane 1A1C3v
454 SiH3Cl chlorosilane 1A1C1
455 CH3Br methyl bromide 1A1C3v
456 GeH3F monofluorogermane   
457 GeH3Cl monochlorogermane   
458 NH3Cl+ protonated monochloroammonia   
459 CH3ClH+ methyl chloride, protonated   
460 NH4Cl Ammonium chloride   
461 LiNe+ Lithium Neon cation   
462 Ne2+ Neon diatomic cation 2ΣuD∞h
463 Ar2 Argon diatomic 1SgD∞h
464 Ar2+ Argon diatomic cation 2ΣuD∞h
465 Li3 Lithium trimer 2B2C2v
466 Li3+ Lithium trimer cation 1A1'D3h
467 C3 carbon trimer 1ΣgD∞h
468 C3 carbon trimer 1A1C2v
469 C3+ carbon trimer cation 2B2C2v
470 SiC2 Silicon dicarbide   
471 C3H4 cyclopropene 1A1C2v
472 CH2CCH2 allene 1A1D2d
473 CH3CCH propyne 1A'C3v
474 CH2CHCH3 Propene 1A'Cs
475 C3H7 n-Propyl radical 2A"C1
476 C3H7+ cyclopropane, protonated   
477 CH3CHCH3 Isopropyl radical 2AC2
478 CH3CHCH3+ Isopropyl cation 1AC2
479 C3H8 Propane 1A1C2v
480 Si3H8 trisilane   
481 LiCN lithium cyanide 1ΣC*V LiCN
482 LiCN lithium cyanide 1A'Cs
483 NaCN Sodium Cyanide 1ΣC∞v
484 NaCN Sodium Cyanide 1ACs
485 CuCN Copper cyanide 1ΣC∞v
486 CuCN Copper cyanide 3ΠCs
487 ZnCN Zinc monocyanide 2ΣC∞v
488 ZnNC Zinc isocyanide 2ΣC∞v
489 AlCN Aluminum monocyanide   
490 AlNC Aluminum isocyanide   
491 CNN Diazocarbene   
492 N3 azide radical 2ΠgD∞h
493 N3+ azide cation 3ΣgD∞h
494 N3+ azide cation 3ΣC∞v
495 HCCN cyanomethylene 3ΣC∞v
496 HN3 hydrogen azide 1A'Cs
497 HN3+ Hydrazoic acid cation   
498 HNCNH diiminomethane 1AC2
499 HNNNH+ 1,2-Triazadienium   
500 NH2NN+ hydrazoic acid, protonated   
501 CH3CN Acetonitrile 1A1C3v
502 HCNCH2+ 2H-Azirine cation   
503 HNCNH2+ diiminomethane, protonated 1A'Cs
504 NH2CNH+ cyanamide, cn protonated   
505 NH3CN+ cyanamide, amine protonated   
506 C2H6N+ aziridine, protonated 1A1C2v
507 CH3CH2NH2 Ethylamine   
508 Li2O dilithium oxide 1ΣgD∞h
509 Li2S dilithium sulfide 1ΣGD∞h
510 Li2S dilithium sulfide 1A1C2v
511 Na2O disodium monoxide 1ΣgLinear
512 Na2S Sodium sulfide   
513 Na2S Sodium sulfide   
514 LiO2 Lithium dioxide   
515 NaO2 Sodium superoxide   
516 CCO Dicarbon monoxide 3ΣC∞v
517 CCO Dicarbon monoxide 1ΠC∞v
518 NCO isocyanato radical 2ΠC∞v
519 N2O Nitrous oxide 1ΣC∞v
520 N2O- Nitrous oxide anion 2A'Cs
521 OCS Carbonyl sulfide 1ΣC∞v
522 CS2 Carbon disulfide 1ΣgD∞h
523 GeO2 Germanium dioxide 1ΣgD∞h
524 OCSe Carbonyl selenide 1ΣC∞v
525 SCSe Carbon sulfide selenide   
526 NO2 Nitrogen dioxide 2A1C2v
527 NO2+ Nitrogen dioxide cation 1ΣGD∞h
528 NSO sulfinyl amidogen   
529 SNO Nitrogen oxide sulfide   
530 O3 Ozone 1A1Cs
531 SO2 Sulfur dioxide 1A1C2v
532 SSO Disulfur monoxide 1A'Cs
533 S3 Sulfur trimer 1A1C2v
534 S3 Sulfur trimer   
535 S3+ Sulfur trimer cation 2B2C2v
536 SeO2 Selenium dioxide 1A1C2v
537 SeO2+ Selenium dioxide cation 2A1C2v
538 HCCO ketenyl radical 2ΠC∞v
539 HCCO ketenyl radical 2A"Cs
540 HOCO Hydrocarboxyl radical 1A'cis
541 HOCO Hydrocarboxyl radical 1A'trans
542 O3H+ protonated ozone 1A'Cs
543 O3H+ protonated ozone   
544 C2H2O Oxirene 1A1C2v
545 CH2CO Ketene 1A1C2v
546 CH2CS Thioketene   
547 Be(OH)2 Beryllium hydroxide   
548 NH2NO Nitrosamide 1AC1
549 H2COO Dioxymethyl radical 2A'Cs
550 H2COO+ dioxymethyl cation 2A'Cs
551 HCOOH Formic acid 1A'Cs
552 HCOOH Formic acid   
553 CH2BOH hydroxy(methylene)borane 1A'Cs
554 BH3CO Borane carbonyl 1A1C3v
555 CH3BO Borane, methyloxo- 1A1C3v
556 CH2COH+ ketene, protonated   
557 CNOH3 1,2-oxaziridine 1AC1
558 HOCHNH hydroxymethylimine 1A'CS H all up
559 NHCHSH Methanimidothioic acid   
560 C2H4O Ethylene oxide 1A1C2v
561 C2H4O+ ethylene oxide cation   
562 CH3CHO Acetaldehyde 1A'Cs
563 CH3CHO+ acetaldehyde cation   
564 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
565 C2H4S Thiirane 1A1C2v
566 CH2CHSH Ethenethiol   
567 NH2CHOH+ Formamide, O-protonated   
568 CH3SSH Hydrogen methyl disulfide   
569 HSCH2SH Methanedithiol   
570 C2H4OH+ ethylene oxide, protonated 1A'Cs
571 CH3CH2SH ethanethiol 1A'Cs
572 CH3CH2SH ethanethiol 1AC1
573 CH3SCH3 Dimethyl sulfide 1A1C2v
574 CH3SCH3+ dimethyl sulfide cation   
575 CNF iso cyanogen fluoride 1ΣC∞v
576 BrCN Cyanogen bromide 1ΣC∞v
577 FBO Boron monofluoride monoxide   
578 BeBr2 Beryllium bromide   
579 FCO Carbonyl fluoride 2A'Cs
580 FCO+ Carbonyl fluoride cation 1ΣC∞v
581 ClCO carbonyl monochloride 2A'Cs
582 BF2 Boron difluoride radical 2A1C2v
583 FNO Nitrosyl fluoride 1A'Cs
584 ClNO Nitrosyl chloride 1A'Cs
585 FNS Thionitrosyl fluoride 1A'Cs
586 FSN Thiazyl fluoride 1A'Cs
587 OPCl Phosphorus oxychloride   
588 CF2 Difluoromethylene 1A1D∞h
589 CFCl chlorofluoromethylene 1A'Cs
590 SiF2 Silicon difluoride 1A1C2v
591 GeCl2 Germanium dichloride 1A1C2v
592 FOO+ Fluorine dioxide cation   
593 OClO Chlorine dioxide 2B1D∞h
594 OClO- Chlorine dioxide anion 1A'Cs
595 ClSO Sulfur chloride oxide 2A"Cs
596 BrOO Bromine dioxide   
597 OBrO Bromine dioxide radical 2B1C2v
598 PF2 Phosphorus difluoride   
599 PF2+ Phosphorus difluoride cation   
600 FClO chlorosyl fluoride 1A'Cs
601 ClOF Chlorine hypofluorite 1A'Cs
602 SF2 sulfur difluoride 1A1C2v
603 SeF2 Selenium difluoride   
604 SeCl2 Selenium Dichloride   
605 SBr2 Sulfur dibromide   
606 SeBr2 Selenium dibromide   
607 Br3- tribromide anion   
608 SFCl Sulfur chloride fluoride   
609 HCCF Fluoroacetylene 1ΣC∞v
610 HFCO+ formyl fluoride cation 2A'Cs
611 CHF2 difluoromethyl radical 2ACs
612 CHF2+ difluoromethyl cation   
613 CHFCl Chlorofluoromethyl radical   
614 CHFCl+ Chlorofluoromethyl cation   
615 CHCl2+ dichloromethyl cation   
616 NHF2 difluoramine   
617 NHCl2 dichloroamine   
618 CH2F2 Methane, difluoro- 1A1C2v
619 SiH2F2 difluorosilane   
620 CH2Cl2 Methylene chloride 1A1C2v
621 CH2BrCl Methane, bromochloro- 1A'Cs
622 CH2Br2 dibromomethane 1A1C2v
623 CH3MgBr Methyl Magnesium Bromide   
624 CH2CHF Ethene, fluoro- 1A'Cs
625 CH2FOH fluoromethanol   
626 C2H5Br Ethyl bromide 1A'Cs
627 C4 Carbon tetramer 3ΣgD∞h
628 C4 Carbon tetramer   
629 C4H4 Tetrahedrane   
630 CH3CH2CH2CH3 Butane 1AgAnti
631 Li3N trilithium nitride 1A'D3h
632 C2N2 Cyanogen 1ΣgD∞h
633 HCCCN+ Cyanoacetylene cation 2ΠC∞v
634 H2CNCN cyanamide, methylene   
635 HNCCNH Ethenediimine   
636 C2H5CN ethyl cyanide 1A'Cs
637 C3O Tricarbon monoxide 1ΣC∞v
638 ONNO NO dimer 1Agtrans C2H
639 ONNO NO dimer 1A1cis C2V
640 S2N2 Disulfur dinitride 1AGD2h
641 NO3- nitrate anion 1A1'D3h
642 SO3 Sulfur trioxide 1A1'D3h
643 SO3-- Sulfate dianion   
644 S4 Sulfur tetramer   
645 S4 Sulfur tetramer   
646 S4 Sulfur tetramer   
647 C3H2O Propadienal   
648 C3H2O Propadienal   
649 C2H2O2 Ethanedial 1AgC2h
650 CH3NCO methylisocyante   
651 CH3NO2 Methane, nitro- 1A'Cs
652 H3AlO3 Aluminum hydroxide   
653 CH2CHCHO Acrolein 1A'Cs
654 NH2CONH2 Urea 1A1C2v
655 CH3COCH2 Acetonyl radical 2A"Cs
656 HCONHCH3 N-methylformamide 1A'CS trans
657 C3H7OH 1-Propanol   
658 Li2F2 Lithium fluoride dimer   
659 CF2O Carbonic difluoride 1A1C2v
660 CF2O+ Carbonic difluoride cation   
661 BF3+ boron trifluoride cation   
662 BCl3 Borane, trichloro- 1A1'D3h
663 BCl3+ Boron Trichloride cation   
664 GaF3 Gallium trifluoride 1A1'D3h
665 CF3- Trifluoromethyl anion 1A1C3v
666 CF2Cl difluorochloromethyl radical   
667 CFCl2 dichlorofluoromethyl radical   
668 ClO2F Chloryl fluoride 1A'Cs
669 SSCl2 Thiothionyl chloride   
670 NF3 Nitrogen trifluoride 1A1C3v
671 HClO3 Chloric Acid 1A'Cs
672 HClO3 Chloric Acid 1AC1
673 CHF3 Methane, trifluoro- 1A1C3v
674 SiHF3 trifluorosilane   
675 CHBrF2 Methane, bromodifluoro- 1A'Cs
676 AsF3H+ Arsenic trifluoride, protonated   
677 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
678 C2H4F2 1,2-difluoroethane 1AgC2H anti
679 C2H4F2 1,2-difluoroethane 1AC2 gauche
680 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
681 CH2CHCH2F Allyl Fluoride   
682 CH2CHCH2F Allyl Fluoride   
683 CH3CHCHF trans-1-Fluoro-1-propene   
684 CH3CHFCH3 2-Fluoropropane 1A'Cs
685 B5H9 pentaborane9   
686 C5H8 Bicyclo[1.1.1]pentane   
687 C3O2 Carbon suboxide 1ΣGD∞h
688 B2O3 diboron trioxide   
689 B2O3 diboron trioxide   
690 CF3Cl Methane, chlorotrifluoro- 1A1C3v
691 CF2Cl2 difluorodichloromethane 1A1C2v
692 SF4 Sulfur tetrafluoride 1A1C2v
693 CHCl2CCH 3,3-dichloropropyne   
694 C2H2N2O Furazan   
695 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
696 C3H2O3 vinylene carbonate   
697 C5H6O 2H-Pyran   
698 C4H6O2 γ–Butyrolactone 1AC1
699 C3H6O3 1,3,5-Trioxane 1A1C1
700 C7H7 cycloheptatrienyl radical 2A2C2v
701 SF6 Sulfur Hexafluoride 1A1GOh

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 li  
11 Li+ Lithium atom cation li+  
12 Na Sodium atom na  
13 Na- Sodium atom anion na-  
14 Na+ Sodium atom cation na+  
15 K Potassium atom k  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 LiH- lithium hydride anion lih-  
