return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at B2PLYP /daug-cc-pVTZ

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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 He Helium atom 1SKh
6 He Helium atom   
7 He+ Helium atom cation 2SKh
8 Li- Lithium atom anion 1SKh
9 LiH Lithium Hydride 1ΣC∞v
10 MgH magnesium monohydride 2ΣC∞v
11 ZnH+ Zinc, protonated   
12 Al- Aluminum atom anion 3PKh
13 Al+ Aluminum atom cation 1SKh
14 Ga Gallium atom 2P 
15 Ga- Gallium atom anion 3POh
16 Ga+ Gallium atom cation 1S 
17 GaH Gallium monohydride 1ΣC∞v
18 GaH+ Gallium monohydride cation 2ΣC∞v
19 AlH3- aluminum trihydride anion  C3v
20 C Carbon atom 3P0Kh
21 Si- Silicon atom anion 4SKh
22 Ge Germanium atom 3PKh
23 Ge- Germanium anion 4SKh
24 Ge+ Germanium cation 2PKh
25 CH Methylidyne 2Π1/2C∞v
26 SiH Silylidyne 2ΠC∞v
27 GeH germylidene 2ΠC∞v
28 CH2- methylene anion 2B1C2v
29 GeH2 germylene 1A1C2v
30 CH3 Methyl radical 2A1D3h
31 CH3- methyl anion 1A1C3v
32 SiH3 Silyl radical 2A1C3v
33 GeH3 Germyl radical 2A1C3v
34 GeH3+ germyl cation 1A1'D3h
35 CH4 Methane 1A1Td
36 SiH2D2 silane-d2   
37 SiH4 Silane 1A1Td
38 GeH4 Germane 1A1Td
39 SiH5+ Silane, protonated   
40 N Nitrogen atom 4SKh
41 As Arsenic atomic 4SKh
42 As- Arsenic anion 3PKh
43 As+ Arsenic cation 3PKh
44 PH phosphorus monohydride 3Σ-C∞v
45 AsH Arsenic monohydride 3ΣC∞v
46 NH2 Amino radical 2B1C2v
47 NH3 Ammonia 1A1C3v
48 PH3+ Phosphine cation 2A1C3v
49 AsH3 Arsine 1A1C3v
50 AsH3+ Arsine cation 2A1C3v
51 AsH4+ Arsonium   
52 NH4 Ammonium radical   
53 PH4 Phosphoranyl radical   
54 O Oxygen atom 3SKh
55 S Sulfur atom 3PKh
56 S Sulfur atom   
57 S- Sulfur atom anion 2PKh
58 Se Selenium atom 3PKh
59 Se- Selenium atom anion 2PKh
60 Se+ Selenium atom cation 4SKh
61 OH Hydroxyl radical 2ΠC∞v
62 OH- hydroxide anion 1ΣC∞v
63 OH+ hydoxyl cation 3ΣC∞v
64 HSe Selenium monohydride 2ΠC∞v
65 HSe- selenium monohydride anion 1ΣC∞v
66 HSe+ selenium monohydride cation 3ΣC∞v
67 H2O Water 1A1C2v
68 H2O- water anion 2A1C2v
69 H2O- water anion 2A'Cs
70 H2S Hydrogen sulfide 1A1C2v
71 H2Se Hydrogen selenide 1A1C2v
72 H2Se+ Hydrogen selenide cation 2B1C2v
73 H3Se+ Hydrogen Selenide, protonated 1A1C3v
74 F Fluorine atom 2PKh
75 F- Fluorine atom anion 1SKh
76 Cl Chlorine atom 2PKh
77 Cl- Chlorine atom anion 1SKh
78 Br Bromine atom 2PKh
79 Br- Bromine atom anion 1SKh
80 Br+ Bromine atom cation 3PKh
81 HF Hydrogen fluoride 1ΣC∞v
82 HF- hydrogen fluoride anion 2ΣC∞v
83 HF+ hydrogen fluoride cation 2ΠC∞v
84 HCl Hydrogen chloride 1ΣC∞v
85 HCl- hydrogen chloride anion 2ΣC∞v
86 HCl+ hydrogen chloride cation 2ΠC∞v
87 HBr hydrogen bromide 1ΣC∞v
88 HBr- hydrogen bromide anion 2ΣC∞v
89 HBr+ hydrogen bromide cation 2ΠC∞v
90 H2Br+ protonated hydrogen bromide 2A1C2v