22 NaH sodium hydride nah  
23 NaH- sodium hydride anion nah-  
24 NaH+ sodium hydride cation nah+  
25 KH Potassium hydride kh  
26 KH+ Potassium hydrogen cation kh+  
27 CuH Copper monohydride cuh  
28 Be Beryllium atom be  
29 Be- Beryllium atom anion be-  
30 Be+ Beryllium atom cation be+  
31 Mg Magnesium atom mg  
32 Mg- Magnesium atom anion mg-  
33 Mg+ Magnesium atom cation mg+  
34 Ca Calcium atom ca  
35 Ca- Calcium atom anion ca-  
36 Ca+ Calcium atom cation ca+  
37 Zn Zinc atom zn  
38 Zn- Zinc atom anion zn-  
39 Zn+ Zinc atom cation zn+  
40 BeH- berylium monohydride anion beh-  
41 BeH+ beryllium monohydride cation beh+  
42 MgH- magnesium monohydride anion mgh-  
43 MgH+ magnesium monohydride cation mgh+  
44 CaH Calcium monohydride cah  
45 CaH+ Calcium monohydride cation cah+  
46 ZnH Zinc monohydride znh  
47 BeH2 beryllium dihydride beh2  
48 CaH2 Calcium Hydride cah2  
49 ZnH2 Zinc hydride znh2  
50 B Boron atom b  
51 B- Boron atom anion b-  
52 B+ Boron atom cation b+  
53 BH- boron monohydride anion bh-  
54 BH+ boron monohydride cation bh+  
55 AlH aluminum monohydride alh  
56 AlH- aluminum monohydride anion alh-  
57 AlH+ aluminum monohydride cation alh+  
58 ScH+ Scandium monohydride cation sch+  
59 BH2 boron dihydride bh2  
60 BH2- boron dihydride anion bh2-  
61 BH2+ Boron dihydride cation bh2+  
62 AlH2 aluminum dihydride alh2  
63 AlH2- aluminum dihydride anion alh2-  
64 AlH2+ aluminum dihydride cation alh2+  
65 BH3 boron trihydride bh3  
66 BH3- boron trihydride anion bh3-  
67 AlH3+ aluminum trihydride cation alh3+  
68 GaH3 Gallium trihydride gah3  
69 AlH4- Aluminum tetrahydride anion alh4-  
70 C+ Carbon atom cation c+  
71 Si Silicon atom si  
72 Si+ Silicon atom cation si+  
73 Ti Titanium atom ti  
74 Ti- Titanium atom anion ti-  
75 Ti+ Titanium atom cation ti+  
76 Sn Tin atom sn  
77 Sn+ Tin cation sn+  
78 CH- methylidyne anion ch-  
79 CH+ Methylidyne cation ch+  
80 SiH- silicon monohydride anion sih-  
81 SiH2 silicon dihydride sih2  
82 SiH2- silicon dihydride anion sih2-  
83 SiH2+ silicon dihydride cation sih2+  
84 GeH2- germylene anion geh2-  
85 SiH3- Silyl anion sih3-  
86 CD4 methane-d4 cd4  
87 CH2D2 methane-d2 ch2d2  
88 CH3D methane-d ch3d  
89 CH4+ Methane cation ch4+  
90 CHD3 methane-d3 chd3  
91 SiH4+ Silane cation sih4+  
92 SnH4 Stannane snh4  
93 N- Nitrogen atom anion n-  
94 N+ Nitrogen atom cation n+  
95 P- Phosphorus atom anion p-  
96 P+ Phosphorus atom cation p+  
97 Sb Antimony atom sb  
98 NH Imidogen nh  
99 NH- Imidogen anion nh-  
100 NH+ imidogen cation nh+  
101 PH- phosphorus monohydride anion ph-  
102 PH+ phosphorus monohydride cation ph+  
103 AsH+ Arsenic monohydride cation ash+  
104 SbH Antimony monohydride sbh  
105 ND2 Amidogen-d2 nd2  
106 NH2- amino anion nh2-  
107 PH2 Phosphino radical ph2  
108 PH2- Phosphino anion ph2-  
109 PH2+ Phosphino cation ph2+  
110 AsH2 Arsenic dihydride ash2  
111 AsH2+ Arsenic dihydride cation ash2+  
112 ND3 Ammonia-d3 nd3  
113 SbH3 Stibine sbh3  
114 O- Oxygen atom anion o-  
115 O+ Oxygen atom cation o+  
116 Cr Chromium atom cr  
117 Te Tellurium atom te  
118 Te+ Tellurium atom cation te+  
119 DO Hydroxyl-d od  
120 DS Mercapto-d ds  
121 TeH Telluryl radical teh  
122 D2O Deuterium oxide d2o  
123 D2S Hydrogen sulfide-d2 d2s  
124 H2S- Hydrogen sulfide anion h2s-  
125 H2Te Hydrogen Telluride h2te  
126 Mn Manganese atom mn  
127 I Iodine atom iodine  
128 I- Iodine atom anion iodine-  
129 I+ Iodine atom cation iodine+  
130 DF Hydrofluoric acid-d df  
131 DCl Hydrochloric acid-d dcl  
132 HI Hydrogen iodide hi  
133 HI+ Hydrogen iodide cation hi+  
134 H2F+ dihydrogen fluoride cation h2f+  
135 H2I+ Iodonium h2i+  
136 Ne- Neon atom anion ne-  
137 Ne+ Neon atom cation ne+  
138 Ar Argon atom ar  
139 Ar- Argon atom anion ar-  
140 Ar+ Argon atom cation ar+  
141 Fe Iron atom fe  
142 Xe Xenon atom xe  
143 NeH neon hydrogen neh  
144 NeH+ neon hydrogen cation neh+  
145 XeH+ Xenon, protonated xeh+  
146 Co Cobalt atom cobalt  
147 Ni Nickel atom ni  
148 Li2 Lithium diatomic li2  
149 Li2- lithium diatomic anion li2-  
150 NaLi- lithium sodium anion lina-  
151 NaLi+ lithium sodium cation lina+  
152 LiK Lithium Potassium lik  
153 NaK Sodium Potassium nak  
154 NaK+ Sodium Potassium diatomic cation nak+  
155 K2 Potassium diatomic k2  
156 Cu2 Copper diatomic cu2  
157 LiBe Lithium Beryllium libe  
158 LiMg Lithium magnesium limg  
159 NaBe Sodium Beryllium nabe  
160 NaMg Sodium Magnesium namg  
161 Be2 Beryllium diatomic be2  
162 Be2- Beryllium diatomic anion be2-  
163 Be2+ Beryllium diatomic cation be2+  
164 Mg2 Magnesium diatomic mg2  
165 Mg2- magnesium diatomic anion mg2-  
166 Mg2+ magnesium diatomic cation mg2+  
167 Ca2 Calcium diatomic ca2  
168 B2 Boron diatomic b2  
169 B2- Boron diatomic anion b2-  
170 Al2 Aluminum diatomic al2  
171 Al2- aluminum diatomic anion al2-  
172 Al2+ aluminum diatomic cation al2+  
173 LiBH4 Lithium borohydride libh4  
174 Al2H6 dialane al2h6  
175 LiC Lithium Carbide lic  
176 BC boron monocarbide bc  
177 BC- boron monocarbide anion bc-  
178 BC+ boron monocarbide cation bc+  
179 C2- carbon diatomic anion c2-  
180 SiC silicon monocarbide sic  
181 SiC- silicon monocarbide anion sic-  
182 SiC+ silicon monocarbide cation sic+  
183 Si2 Silicon diatomic si2  
184 Si2- silcon diatomic anion si2-  
185 Si2+ silcon diatomic cation si2+  
186 Ge2 Germanium diatomic ge2  
187 C2H+ Ethynyl cation c2h+  
188 ZnCH2 Zinc methylene znch2  
189 C2H2 Acetylene c2h2  
190 CCH2 vinylidene vinylidene  
191 CuCH3 monomethyl copper cuch3  
192 ZnCH3 Zinc monomethyl znch3  
193 C2H4 Ethylene c2h4  
194 CH3CH methylmethylene ch3ch  
195 CH2SiH2 silaethylene ch2sih2  
196 C2H5- Ethyl anion c2h5-  
197 C2H5+ Ethyl cation c2h5+  
198 C2H6+ ethane cation c2h6+  
199 GeH3CH3 methyl germane geh3ch3  
200 C2H7+ Ethane, protonated c2h7+  
201 LiN+ Lithium Nitride cation lin+  
202 BeN Beryllium mononitride ben  
203 BeN- Beryllium mononitride anion ben-  
204 BN- boron nitride anion bn-  
205 AlN- aluminum mononitride anion aln-  
206 AlN+ aluminum mononitride cation aln+  
207 GaN Gallium mononitride gan  
208 BN+ boron nitride cation bn+  
209 AlN Aluminum nitride aln  
210 CN+ Cyano cation cn+  
211 CP Carbon monophosphide cp  
212 CP- carbon monophosphide anion cp-  
213 CP+ carbon monophosphide cation cp+  
214 SiN Silicon nitride sin  
215 SiN- silicon mononitride anion sin-  
216 SiN+ silicon mononitride cation sin+  
217 SiP- Silicon monophosphide anion sip-  
218 SiP+ Silicon monophosphide cation sip+  
219 TiN Titanium mononitride tin  
220 PN- phosphorus nitride anion pn-  
221 PN+ phosphorus nitride cation pn+  
222 P2 Phosphorus diatomic p2  
223 P2- phosphorus diatomic anion p2-  
224 P2+ phosphorus diatomic cation p2+  
225 AsN Arsenic mononitride asn  
226 AsP Arsenic monophosphide asp  
227 SbN Antimony nitride sbn  
228 As2 Arsenic diatomic as2  
229 HNB hydrogen nitrogen boron hnb  
230 HNC hydrogen isocyanide hnc  
231 HCN- Hydrogen cyanide anion hcn-  
232 HCP Phosphaethyne hcp  
233 NNH Dinitrogen monohydride nnh  
234 HPO Hydrogen phosphorus oxide hpo  
235 HPO+ Hydrogen phosphorus oxide cation hpo+  
236 CNH2 Aminomethylidyne radical cnh2  
237 CNH2+ N-protonated hydrogen isocyanide cnh2+  
238 H2CN Dihydrogen cyanide radical h2cn  
239 H2CN+ hydrocyanonium cation h2cn+  
240 HCNH methyleneazane hcnh  
241 HCNH+ N-protonated HCN hcnh+  
242 CH2PH Phosphaethene ch3p  
243 P2H4 Diphosphine p2h4  
244 CH3PH2 Methyl phosphine ch3ph2  
245 CH3NH3+ protonated methylamine ch3nh3+  
246 NH3NH3 Ammonia Dimer nh3nh3  
247 LiO- lithium oxide anion lio-  
248 LiO+ lithium oxide cation lio+  
249 NaO- sodium oxide anion nao-  
250 NaO+ sodium oxide cation nao+  
251 KO Potassium monoxide ko  
252 KO+ Potassium monoxide cation ko+  
253 CuO Copper Monoxide cuo  
254 BeO beryllium oxide beo  
255 BeO- Beryllium monoxide anion beo-  
256 BeO+ Beryllium monoxide cation beo+  
257 BeS beryllium sulfide bes  
258 MgO magnesium oxide mgo  
259 MgO- magnesium oxide anion mgo-  
260 MgO+ magnesium oxide cation mgo+  
261 MgS magnesium sulfide mgs  
262 MgS- magnesium sulfide anion mgs-  
263 MgS+ magnesium sulfide cation mgs+  
264 CaS Calcium sulfide cas  
265 ZnO zinc monoxide zno  
266 ZnS Zinc sulfide zns  
267 BeS- Beryllium monosulfide anion bes-  
268 BeS+ Beryllium monosulfide cation bes+  
269 BO- boron monoxide anion bo-  
270 AlO Aluminum monoxide alo  
271 AlO- Aluminum monoxide anion alo-  
272 AlO+ aluminum monoxide cation alo+  
273 BS boron sulfide bs  
274 BS- boron monosulfide anion bs-  
275 BS+ boron monosulfide cation bs+  
276 AlS Aluminum sulfide als  
277 AlS- aluminum monosulfide anion als-  
278 AlS+ aluminum monosulfide cation als+  
279 BO+ boron monoxide cation bo+  
280 CS carbon monosulfide cs  
281 CS- carbon monosulfide anion cs-  
282 CS+ carbon monosulfide cation cs+  
283 SiO- silicon monoxide anion sio-  
284 SiO+ silicon monoxide cation sio+  
285 SiS- silicon monosulfide anion sis-  
286 SiS+ silicon monosulfide cation sis+  
287 CSe- Carbon monoselenide anion cse-  
288 CSe+ Carbon monoselenide cation cse+  
289 NS- nitrogen sulfide anion ns-  
290 NS+ nitrogen sulfide cation ns+  
291 PO- phosphorus monoxide anion po-  
292 PO+ phosphorus monoxide cation po+  
293 PS- phosphorus monosulfide anion ps-  
294 PS+ phosphorus monosulfide cation ps+  
295 AsO Arsenic monoxide aso  
296 O2+ diatomic oxygen cation o2+  
297 SO- sulfur monoxide anion so-  
298 S2- sulfur diatomic anion s2-  
299 S2+ sulfur diatomic cation s2+  
300 SeO- selenium monoxide anion seo-  
301 SeO+ selenium monoxide cation seo+  
302 SeS Selenium monosulfide ses  
303 SeS- selenium monosulfide anion ses-  
304 SeS+ selenium monosulfide cation ses+  
305 TeO Tellurium monoxide teo  
306 Se2- selenium diatomic anion se2-  
307 Se2+ selenium diatomic cation se2+  
308 Te2 Tellurium diatomic te2  
309 NaOH sodium hydroxide naoh  
310 KOH Potassium hydroxide koh  
311 MgOH magnesium hydroxide mgoh  
312 CaOH Calcium monohydroxide caoh  
313 HCS Thioformyl radical hcs  
314 HCS- Thioformyl anion hcs-  
315 HCS+ Thioformyl cation hcs+  
316 HNO- Nitrosyl hydride anion hno-  
317 HNS Sulfur imide hns  
318 HNS- Sulfur imide anion hns-  
319 HO2- Hydroperoxy anion ho2-  
320 HS2 Thiosulfeno radical hs2  
321 H2CO Formaldehyde h2co  
322 HOCH hydroxycarbene hoch  
323 H2O2+ Hydrogen peroxide cation h2o2+  
324 CH3O Methoxy radical ch3o  
325 CH3S thiomethoxy ch3s  
326 NH3O Ammonia Oxide nh3o  
327 H2POH Phosphinous acid h2poh  
328 H3PO Phosphine oxide h3po  
329 NH2SH Thiohydroxylamine nh2sh  
330 NH3S sulfidoazane nh3s  
331 H3O2+ hydrogen peroxide, protonated h3o2+  
332 CH3SeH Methane selenol ch3seh  
333 CH3OH2+ Methanol, protonated ch3oh2+  
334 CH3SH2+ protonated methylsulfide ch3sh2+  
335 H2ONH3 Water Ammonia Dimer h2onh3  
336 LiCl- lithium chloride anion licl-  
337 LiCl+ lithium chloride cation licl+  
338 NaF- sodium fluoride anion naf-  
339 KF Potassium Fluoride kf  
340 NaCl- sodium chloride anion nacl-  
341 KCl Potassium Chloride kcl  
342 CuF Copper monofluoride cuf  
343 LiBr- lithium bromide anion libr-  
344 LiBr+ lithium bromide cation libr+  
345 CuCl Copper monochloride cucl  
346 NaBr Sodium Bromide nabr  
347 NaBr- sodium bromide anion nabr-  
348 NaBr+ sodium bromide cation nabr+  
349 KBr Potassium Bromide kbr  
350 LiI Lithium Iodide lii  
351 NaI Sodium Iodide nai  
352 KI Potassium Iodide ki  
353 LiF- lithium fluoride anion lif-  
354 BeF Beryllium monofluoride bef  
355 BeF- Beryllium monofluoride anion bef-  
356 BeF+ Beryllium monofluoride cation bef+  
357 BeCl beryllium monochloride becl  
358 MgF Magnesium monofluoride mgf  
359 MgF- magnesium fluoride anion mgf-  
360 CaF Calcium monofluoride caf  
361 MgCl magnesium monochloride mgcl  
362 MgCl- magnesium monochloride anion mgcl-  
363 MgCl+ magnesium monochloride cation mgcl+  
364 CaCl calcium monochloride cacl  
365 TiCl Titanium Monochloride ticl  
366 ZnF- Zinc monofluoride anion znf-  
367 ZnF+ Zinc monofluoride cation znf+  
368 ZnCl Zinc monochloride zncl  
369 BeCl- beryllium monochloride anion becl-  
370 BeCl+ beryllium monochloride cation becl+  
371 BF- Boron monofluoride anion bf-  
372 BF+ Boron monofluoride cation bf+  
373 AlF- Aluminum monofluoride anion alf-  
374 AlF+ Aluminum monofluoride cation alf+  
375 BCl boron monochloride bcl  
376 BCl- boron monochloride anion bcl-  
377 BCl+ boron monochloride cation bcl+  
378 AlCl Aluminum monochloride alcl  
379 AlCl- aluminum monochloride anion alcl-  
380 AlCl+ aluminum monochloride cation alcl+  
381 BBr Boron monobromide bbr  
382 AlI Aluminum monoiodide ali  
383 CF- carbon monofluoride anion cf-  
384 CF+ carbon monofluoride cation cf+  
385 CCl carbon monochloride ccl  
386 CCl- carbon monochloride anion ccl-  
387 CCl+ carbon monochloride cation ccl+  
388 SiF- silicon monofluoride anion sif-  
389 SiCl- silicon monochloride anion sicl-  
390 SiCl+ silicon monochloride cation sicl+  
391 SiBr Silicon monobromide sibr  
392 NF nitrogen fluoride nf  
393 NF- nitrogen monofluorine anion nf-  
394 NF+ nitrogen monofluoirde cation nf+  
395 NCl- nitrogen monochloride anion ncl-  
396 NCl+ nitrogen monochloride cation ncl+  
397 PF phosphorus monofluoride pf  
398 PF- phosphorus monofluoride anion pf-  
399 PF+ phosphorus monofluoride cation pf+  
400 PCl phosphorus chloride pcl  
401 PCl- phosphorus monochloride anion pcl-  
402 PCl+ phosphorus monochloride cation pcl+  
403 NBr nitrogen monobromide nbr  
404 SbF Antimony monofluoride sbf  
405 SbCl Antimony monochloride sbcl  
406 FO- flourine oxide anion fo-  
407 FO+ fluorine monoxide cation fo+  
408 ClO- chlorine monoxide anion clo-  
409 SF- sulfur monofluoride anion sf-  
410 SCl sulfur monochloride scl  
411 SCl- sulfur monochloride anion scl-  
412 BrO- Bromine monoxide anion bro-  
413 IO Iodine monoxide io  
414 ClF- clorine monofluoride anion clf-  
415 Cl2- chlorine diatomic anion cl2-  
416 BrF- bromine fluoride anion brf-  
417 BrF+ bromine fluoride cation brf+  
418 BrCl- bromine chloride anion brcl-  
419 BrCl+ bromine chloride cation brcl+  
420 IF Iodine monofluoride if  
421 ICl Iodine monochloride icl  
422 IBr Iodine monobromide ibr  
423 I2 Iodine diatomic i2  
424 I2+ Iodine diatomic cation i2+  
425 HCCl Chloromethylene hccl  
426 CHBr bromomethylene chbr  
427 DOCl Hypochlorous acid-d docl  
428 HOBr Hypobromous acid hobr  
429 HOBr+ Hypobromous acid cation hobr+  
430 HOI Hypoiodous acid hoi  
431 FHF Hydrogen difluoride fhf  
432 FHF- Hydrogen difluoride anion fhf-  
433 NH2F monofluoroamine nh2f  
434 H2F2 Hydrogen fluoride dimer h2f2  
435 CD3F methylfluoride-d3 cd3f  
436 CD3Cl methyl chloride d3 cd3cl  
437 SiH3Br bromosilane sih3br  
438 CH3I methyl iodide ch3i  
439 SiH3I Silyl Iodide sih3i  
440 Ne2 Neon diatomic ne2  
441 C3H3 cyclopropenyl radical cpr  
442 C3H3 Propargyl radical propargyl  
443 C3H3- Propargyl anion c3h3-  
444 C3H3+ cyclopropenyl cation cpr+  
445 C3H3+ Propargyl cation c3h3+  
446 C3H5 Allyl radical allyl  
447 C3H5+ Allyl cation allyl+  
448 CH3CHCH 1-propenyl radical ch3chch  
449 Zn(CH3)2 dimethyl zinc dmz  
450 C3H6 Cyclopropane c3h6  
451 SiH2(CH3)2 dimethylsilane dms  
452 KCN Potassium cyanide kcn  
453 CN2 3H-Diazirin-3-ylidene cn2  
454 NCN Cyanoimidogen ncn  
455 N3- azide anion n3-  
456 HCNN diazomethyl radical hcnn  
457 CH2N2 diazirine ch2n2  
458 CH2NN diazomethane ch2nn  
459 NH2CN cyanamide cyanamide  
460 CH3CN- acetonitrile anion ch3cn-  
461 CH3CN+ Acetonitrile cation ch3cn+  
462 CH3NC methyl isocyanide ch3nc  
463 CHNCH2 2H-Azirine c157164  
464 CHNHCH 1H-Azirine chnhch  
465 H2CCNH Ethenimine ch2cnh  
466 H2CNCH methyleneaminomethylene ch2nch  
467 HCCNH2 Ethynamine hccnh2  
468 NCNH3+ Cyanamide, protonated ncnh3+  
469 CH2CHNH vinylazine ch2chnh  
470 CH3CHN methylmethaniminyl radical ch3chn  
471 NHCHNH2 aminomethanimine cn2h4  
472 C2H5N Aziridine c2h5n  
473 CH2CHNH2 aminoethene aminoethene  
474 CH2NCH3 N-methylmethanimine nmm  
475 CH3CHNH ethanimine ethanimine  
476 NH2BHNH2 diaminoborane nh2bhnh2  
477 C2H5NH+ Protonated Aziridine c2h5nh+  
478 NH2CH2NH2 diaminomethane nh2ch2nh2  
479 CH3NHCH3 Dimethylamine ch3nhch3  
480 CH3PHCH3 dimethylphosphine ch3phch3  
481 NH2CH2NH3+ diaminoethane, protonated pdam  
482 (CH3)2NH2+ dimethylammonium cation dmam  
483 CH3CH2NH3+ ethylamine, protonated pea  
484 Li2O+ dilithium oxide cation li2o+  
485 CNO- fulminate cno-  
486 NCO- cyanate nco-  
487 SCN thiocyanato radical scn  
488 SCN- thiocyanide anion scn-  
489 BO2 Boron dioxide bo2  
490 BO2- Boron dioxide anion bo2-  
491 BO2+ Boron dioxide cation bo2+  
492 N2O+ Nitrous oxide cation n2o+  
493 NNS Nitrogen sulfide nns  
494 PPO Phosphorus oxide phosphide ppo  
495 CO2 Carbon dioxide co2  
496 CO2- Carbon dioxide anion co2-  
497 CO2+ Carbon dioxide cation co2+  
498 OCS+ Carbonyl sulfide cation cos+  
499 SiO2 silicon dioxide sio2  
500 CS2- Carbon disulfide anion cs2-  
501 CS2+ Carbon disulfide cation cs2+  
502 SiS2 Silicon disulfide sis2  