91 Ne Neon atom   
92 HeLi+ Helium Lithium cation   
93 ArH+ Argon hydride cation 1ΣC∞v
94 NaLi lithium sodium 1ΣC∞v
95 Na2 Sodium diatomic 1ΣgD∞h
96 Na2- sodium diatomic anion 2ΣuD∞h
97 LiAl Lithium Aluminum   
98 HBBH Diborane(2) 3ΣGD∞h
99 B2H4 Diborane(4) D2d 1A1D2d
100 B2H6 Diborane 1AgD2h
101 B2H6+ Diborane cation   
102 GeC Germanium monocarbide 1ΣC∞v
103 SiGe Silicon Germanium   
104 C2H- Ethynyl anion 1ΣC∞v
105 C2H2 Acetylene 1ΣgD∞h
106 C2H2+ acetylene cation 2ΠuD∞h
107 C2H2+ acetylene cation   
108 Si2H2 disilyne   
109 Si2H2 disilyne   
110 Si2H2 disilyne   
111 Si2H2 disilyne   
112 CH3Li methyl lithium 1A1C3v
113 C2H3+ vinyl cation 1A1C2V bridging H
114 C2H3+ vinyl cation 1A1C2V HCCH2
115 C2H4 Ethylene 1AgD2h
116 Si2H4 Disilene   
117 Si2H4 Disilene   
118 Si2H4 Disilene   
119 C2H6 Ethane 1A1gD3d
120 Si2H6 disilane 1EuD3d
121 LiN Lithium Nitride 3ΣC∞v
122 LiP Lithium monophosphide   
123 LiP Lithium monophosphide   
124 MgN Magnesium Nitride   
125 GaAs Gallium arsenide 3Π 
126 GaAs Gallium arsenide 1Σ 
127 CN Cyano radical 2ΣC∞v
128 SiP Silicon monophosphide 2ΠC∞v
129 N2 Nitrogen diatomic 1ΣgD∞h
130 N2 Nitrogen diatomic   
131 N2- nitrogen diatomic anion 2ΠgD∞h
132 PN Phosphorus mononitride 1ΣC∞v
133 HCN Hydrogen cyanide 1ΣC∞v
134 HNC+ hydrogen isocyanide cation   
135 HCP+ Phosphaethyne cation   
136 NNH+ Dinitrogen monohydride cation 1ΣC∞v
137 LiNH2 lithium amide   
138 H2NN Isodiazene   
139 CH2NH Methanimine 1A'Cs
140 CH2NH+ Methanimine cation   
141 CHNH2 aminomethylene   
142 CHNH2+ Aminocarbene cation   
143 BH2NH2 Boranamine   
144 CH3NH2 methyl amine 1A'Cs
145 SiH3NH2 Silane, amino   
146 BH3PH3 borane phosphine   
147 BH3NH3 borane ammonia 1A1C3v
148 LiSe Lithium monoselenide   
149 GaO Gallium monoxide 2ΣC∞v
150 GaS Gallium monosulfide   
151 CO Carbon monoxide 1ΣC∞v
152 CO- carbon monoxide anion 2ΠC∞v
153 CO+ carbon monoxide cation 2ΣC∞v
154 SiO Silicon monoxide 1ΣC∞v
155 SiS silicon monosulfide 1ΣC∞v
156 CSe Carbon monoselenide 1ΣC∞v
157 GeO Germanium monoxide 1ΣC∞v
158 SiSe Silicon Monoselenide   
159 SiSe+ Silicon Monoselenide cation   
160 GeSe Germanium monoselenide   
161 NO Nitric oxide 2ΠC∞v
162 NO- nitric oxide anion 3ΣC∞v
163 PS phosphorus sulfide 2ΣC∞v
164 O2 Oxygen diatomic 3ΣgD∞h
165 O2- oxygen diatomic anion 2ΠD∞h
166 O2-- dioxygen dianion   
167 SO Sulfur monoxide 3ΣC∞v
168 SO Sulfur monoxide 1ΣC∞v
169 SO+ sulfur monoxide cation 2ΠC∞v
170 S2 Sulfur diatomic 3ΣgD∞h
171 SeO Selenium monoxide 3ΣC∞v
172 Se2 Selenium diatomic 3ΣgD∞h
173 BeOH beryllium monohydroxide 2A'Cs
174 HBS hydrogen boron sulfide 1ΣC∞v
175 COH Hydroxymethylidyne   
176 HCO Formyl radical 2A'Cs
177 HCO+ Formyl cation 1ΣC∞v
178 HNO Nitrosyl hydride 1A'Cs
179 HNO+ Nitrosyl hydride cation 2A'Cs