503 GeS2 Germanium disulfide ges2  
504 CSe2 Carbon diselenide cse2  
505 SCTe Carbon sulfide Telluride scte  
506 NO2- Nitrogen dioxide anion no2-  
507 PO2 Phosphorus dioxide po2  
508 PO2- Phosphorus dioxide anion po2-  
509 PO2+ Phosphorus dioxide cation po2+  
510 AsO2 Aresenic dioxide aso2  
511 O3- Ozone anion o3-  
512 O3+ Ozone cation o3+  
513 SO2- Sulfur dioxide anion so2-  
514 SO2+ Sulfur dioxide cation so2+  
515 S3- Sulfur trimer anion s3-  
516 TeO2 Tellurium Dioxide teo2  
517 CS2H+ Carbon disulfide, protonated cs2h+  
518 HCNO fulminic acid hcno  
519 HNCO Isocyanic acid hnco  
520 HOCN cyanic acid hocn  
521 HNCS Isothiocyanic acid hncs  
522 HSCN thiocyanic acid hscn  
523 HCO2- formate anion hco2-  
524 HNNO nitrosoazane hnno  
525 HNNO+ Nitrous oxide, N-protonated hnno+  
526 NNOH+ Nitrous Oxide, O-protonated nnoh+  
527 HCOO formate neutral radical hcoo  
528 HOCO+ Hydrocarboxyl cation hoco+  
529 HNO2 Nitrous acid hno2  
530 HNO2+ nitrous acid cation hno2+  
531 SO2H+ protonated sulfur dioxide so2h+  
532 CH2CO+ Ketene cation ch2co+  
533 HCCOH ethynol hccoh  
534 Mg(OH)2 Magnesium dihydroxide h2mgo2  
535 CH2O2 Dioxirane diox  
536 H2O3 Hydrogen trioxide h2o3  
537 HSSSH trisulfane hsssh  
538 NaOCH3 Sodium methoxide naoch3  
539 CH2CHO Vinyloxy radical ch2cho  
540 CH3CO Acetyl radical ch3co  
541 CH3CO- Acetyl anion ch3co-  
542 CH3CO+ acetyl cation ch3co+  
543 CH2NOH formaldoxime ch2noh  
544 CH3NO nitrosomethane ch3no  
545 CHONH2 formamide formamide  
546 CHSNH2 thioformamide chsnh2  
547 CH2OOH CH2OOH radical ch2ooh  
548 CH3OO methylperoxy radical ch3oo  
549 CH3OO- methylperoxy anion ch3oo-  
550 CH3OO+ methylperoxy cation ch3oo+  
551 CH2CHOH ethenol ch2choh  
552 CH3CHS Thioacetaldehyde ch3chs  
553 H2CONH2+ protonated formamide h2conh2+  
554 NH3CHO+ Formamide, N-Protonated nh3cho+  
555 CH2(OH)2 methanediol ch2o2h2  
556 CH3OOH Methyl peroxide ch3ooh  
557 H2OH2CO water formaldehyde dimer h2oh2co  
558 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
559 CH3CH2O Ethoxy radical ethoxy  
560 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
561 CH3CHOH+ acetaldehyde, protonated ch3choh+  
562 CH3OCH2 methoxymethyl radical ch3och2  
563 NH2CH2OH aminomethanol nh2ch2oh  
564 CH3CH2OH Ethanol etoh  
565 CH3OCH3 Dimethyl ether meome  
566 CH3SeCH3 dimethylselenide dmse  
567 CH3OHH2O methanol water dimer ch3ohh2o  
568 H2OCH3OH water methanol dimer h2och3oh  
569 CuF2 Copper difluoride cuf2  
570 ZnF2 Zinc difluoride znf2  
571 FCN Cyanogen fluoride fcn  
572 ClCN chlorocyanogen clcn  
573 ICN Cyanogen iodide icn  
574 BeF2 Beryllium fluoride bef2  
575 MgF2 Magnesium fluoride mgf2  
576 BeCl2 Beryllium chloride becl2  
577 MgCl2 Magnesium dichloride mgcl2  
578 CaCl2 Calcium Chloride cacl2  
579 ZnCl2 Zinc dichloride zncl2  
580 CaBr2 Calcium dibromide cabr2  
581 CaF2 Calcium difluoride caf2  
582 BrNO Nitrosyl bromide brno  
583 INO Nitrosyl iodide ino  
584 CF2- Difluoromethylene anion cf2-  
585 CF2+ Difluoromethylene cation cf2+  
586 SiF2+ Silicon difluoride cation sif2+  
587 CCl2 dichloromethylene ccl2  
588 CCl2- dichloromethylene anion ccl2-  
589 CCl2+ dichloromethylene cation ccl2+  
590 SiCl2 Dichlorosilylene sicl2  
591 GeF2 Germanium difluoride gef2  
592 CBr2 dibromomethylene cbr2  
593 FOO Dioxygen monofluoride radical foo  
594 ClOO chloroperoxy radical cloo  
595 ClOO+ chloroperoxy cation cloo+  
596 OClO+ Chlorine dioxide cation oclo+  
597 ClS2 Sulfur chloride cls2  
598 NF2 Difluoroamino radical nf2  
599 NF2+ Difluoroamino cation nf2+  
600 F2O Difluorine monoxide f2o  
601 SF2- sulfur difluoride anion sf2-  
602 SF2+ sulfur difluoride cation sf2+  
603 Cl2O Dichlorine monoxide cl2o  
604 SCl2 Sulfur dichloride scl2  
605 BrOCl Bromine hypochlorite brocl  
606 BrOBr Bromine oxide brobr  
607 F3- trifluoride anion f3-  
608 Cl3- trichloride anion cl3-  
609 I3- triiodide i3-  
610 HCCF+ fluoroacetylene cation hccf+  
611 HCCCl Chloroacetylene hcccl  
612 HCCBr bromoacetylene hccbr  
613 HFCO formyl fluoride hfco  
614 COHCl Formyl chloride cohcl  
615 COHBr Formyl bromide cohbr  
616 BHF2 Difluoroborane bhf2  
617 BHCl2 Borane, dichloro- bhcl2  
618 CHCl2 dichloromethyl radical chcl2  
619 CHBr2 dibromomethyl radical chbr2  
620 HOClO Chlorous acid hoclo  
621 CH2FCl fluorochloromethane ch2fcl  
622 CH2BrF Methane, bromofluoro- ch2fbr  
623 CH2FI fluoroiodomethane ch2fi  
624 CH2ClI chloroiodomethane ch2cli  
625 CH2BrI bromoiodomethane ch2bri  
626 CH2I2 Diiodomethane ch2i2  
627 SiH2Cl2 dichlorosilane sih2cl2  
628 CH2CHF+ fluoroethene cation ch2chf+  
629 C2H3Cl Ethene, chloro- ch2chcl  
630 C2H3Br vinyl bromide c2h3br  
631 C2H3I Vinyl iodide c2h3i  
632 CH3OCl methyl hypochlorite ch3ocl  
633 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
634 CHClCH3 1-chloroethyl radical chclch3  
635 C2H5F fluoroethane c2h5f  
636 CH3CH2Cl Ethyl chloride c2h5cl  
637 CH3SiFH2 fluoromethylsilane ch3sifh2  
638 C2H5I Ethyl iodide c2h5i  
639 KrF2 Krypton difluoride krf2  
640 XeF2 Xenon difluoride xef2  
641 B4H10 Tetraborane(10) b4h10  
642 C4+ Carbon tetramer cation c4+  
643 C4H2 Diacetylene c4h2  
644 C4H2+ diacetlyene cation c4h2+  
645 C2H3CCH 1-Buten-3-yne c2h3cch  
646 C4H4 cyclobutadiene cbd  
647 H2CCCCH2 Butatriene h2cccch2  
648 C4H6 Cyclobutene c822355  
649 C4H6 Methylenecyclopropane c6142730  
650 CH2CCHCH3 1,2-Butadiene butad12  
651 CH2CHCHCH2 1,3-Butadiene c106990  
652 CH3CCCH3 2-Butyne c503173  
653 CHCCH2CH3 1-Butyne c107006  
654 CH3CHCHCH2 methylallyl radical c4h7  
655 C4H8 methylcyclopropane mcp  
656 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
657 CH2CHCH2CH3 1-Butene bute1  
658 CH3CHCHCH3 2-Butene, (E)- bute2e  
659 CH3CHCHCH3 2-Butene, (Z)- bute2z  
660 B(CH3)3 trimethylborane bme3  
661 Al(CH3)3 trimethyl aluminum tma  
662 C(CH3)3 Tert-butyl radical tbutyl  
663 CH2CH(CH3)2 Isobutyl radical isobutyl  
664 CH3CHCH2CH3 2-Butyl radical butyl2  
665 CH3CH(CH3)CH3 Isobutane isobutane  
666 SiH(CH3)3 trimethylsilane trimsi  
667 C2N2+ Cyanogen cation c2n2+  
668 P4 Phosphorus tetramer p4  
669 As4 Arsenic tetramer as4  
670 HCCCN Cyanoacetylene hcccn  
671 C3H3N acrylonitrile ch2chcn  
672 C3H3N+ acrylonitrile cation ch2chcn+  
673 CH3N3 methyl azide ch3n3  
674 NH2CCNH2 Diaminoacetylene daa  
675 NH2CH2CN Aminoacetonitrile aan  
676 CH3NHN2+ methyl azide, protonated ch3nhn2+  
677 CH5N3 Guanidine guanidine  
678 C4H6 Bicyclo[1.1.0]butane c157335  
679 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
680 H2NCHCHNH2 diaminoethylene dae  
681 CH6N3+ guanidinium ch6n3+  
682 C3H7N Cyclopropylamine cpram  
683 CH7N3 triaminomethane tam  
684 C3H7N Azetidine azet  
685 C4H8 cyclobutane cbutane  
686 C2H8N2 Ethylenediamine ethdiam  
687 CH3NHNHCH3 dimethyl hydrazine dmh  
688 CH3CH(NH2)CH3 2-Propanamine pram2  
689 N(CH3)3 Trimethylamine trimeam  
690 NH2CH2CH2CH3 1-Propanamine pram1  
691 P(CH3)3 trimethylphosphine tmp  
692 N(SiH3)3 trisilylamine tsa  
693 As(CH3)3 trimethyl arsine tmas  
694 (CH3)3NH+ protonated trimethyl amine ptma  
695 C3H7NH3+ n-propylamine, protonated c3h7nh2  
696 Li2O2 dilithium dioxide li2o2  
697 K2O2 dipotassium dioxide k2o2  
698 B2O2 Diboron dioxide b2o2  
699 CO3 Carbon trioxide co3  
700 CO3-- carbonate co3--  
701 CS3-- Carbonotrithioate cs3--  
702 NO3 Nitrogen trioxide no3  
703 NO3+ nitrogen trioxide cation no3+  
704 SO3- Sulfur trioxide anion so3-  
705 SO3+ Sulfur trioxide cation so3+  
706 SeO3 selenium trioxide seo3  
707 TeO3 Tellurium trioxide teo3  
708 HCO3- bicarbonate anion hco3-  
709 HNO3 Nitric acid hno3  
710 HSO3 Hydroxysulfonyl radical hso3  
711 NH2NO2 nitramide nh2no2  
712 C2H2CO cyclopropenone c2h2co  
713 HCCCHO 2-propynal hcccho  
714 C2H2O2+ Ethanedial cation c2h2o2+  
715 H2CO3 Carbonic acid h2co3  
716 H2CS3 thiocarbonic acid h2cs3  
717 H2NO3+ Nitric Acid, Protonated h2no3+  
718 H2SO3 Sulfurous acid h2so3  
719 C2H3NO Nitrosoethylene c2h3no  
720 HOCH2CN cyanomethanol hoch2cn  
721 CH3COO- acetate anion ch3coo-  
722 CH3ONO Methyl nitrite ch3ono  
723 NH2COOH Carbamic acid nh2cooh  
724 H3BO3 Boric acid h3bo3  
725 H3CO3+ carbonic acid, protonated h3co3+  
726 C3H4O 2-Propyn-1-ol c107197  
727 C3H4O allenol c9000071  
728 C3H4O Cyclopropanone cpone  
729 C3H4O Methylketene c6004440  
730 NH2CONH2+ Urea cation urea+  
731 NH2CSNH2 Thiourea thiourea  
732 C2H4O2 1,3-dioxetane c2h4o2  
733 CH3COOH Acetic acid ch3cooh  
734 CH3OCHO methyl formate ch3ocho  
735 CHOCH2OH hydroxy acetaldehyde haa  
736 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
737 NH3COOH+ protonated Carbamic acid nh3cooh+  
738 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
739 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
740 HCOOHH2O Formic acid water dimer hcoohh2o  
741 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
742 CH2C(OH)NH2 1-amino vinyl alchohol ava  
743 CH3C(OH)=NH Ethaninidic acid eia  
744 CH3CHNOH Acetaldoxime acetaldoxime  
745 CH3CONH2 Acetamide acetamide  
746 CH3CSNH2 Ethanethioamide ch3csnh2  
747 CH5N2O+ urea, N-protonated ch4n2o+  
748 H2NCOHNH2+ urea, protonated ureah+  
749 C2H5OO ethylperoxy radical c2h5oo  
750 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
751 C3H5OH Cyclopropanol cproh  
752 C3H6O 2-Propen-1-ol c107186  
753 C3H6O Acetone enol enol  
754 C3H6O Oxetane oxetane  
755 C3H6O Propylene oxide prox  
756 CH3CH2CHO Propanal propanal  
757 CH3COCH3 Acetone acetone  
758 CH3COCH3- acetone anion ch3coch3-  
759 C3H6S Thietane thietane  
760 C3H6S Thiirane, methyl- methiirane  
761 CH3CSCH3 Thioacetone ch3csch3  
762 C2H6O2 1,2-Ethanediol ethdiol  
763 CH3OOCH3 dimethylperoxide dmp  
764 CH3SOCH3 Dimethyl sulfoxide dmso  
765 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
766 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
767 CH3COHCH3+ acetone, protonated acetoneh+  
768 HOCH2CH2NH2 monoethanolamine mea  
769 CH3CHOHCH3 Isopropyl alcohol isoproh  
770 CH3OC2H5 Ethane, methoxy- etome  
771 C3H7SH 1-Propanethiol prsh  
772 CH3CHSHCH3 2-Propanethiol isoprsh  
773 CH3SCH2CH3 Ethane, (methylthio)- etsme  
774 H2OCH3OCH3 water dimethylether dimer h2och3och3  
775 Na2F2 Sodium Fluoride Dimer na2f2  
776 Na2Cl2 Disodium dichloride na2cl2  
777 C2F2 difluoroacetylene c2f2  
778 C2Cl2 dichloroacetylene c2cl2  
779 C2Cl2+ dichloroacetylene cation c2cl2+  
780 FNO2 Nitryl fluoride fno2  
781 FONO Nitrosyl hypofluorite fono  
782 ClNO2 Nitryl chloride clno2  
783 ClONO chlorine nitrite clono  
784 BrONO Bromine nitrite brono  
785 N2F2 (Z)-Difluorodiazene n2f2_z  
786 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
787 COFCl Carbonic chloride fluoride cofcl  
788 CCl2O Phosgene cl2co  
789 Cl2CS Thiophosgene cl2cs  
790 COBr2 Carbonic dibromide cobr2  
791 BF3 Borane, trifluoro- bf3  
792 BF3- Borane, trifluoro- anion bf3-  
793 AlF3 Aluminum trifluoride alf3  
794 BClF2 Chlorodifluoroborane bclf2  
795 AlF2Cl Aluminum chloride difluoride alclf2  
796 ScF3 Scandium trifluoride ScF3  
797 AlFCl2 Aluminum dichloride fluoride alcl2f  
798 AlCl3 Aluminum trichloride alcl3  
799 GaCl3 Gallium trichloride gacl3  
800 BBr3 Boron tribromide bbr3  
801 AlBr3 Aluminum Bromide albr3  
802 ClO3 Chlorine trioxide clo3  
803 ClO3- chlorate anion clo3-  
804 BrO3- Bromate anion bro3-  
805 CF3 Trifluoromethyl radical cf3  
806 CF3+ Trifluoromethyl cation cf3+  
807 SiF3 Silicon trifluoride radical sif3  
808 SiF3+ Silicon trifluoride cation sif3+  
809 CCl3 Trichloromethyl radical ccl3  
810 CCl3- Trichloromethyl anion ccl3-  
811 CCl3+ Trichloromethyl cation ccl3+  
812 SiCl3 trichlorosilyl radical sicl3  
813 SiCl3+ trichlorosilyl cation sicl3+  
814 CBr3 tribromomethyl radical cbr3  
815 FOOF Perfluoroperoxide foof  
816 F2SO Thionyl Fluoride f2so  
817 ClOOCl Dichlorine dioxide cloocl  
818 FSSF Difluorodisulfane fssf  
819 S2F2 Thio-thionyl fluoride s2f2  
820 SOCl2 thionyl chloride socl2  
821 SeOCl2 selenium oxychloride seocl2  
822 NF3- Nitrogen trifluoride anion nf3-  
823 NF3+ Nitrogen trifluoride cation nf3+  
824 PF3 Phosphorus trifluoride pf3  
825 NCl3 nitrogen trichloride ncl3  
826 AsF3 Arsenic trifluoride asf3  
827 PCl3 Phosphorus trichloride pcl3  
828 SbF3 Antimony Trifluoride sbf3  
829 AsCl3 Arsenous trichloride ascl3  
830 SbCl3 Antimony Trichloride sbcl3  
831 NBr3 Nitrogen Tribromide nbr3  
832 PBr3 Phosphorus tribromide pbr3  
833 AsBr3 Arsenic tribromide asbr3  
834 NI3 Nitrogen triiodide ni3  
835 PI3 Phosphorus triiodide pi3  
836 ClSSCl Disulfur dichloride s2cl2  
837 SF3 Sulfur trifluoride sf3  
838 ClF3 Chlorine trifluoride clf3  
839 BrF3 Bromine trifluoride brf3  
840 IF3 iodone trifluoride if3  
841 CHF2Cl difluorochloromethane chf2cl  
842 CHFCl2 fluorodichloromethane chfcl2  
843 CDCl3 trichloromethane-d cdcl3  
844 CHCl3 Chloroform chcl3  
845 SiHCl3 Trichlorosilane sihcl3  
846 CHFClBr fluorochlorobromomethane chfclbr  
847 CHBrCl2 Methane, bromodichloro- chbrcl2  
848 CHF2I difluoroiodomethane chf2i  
849 CHBr2F dibromofluoromethane chbr2f  
850 CHFClI fluorochloroiodomethane chfcli  
851 CHCl2I dichloroiodomethane chcl2i  
852 CHClBr2 Methane, dibromochloro- chclbr2  
853 CHBr3 bromoform chbr3  
854 CHI3 Iodoform chi3  
855 NF3H+ protonated nitrogen trifluoride nf3h+  
856 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
857 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
858 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
859 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
860 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
861 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
862 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
863 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
864 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
865 C2H2Br2 1,1-dibromoethene c2h2br2  
866 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
867 CH2FCHO Fluoroacetaldehyde ch2fcho  
868 CH3COF Acetyl fluoride ch3cof  
869 CH2ClCHO chloroacetaldehyde ch2clcho  
870 CH3COCl Acetyl Chloride ch3cocl  
871 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
872 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
873 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
874 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
875 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
876 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
877 CH2CFCH3 2-fluoropropene 2fpro  
878 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
879 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
880 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
881 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
882 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
883 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
884 CH2FCH2CH3 1-Fluoropropane prf1  
885 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
886 CH3CHClCH3 Propane, 2-chloro- prcl2  
887 CH3CH2CH2Br n-propyl bromide prbr  
888 CH3CHBrCH3 i-propyl bromide iprbr  
889 C3H9O+ trimethyl oxonium cation c3h9o+  
890 C5H4 pentatetraene ptrene  
891 C5H5 cyclopentadienyl radical c5h5  
892 C5H5- cylopentadienyl anion c5h5-  
893 C5H6 1,3-Cyclopentadiene c542927  
894 C5H6 1-Buten-3-yne, 2-methyl- c78808  
895 C5H6 3-Penten-1-yne, (E)- c2004695  
896 C5H6 3-Penten-1-yne, (Z)- c1574409  
897 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
898 C5H6 Cyclopropylacetylene c6746947  
899 C5H6 Propellane propellane  
900 C5H7 1,3-pentadienyl radical pdyl  
901 C5H7 cyclopentenyl radical cpyl  
902 C5H8 1,2-Butadiene, 3-methyl- c598254  
903 C5H8 1,2-Pentadiene c591957  
904 C5H8 1,3-Butadiene, 2-methyl- c78795  
905 C5H8 1,3-Pentadiene, (E)- c2004708  
906 C5H8 1,3-Pentadiene, (Z)- c1574410  
907 C5H8 1,4-Pentadiene c591935  
908 C5H8 1-pentyne a1pentyne  
909 C5H8 2,3-Pentadiene c591968  
910 C5H8 Cyclobutane, methylene- c1120565  
911 C5H8 Cyclopentene c142290  
912 C5H8 Ethenylcyclopropane c693867  
913 CH3CCCH2CH3 2-Pentyne 2pentyne  
914 C5H10 1-Butene, 2-methyl- c563462  
915 C5H10 2-Butene, 2-methyl- c513359  
916 C5H10 2-Pentene, (E)- c646048  
917 C5H10 2-Pentene, (Z)- c627203  
918 C5H10 Cyclopentane c287923  
919 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
920 CH2CHCH2CH2CH3 1-pentene pentene  
921 C5H11 2-Methylbut-2-yl radical c4348350  
922 C5H12 Butane, 2-methyl- buta2  
923 C5H12 Pentane pentane  
924 C5H12 Propane, 2,2-dimethyl- neopentane  
925 Si(CH3)4 tetramethylsilane tms  
926 N2O3 Dinitrogen trioxide n2o3  
927 C3H2N2 Malononitrile c3h2n2  
928 CH2N4 1H-Tetrazole 1htz  
929 C3H3N2 imidazolyl radical im  
930 C3H3N2- imidizolyl anion im-  
931 C2H3N3 1H-1,2,4-Triazole c288880  
932 C4H4N pyrrolide radical c4h4n  
933 C4H4N- pyrrolide anion c4h4n-  
934 C3H4N2 1H-Imidazole 1himidaz  
935 C3H4N2 1H-Pyrazole 1hpyraz  
936 C3H4N2 2H-Imidazole imid2h  
937 C3H4N2 4H-Imidazole imid4h  
938 C4H5N (E)-2-Butenenitrile c627269  
939 C4H5N (Z)-2-Butenenitrile c1190767  
940 C4H5N 2H-pyrrole pyrrole2  
941 C4H5N 3H-pyrrole pyrrole3  
942 C4H5N Cyclopropanecarbonitrile c5500210  
943 C4H5N Pyrrole pyrrole  
944 CH2CHCH2CN Allylcyanide ch2chch2cn  
945 C4H6N+ pyrrole, alpha-protonated appyr  
946 C4H6N+ pyrrole, beta-protonated bppyr  
947 C4H6N+ pyrrole, protonated ppyr  
948 C3H6N2 3-Aminopropionitrile c151188  
949 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
950 CH3CH2CH2CN Butanenitrile c109740  
951 C5H8 Bicyclo[2.1.0]pentane c185944  
952 C5H8 Spiropentane c157404  
953 C4H9N Cyclobutylamine cbam  
954 C4H9N Pyrrolidine pyrrolidine  
955 C3H10N2 1,2-Diaminopropane diampr12  
956 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
957 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
958 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
959 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
960 NH(C2H5)2 diethylamine dea  
961 NC4H12+ tetramethyl ammonium cation nc4h12+  
962 C3O2+ Carbon suboxide cation c3o2+  
963 MgCO3 Magnesium Carbonate mgco3  
964 BeCO3 Beryllium Carbonate beco3  
965 CaCO3 Calcium Carbonate caco3  
966 ONONO Nitrosyl nitrite onono  
967 PO4--- phosphate po4---  
968 SO4-- sulfate so4--  
969 HOONO2 peroxy nitric acid hoono2  
970 HSO4- bisulfate anion hso4-  
971 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
972 C3H2O2 Propiolic acid c3h2o2  
973 CHOCOOH oxo acetic acid oaa  
974 CHOOCHO diformyl ether choocho  
975 H2SO4 Sulfuric acid h2so4  
976 H2SeO4 Selenic acid h2seo4  
977 C3H3NO Oxazole oxazole  
978 C3H3NS Thiazole thiazole  
979 CH3C(O)OO acetyl peroxy radical ch3coo2  
980 CH3NO3 Methyl nitrate ch3no3  
981 H3PO4 Phosphoric Acid h3po4  
982 C4H4O Furan furan  
983 C4H4O+ Furan cation furan+  
984 CH3COCCH 3-butyn-2-one c1423605  
985 C4H4S Thiophene furans  
986 C4H4Se selenophene c4h4se  
987 C3H4O2 β–Propiolactone beta  
988 C3H4O2 2-Propenoic acid propenoic2  
989 C3H4O2 Methyl glyoxal megly  
990 C3H4O2 propanedial propanedial  
991 C3H4O2 propenalol propenalol  
992 HOCHCCHOH allenediol aldiol  
993 C2H4O3 1,2,3-trioxolane c2h4o3  
994 C2H4O3 trioxolane124 triox  
995 HOCH2COOH Hydroxyacetic acid hac  
996 CH2CHCONH2 Acrylamide c79061  
997 CH3OCH2CN Methoxyacetonitrile c1738369  
998 CH5N3S Hydrazinecarbothioamide c79196  
999 H2NCH2COOH Glycine glycine  
1000 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1001 C4H6O cis-2-butenal butenal2c  
1002 C4H6O Cyclobutanone cbutone  
1003 C4H6O Furan, 2,3-dihydro- furan23h  
1004 C4H6O Furan, 2,5-dihydro- furan25h  
1005 CH2CHOCHCH2 Vinyl ether vinylether  
1006 CHOCHCHCH3 2-Butenal butenal2  
1007 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1008 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1009 CH2CHSCHCH2 Divinyl sulfide divis  
1010 C2H6N2O Urea, methyl- c598505  
1011 C3H6O2 1,3-Dioxolane dioxolane  
1012 CH3CH2COOH Propanoic Acid propanoic  
1013 CH3COOCH3 methyl acetate aame  
1014 HCOOC2H5 Ethyl formate faee  
1015 C2H6O2S Dimethyl sulfone c67710  
1016 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1017 C3H7NO dimethylformamide dmf  
1018 C3H7NO Propanamide propanam  
1019 C2H3OC2H5 Ethene, ethoxy- c109922  
1020 C4H8O Cyclobutanol c2919235  
1021 C4H8O Furan, tetrahydro- thf  
1022 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1023 CH3COCH2CH3 2-Butanone buta2one  
1024 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1025 CHOCH2CH2CH3 Butanal butanal  
1026 C4H8S Thiophene, tetrahydro- tht  
1027 C3H8O2 1,3-Propanediol c504632  
1028 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1029 C3H8O2 Methane, dimethoxy- c109875  
1030 C3H8O2 Propylene glycol c57556  
1031 C3H8S2 1,3-Propanedithiol c109808  
1032 C4H10O 1-Butanol butanol1  
1033 C4H10O 1-Propanol, 2-methyl- c78831  
1034 C4H10O 2-Butanol, (.+/-.)- butanol2  
1035 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1036 C4H10O Ethoxy ethane etoet  
1037 C4H10O Methyl propyl ether meopr  
1038 C4H10O Propane, 2-methoxy- c598538  
1039 C4H10O+ 1-Butanol cation butanol1+  
1040 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1041 C2H5SC2H5 Diethyl sulfide etset  
1042 C4H9SH 1-Butanethiol bush  
1043 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1044 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1045 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1046 FNO3 Fluorine nitrate fno3  
1047 ClONO2 Chlorine nitrate clono2  
1048 BrONO2 Bromine nitrate brono2  
1049 TiCl4 Titanium tetrachloride ticl4  
1050 ClO4- perchlorate anion clo4-  
1051 BF4- tetrafluoroboron anion bf4-  
1052 ClFO3 Perchloryl fluoride clfo3  
1053 SO2F2 Sulfuryl fluoride so2f2  
1054 SO2Cl2 Sulfuryl chloride so2cl2  
1055 F3NO Nitrogen trifluoride oxide f3no  
1056 F3PO Phosphoryl fluoride pf3o  
1057 Cl3PO Phosphoryl chloride pcl3o  
1058 CF4 Carbon tetrafluoride cf4  
1059 SiF4 Silicon tetrafluoride sif4  
1060 TiF4 Titanium tetrafluoride tif4  
1061 CFCl3 Trichloromonofluoromethane cfcl3  
1062 CF3Br Bromotrifluoromethane cf3br  
1063 GeF4 Germanium tetrafluoride gef4  
1064 CCl4 Carbon tetrachloride ccl4  
1065 CCl4+ Carbon tetrachloride cation ccl4+  
1066 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1067 SiCl4 Silane, tetrachloro- sicl4  
1068 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1069 CF3I trifluoroiodomethane cf3i  
1070 CBrCl3 Methane, bromotrichloro- cbrcl3  
1071 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1072 GeCl4 Germanium Tetrachloride gecl4  
1073 CBr2ClF dibromochlorofluoromethane cbr2clf  
1074 CBr2Cl2 dibromodichloromethane cbr2cl2  
1075 CCl3I trichloroiodomethane ccl3i  
1076 CFBr3 fluorotribromomethane cfbr3  
1077 CFClBrI fluorochlorobromoiodomethane cfclbri  
1078 CBr3Cl tribromochloromethane cbr3cl  
1079 CF2I2 difluorodiiodomethane cf2i2  
1080 CBr4 Carbon tetrabromide cbr4  
1081 CCl2I2 dichlorodiiodomethane ccl2i2  
1082 SiBr4 Silicon tetrabromide sibr4  
1083 CBr3I tribromoiododmethane cbr3i  
1084 GeBr4 Germanium tetrabromide gebr4  
1085 CI4 tetraiodomethane ci4  
1086 SiI4 silicon tetraiodide sii4  
1087 ClOF3 Chlorine trifluoride oxide clof3  
1088 SeF4 Selenium tetrafluoride sef4  
1089 SCl4 Sulfur tetrachloride scl4  
1090 C2HF3 Trifluoroethylene c2hf3  
1091 C2HF3+ Trifluoroethylene cation c2hf3+  
1092 CHClCCl2 Trichloroethylene chclccl2  
1093 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1094 HClO4 perchloric acid hclo4  
1095 HSO3F Fluorosulfonic acid hso3f  
1096 CF3OH trifluoromethanol cf3oh  
1097 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1098 CHClCCHCl 1,3-dichloroallene chclcchcl  
1099 CHCl2CHO dichloroacetaldehyde chcl2cho  
1100 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1101 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1102 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1103 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1104 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1105 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1106 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1107 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1108 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1109 NH3BCl3 Amminetrichloroboron nh3bcl3  
1110 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1111 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1112 C3H5ClO Oxirane, (chloromethyl)- c106898  
1113 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1114 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1115 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1116 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1117 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1118 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1119 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1120 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1121 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1122 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1123 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1124 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1125 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1126 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1127 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1128 C4H9F 1-fluorobutane butaf1  
1129 CH3CHFCH2CH3 2-fluorobutane butaf2  
1130 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1131 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1132 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1133 XeF4 Xenon tetrafluoride xef4  
1134 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1135 NH3BF3 Amminetrifluoroboron nh3bf3  
1136 C6H2 hexatriyne c6h2  
1137 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1138 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1139 C6H4 Benzyne benzyne  
1140 C6H5 phenyl phenyl  
1141 C6H5- phenyl anion phenyl-  
1142 C6H6 Prismane prismane  
1143 C6H6 1,2,4,5-Hexatetraene ht1245  
1144 C6H6 2,4-Hexadiyne hexadiyne  
1145 C6H6 3,4-Dimethylenecyclobutene cb34m  
1146 C6H6 Benzene benzene  
1147 C6H6 Benzvalene bv  
1148 C6H6 Dewar Benzene dewar  
1149 C6H6 Hexa-1,5-diene-3-yne hdy153  
1150 C6H6 Trimethylenecycopropane tmcp  
1151 C6H6+ Benzene cation c6h6+  
1152 C6H7+ benzene, protonated c6h7+  
1153 C6H8 (E)-hexa-1,3,5-triene c821078  
1154 C6H8 (E)-hexa-2,3,4-triene c59660650  
1155 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1156 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1157 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1158 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1159 C6H8 3-Methylenecyclopentene c930267  
1160 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1161 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1162 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1163 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1164 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1165 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1166 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1167 C6H10 1,5-Hexadiene c592427  
1168 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1169 C6H10 1-Hexyne hexyne1  
1170 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1171 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1172 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1173 C6H10 2-Hexyne c764352  
1174 C6H10 3-Hexyne hexyne3  
1175 C6H10 cyclohexene cyclohexene  
1176 C6H10 Cyclopentene, 1-methyl- c693890  
1177 C6H10 Cyclopentene, 3-methyl- c1120623  
1178 C6H10 Cyclopentene, 4-methyl- c1759815  
1179 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1180 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1181 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1182 C6H12 (E)-2-Hexene e2hexene  
1183 C6H12 (E)-3-methylpent-2-ene c616126  
1184 C6H12 (E)-hex-3-ene e3hexene  
1185 C6H12 (Z)-3-methylpent-2-ene c922623  
1186 C6H12 (Z)-hex-2-ene z2hexene  
1187 C6H12 (Z)-hex-3-ene z3hexene  
1188 C6H12 2,3-dimethylbut-1-ene c563780  
1189 C6H12 2,3-dimethyl-but-2-ene tmeet  
1190 C6H12 3-methylenepentane c760214  
1191 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1192 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1193 C6H12 Cyclohexane cyclohexane  
1194 C6H12 Cyclopentane, methyl- c96377  
1195 C6H12 Ethylcyclobutane c4806615  
1196 C6H12 hex-1-ene hexene1  
1197 C6H14 Butane, 2,2-dimethyl- buta22  
1198 C6H14 Butane, 2,3-dimethyl- buta23  
1199 C6H14 Hexane hexane  
1200 C6H14 Pentane, 2-methyl- penta2  
1201 C6H14 Pentane, 3-methyl- penta3  
1202 C4N2 2-Butynedinitrile c4n2  
1203 C4H2N2 Fumaronitrile c4h2n2  
1204 C2H2N4 sym-tetrazine ttz  
1205 C3H3N3 1,3,5-Triazine triazine135  
1206 CH3N5 5-Aminotetrazole c4418615  
1207 C4H4N2 1,3-Diazine diazine13  
1208 C4H4N2 Pyrazine pyrazine  
1209 C4H4N2 Pyridazine pyridazine  
1210 C4H4N2 Succinonitrile c110612  
1211 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1212 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1213 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1214 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1215 C5H5N E-2,4-pentadienenitrile bdcn  
1216 C5H5N Pyridine pyridine  
1217 B3N3H6 borazine borazine  
1218 C6H6 Fulvene fulvene  
1219 C5H6N+ Pyridinium c5h6n  
1220 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1221 C5H7N (E)-2-Pentenenitrile c26294984  
1222 C5H7N (E)-3-Pentenenitrile c16529661  
1223 C5H7N (Z)-2-Pentenenitrile c25899507  
1224 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1225 C5H7N Cyclobutanecarbonitrile c4426113  
1226 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1227 C5H9N Butanenitrile, 2-methyl- c18936179  
1228 C5H9N Pentanenitrile c110598  
1229 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1230 C6H10 Bicyclo[3.1.0]hexane c285585  
1231 C5H11N Cyclopentanamine cypentam  
1232 C5H11N Piperidine piper  
1233 C4H12N2 1,2-Butanediamine c4426486  
1234 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1235 Li2CO3 Lithium Carbonate li2co3  
1236 Na2CO3 Sodium Carbonate na2co3  
1237 C2O4-- oxalate anion c2o4  
1238 MgSO4 Magnesium Sulfate mgso4  
1239 N2O4 Dinitrogen tetroxide n2o4  
1240 C2H2O4 Oxalic Acid oxalic  
1241 C2H3NO3 Oxamic acid oxamic  
1242 C4H4O2 2(5H)-Furanone furanone  
1243 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1244 C2H4N2O2 Oxalamide oxalamide  
1245 C2H4N2S2 Ethanedithioamide c79403  
1246 C2H4CO3 Ethylene carbonate etco3  
1247 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1248 C3H4S3 1,3-Dithiolane-2-thione c822388  
1249 C2H4O4 Formic acid dimer fadimer  
1250 C4H5NO 3-Methylisoxazole isox3m  
1251 C4H5NO Isoxazole, 5-methyl- c5765446  
1252 C4H5NS 4-Methylthiazole c693958  
1253 C2H5NO3 Nitric acid, ethyl ester c625581  
1254 C5H6O 2-methylfuran furan2m  
1255 C5H6O 3-Methylfuran furan3m  
1256 C5H6O Pentadienal pdal  
1257 C5H6S Thiophene, 2-methyl- c554143  
1258 C5H6S Thiophene, 3-methyl- c616444  
1259 C4H6O2 2,3-Butanedione c431038  
1260 C4H6O2 2-Propenoic acid, methyl ester c96333  
1261 C4H6O2 Crotonic Acid crot  
1262 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1263 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1264 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1265 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1266 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1267 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1268 C4H6OS Vinyl sulfoxide c1115157  
1269 CH6N4S Carbonothioic dihydrazide thiacarb  
1270 C2H6N2O2 (E)-Azodioxymethane c37765154  
1271 C2H6N2O2 Dimethylnitroamine c4164287  
1272 C3H6S3 1,3,5-Trithiane c3h6s3  
1273 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1274 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1275 C4H7NO 2-Pyrrolidinone c616455  
1276 C4H7NO Ethoxyacetonitrile etoaccn  
1277 C4H7NO Methacrylamide c79390  
1278 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1279 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1280 C3H7ONO Propyl nitrite prono  
1281 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1282 CH3CH(NH2)COOH Alanine alanine  
1283 CH3NHCH2COOH Sarcosine sarcosine  
1284 NH2CH2CH2COOH β–alanine betaalanine  
1285 NH2COOC2H5 Urethane urethane  
1286 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1287 C5H8O Cyclopentanone c120923  
1288 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1289 C5H8O Methyl cyclopropyl ketone c765435  
1290 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1291 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1292 NH2CONHC2H5 Urea, ethyl- c625525  
1293 C4H8O2 1,3-Dioxane dioxan13  
1294 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1295 C4H8O2 1,4-Dioxane dioxan14  
1296 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1297 C4H8O2 Ethyl acetate c141786  
1298 C4H8OS s-Ethyl thioacetate c625605  
1299 C3H8O3 1,2,3-Propanetriol glycerin  
1300 C3H8O2S (Methylsulfonyl)ethane c594434  
1301 C4H9NO Butanamide c541355  
1302 C4H9NO Propanamide, 2-methyl- c563837  
1303 C5H10O 2-Butanone, 3-methyl- c563804  
1304 C5H10O 2H-Pyran, tetrahydro- c142687  
1305 C5H10O 2-methylbutyraldehyde 2meba  
1306 C5H10O 2-Pentanone mpk  
1307 C5H10O 3-Pentanone dek  
1308 C5H10O Cyclopentanol c96413  
1309 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1310 C5H10O Pentanal pal  
1311 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1312 C5H10S 3-Ethylthio-1-propene c5296628  
1313 C5H10S Cyclopentanethiol c1679078  
1314 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1315 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1316 C4H10O2 1,1-Dimethoxyethane c534156  
1317 C4H10O2 1,3-Butanediol budiol13  
1318 C4H10O2 1,4-Butanediol budiol14  
1319 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1320 C4H10OS Diethyl sulfoxide c70291  
1321 C4H10S2 1,4-Butanedithiol budisl14  
1322 C4H11NO Diethylhydroxylamine c3710847  
1323 C5H12O 1-Butanol, 2-methyl- c137326  
1324 C5H12O 1-Butanol, 3-methyl- c123513  
1325 C5H12O 1-Pentanol pentanol1  
1326 C5H12O 2-Butanol, 3-methyl- c598754  
1327 C5H12O 2-Pentanol peol2  
1328 C5H12O 3-Pentanol pentan3ol  
1329 C5H12O Butane, 1-methoxy- meobu  
1330 C5H12O Propane, 1-ethoxy- proet  
1331 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1332 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1333 C5H12S 1-Butanethiol, 3-methyl- c541311  
1334 C5H12S 1-Pentanethiol c110667  
1335 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1336 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1337 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1338 C5H12S Butane, 1-(methylthio)- c628295  
1339 C5H12S Ethyl propyl sulfide c4110503  
1340 C5H12S Propane, 2-(ethylthio)- c5145993  
1341 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1342 C4F2 difluorobutadiyne c4f2  
1343 ClCOClCO Oxalyl chloride oxcl  
1344 CF3CN Acetonitrile, trifluoro- cf3cn  
1345 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1346 B2F4 Diboron tetrafluoride b2f4  
1347 B2Cl4 Diboron tetrachloride b2cl4  
1348 C2F4 Tetrafluoroethylene c2f4  
1349 C2F4+ Tetrafluoroethylene cation c2f4+  
1350 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1351 CF2CCl2 difluorodichloroethylene cf2ccl2  
1352 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1353 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1354 C2FCl3 fluorotrichloroethene c2fcl3  
1355 C2Cl4 Tetrachloroethylene c2cl4  
1356 C2Br4 tetrabromoethene c2br4  
1357 CF3OF Trifluoromethylhypofluorite cf3of  
1358 SiF5- silicon pentafluoride anion sif5-  
1359 SOF4 Sulfur tetrafluoride oxide sof4  
1360 PF5 Phosphorus pentafluoride pf5  
1361 AsF5 Arsenic pentafluoride asf5  
1362 PCl5 Phosphorus pentachloride pcl5  
1363 SF5 Sulfur pentafluoride sf5  
1364 SF5+ pentafluoro sulfur cation sf5+  
1365 SbCl5 Antimony pentachloride sbcl5  
1366 BrF5 bromine pentafluoride brf5  
1367 ClF5 chlorinepentafluoride clf5  
1368 IF5 pentafluoroiodine if5  
1369 CF3CHO trifluoroacetaldehyde cf3cho  
1370 CCl3CHO trichloroacetaldehyde ccl3cho  
1371 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1372 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1373 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1374 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1375 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1376 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1377 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1378 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1379 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1380 CF3COOH trifluoroacetic acid cf3cooh  
1381 C4H3ClO Furan, 2-chloro fur2cl  
1382 C4H3ClO Furan,3-chloro fur3cl  
1383 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1384 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1385 C4H8Cl2 1,4-Dichlorobutane c110565  
1386 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1387 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1388 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1389 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1390 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1391 C5H11Cl Pentane, 1-chloro- pencl1  
1392 C4H8O2 Butanoic acid bua  
1393 C6H5CH2 benzyl radical benzyl  
1394 C7H7+ cycloheptatrienyl cation c7h7+  
1395 C6H5CH3 toluene toluene  
1396 C7H8 cycloheptatriene cht  
1397 C7H8 Norbornadiene norbor  
1398 C7H8 Quadricyclane qucy  
1399 C7H12 Norbornane nor  
1400 C7H14 cycloheptane c7h14  
1401 C7H16 2-methylhexane 2mhex  
1402 C7H16 3-methylhexane hex3m  
1403 C7H16 heptane heptane  
1404 CH(CN)3 tricyanomethane mecn3  
1405 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1406 C6H7N 2-Methylpyridine mp  
1407 C6H5NH2 aniline aniline  
1408 C6H13N 2-Methylpiperidine pip2m  
1409 C6H13N cyclohexanamine cham  
1410 C6H15N triethylamine tea  
1411 N2O5 Dinitrogen pentoxide n2o5  
1412 C4H2O3 Maleic Anhydride malan  
1413 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1414 C5H4O2 furfural furfural  
1415 C6H5O phenoxy radical phenoxy  
1416 C5H5NO 2(1H)-Pyridinone c72762006  
1417 C5H5NO 2(3H)-Pyridinone c9000048  
1418 C5H5NO 2(5H)-Pyridinone c9000037  
1419 C5H5NO 2-Pyridinol c109104  
1420 C5H5NO 3(2H)-Pyridinone c9000004  
1421 C5H5NO 3(4H)-Pyridinone c9000026  
1422 C5H5NO 3(6H)-Pyridinone c9000015  
1423 C5H5NO 3-Pyridinol c109002  
1424 C5H5NO 4(1H)-Pryidinone c9000060  
1425 C5H5NO 4(3H)-Pryidinone c9000059  
1426 C5H5NO 4-Pyridinol c626642  
1427 C6H5OH phenol phenol  
1428 C6H6O 2,4-Cyclohexadienone c24599573  
1429 C6H6O 2,5-Cyclohexadienone c5664335  
1430 C6H5SH Benzenethiol phsh  
1431 HO2CCHNH2CH2OH Serine serine  
1432 C5H8O2 Acetylacetone acac  
1433 C4H8O2S Sulfolane sulfolane  
1434 C7H10 Norbornene norbornene  
1435 CH(C2H3)3 trivinyl methane tvm  
1436 C6H10O cyclohexanone chexo  
1437 C6H12O hexanal c6h12o  
1438 C3H7OC3H7 di-n-propyl ether propr  
1439 F2CCCF2 tetrafluoroallene pfa  
1440 CF3COO- trifluoro acetate anion cf3coo-  
1441 CF3COF trifluoroacetyl fluoride cf3cof  
1442 CF3COCl trifluoroacetyl chloride cf3cocl  
1443 PF6 Hexafluorophosphate neutral pf6  
1444 PF6- Hexafluorophosphate ion pf6-  
1445 SeF6 Selenium hexafluoride sef6  
1446 SF5Cl sulfur chloropentafluoride sf5cl  
1447 CF3CHF2 pentafluoroethane cf3chf2  
1448 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1449 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1450 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1451 CCl3CHCl2 pentachloroethane ccl3chcl2  
1452 C6H5F Fluorobenzene bzf  
1453 C6H5Cl chlorobenzene bzcl  
1454 C6H5Br bromobenzene bzbr  
1455 C8H6 Calicene calicene  
1456 C6H5CCH phenylacetylene phac  
1457 C8H6 benzocyclobutadiene bcbd  
1458 C8H6 Pentalene pentalene  
1459 C6H5CHCH2 Styrene styrene  
1460 C8H8 cubane cubane  
1461 C8H8 cyclooctatetraene cot  
1462 C6H5CH2CH3 Ethylbenzene etbz  
1463 CH3C6H4CH3 meta-xylene mxylene  
1464 CH3C6H4CH3 paraxylene pxylene  
1465 C8H14 Bicyclo[2.2.2]octane bico222  
1466 C8H16 cyclooctane cyclooct  
1467 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1468 C8H18 Octane c8h18  
1469 C6H5CN phenyl cyanide phcn  
1470 C6H12N2 Triethylenediamine ted  
1471 C4O4-- squarate dianion c4o4--  
1472 S4N4 Tetrasulfur tetranitride s4n4  
1473 S8 Octasulfur s8  
1474 C6H4O2 parabenzoquinone pbq  
1475 C4H4N2O2 Uracil uracil  
1476 C6H5CHO benzaldehyde benzal  
1477 C6H5OCH3 Anisole anisole  
1478 C5H9NO2 Proline proline  
1479 C6H12O2 Methyl pivalate c598981  
1480 C6H12O2 Hexanoic acid hexa  
1481 C4F4 tetrafluorcyclobutadiene c4f4  
1482 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1483 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1484 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1485 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1486 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1487 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1488 C2F6 hexafluoroethane c2f6  
1489 C2Cl6 hexachloroethane c2cl6  
1490 IF7 Iodine heptafluoride if7  
1491 C6H4F2 metadifluorobenzene mdfb  
1492 C6H4F2 orthodifluorobenzene odfb  
1493 C6H4F2 1,4-difluorobenzene pdfb  
1494 C6H4Cl2 1,2-dichlorobenzene dcb12  
1495 C6H4Cl2 1,3-dichlorobenzene dcb13  
1496 C6H4Cl2 1,4-dichlorobenzene dcb14  
1497 C6H5NO nitrosobenzene bzno  
1498 C9H8 Indene indene  
1499 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1500 C9H12 n-propyl benzene prbz  
1501 C9H20 Nonane nonane  
1502 C(CN)4 tetracyanomethane c5n4  
1503 C5H4N4 purine purine  
1504 C8H7N Indole indole  
1505 C3H3N3O3 cyanuric acid cyanuric  
1506 C6H5NO2 Nitrobenzene c6h5no2  
1507 C6H5COOH benzoic acid benzo  
1508 CH3COC6H5 acetophenone acph  
1509 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1510 C3F6 hexafluoropropene c3f6  
1511 C6H3F3 Benzene trifluoride 123 bzf3a  
1512 C8H18O 1-Octanol octanol  
1513 C10H8 Azulene azu  
1514 C10H8 naphthalene naph  
1515 C10H10 bullvalene bullv  
1516 C10H16 adamantane adamantane  
1517 C6N4 Tetracyanoethylene tcne  
1518 C6N4- tetracyanoethylene anion tcne-  
1519 C10H22 Decane decane  
1520 C4F6 perfluorobutadiene c4f6  
1521 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1522 C3F8 perfluoropropane c3f8  
1523 Fe(CO)5 Iron pentacarbonyl ipc  
1524 Fe(C5H5)2 ferrocene fecp2  
1525 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1526 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1527 C12H8 Acenaphthylene acenaph  
1528 C12H8 biphenylene biph  
1529 C12H10 biphenyl biphenyl  
1530 C12H10 Heptalene heptalene  
1531 C6H12O6 Inositol inositol  
1532 C6F6 hexafluorobenzene c6f6  
1533 S2F10 disulphur decafluoride s2f10  
1534 C13H10 Fluorene fluorene  
1535 C14H10 Anthracene anth  
1536 C14H10 Phenanthrene phenanthrene  
1537 C14H14 Bibenzyl bibenzyl  
1538 C12H10N2 azobenzene azobenzene  
1539 C6H5COC6H5 benzophenone benzophenone  
1540 C16H10 Pyrene pyrene  
1541 C18H12 Tetracene tetracene  
1542 C19H16 Triphenylmethane tpm  
1543 C24H12 Coronene coronene  
1544 C60 Buckminsterfullerene c60