180 HSO+ Sulfur Monoxide, S-protonated   
181 SOH Sulfur Hydroxide   
182 SOH+ Sulfur Monoxide, protonated   
183 H2CO Formaldehyde 1A1C2v
184 H2CO- formaldehyde anion 2A'Cs
185 H2CO- formaldehyde anion   
186 H2CO+ formaldehyde cation 2B2C2v
187 H2CS Thioformaldehyde 1A1C2v
188 H2CSe Selenoformaldehyde   
189 H2O2 Hydrogen peroxide 1AC2
190 H2OO water oxide   
191 HOSH hydrogen thioperoxide   
192 H2Se2 hydrogen diselenide   
193 NH2OH hydroxylamine 1A'Cs
194 NH2OH+ Hydroxylamine cation   
195 NH2SH Thiohydroxylamine   
196 CH3OH Methyl alcohol 1A'Cs
197 CH3OH+ Methyl alcohol cation 2A"Cs
198 CH3SH Methanethiol 1A'Cs
199 SiH3OH silanol   
200 NH2OH2+ protonated hydroxylamine   
201 NH3OH+ N-protonated hydroxylamine   
202 LiF lithium fluoride 1ΣC∞v
203 LiCl lithium chloride 1ΣC∞v
204 NaF+ sodium fluoride cation 2ΣC∞v
205 LiBr Lithium Bromide 1ΣC∞v
206 LiF+ lithium fluoride cation 2ΠC∞v
207 BF Boron monofluoride 1ΣC∞v
208 AlF Aluminum monofluoride 1Σ+C∞v
209 GaF Gallium monofluoride 1ΣC∞v
210 AlBr Aluminum monobromide   
211 GaCl Gallium monochloride 1ΣGC∞v
212 GaBr Gallium monobromide   
213 CF Fluoromethylidyne 2ΠC∞v
214 SiCl Clorosilylidyne 2ΠC∞v
215 GeF Germanium monofluoride 2ΠC∞v
216 GeCl Germanium monochloride 2ΠC∞v
217 GeCl+ Germanium monochloride cation   
218 SiBr+ Silicon monobromide cation   
219 PBr Phosphorus monobromide   
220 ClO Monochlorine monoxide 2ΠC∞v
221 ClO+ chlorine monoxide cation 3ΣC∞v
222 SF Monosulfur monofluoride 2ΠC∞v
223 SF+ sulfur monofluoride cation 3ΣC∞v
224 SCl+ sulfur monochloride cation 3ΣgC∞v
225 BrO Bromine monoxide 2ΠC∞v
226 BrO+ Bromine monoxide cation   
227 SBr Sulfur monobromide radical   
228 SBr+ Sulfur monobromide cation   
229 SeBr Selenium monobromide   
230 BrCl Bromine monochloride 1ΣC∞v
231 F2 Fluorine diatomic 1ΣgD∞h
232 F2- flourine diatomic anion 2ΣuD∞h
233 F2+ flourine diatomic cation 2ΠgD∞h
234 ClF+ clorine monofluoride cation 2ΠC∞v
235 Cl2 Chlorine diatomic 1ΣgD∞h
236 Cl2+ chlorine diatomic cation 2ΠgD∞h
237 BrF Bromine monofluoride 1ΣC∞v
238 Br2 Bromine diatomic 1ΣgD∞h
239 Br2- bromine diatomic anion 2ΣuD∞h
240 Br2+ bromine diatomic cation 2ΠgD∞h
241 HCF Fluoromethylene 1A'Cs
242 HCF Fluoromethylene 3A"Cs
243 HSiF fluorosilylene   
244 HSiCl Chlorosilylene   
245 HSiBr monobromosilylene   
246 HOF Hypofluorous acid 1A'Cs
247 HOCl hypochlorous acid 1A'Cs
248 HOCl+ hypochlorous acid cation   
249 ClFH+ Chlorine fluoride, F-protonated   
250 FClH+ Chlorine fluoride, Cl-protonated   
251 CH2Br bromomethyl radical   
252 CH2F+ fluoromethyl cation   
253 CH2Cl+ chloromethyl cation   
254 CH2Cl chloromethyl radical 2A'Cs
255 CH2Cl chloromethyl radical 2B1C2v
256 NH2Cl chloramine 1A'Cs
257 CH3F+ methyl fluoride cation   
258 CH3F Methyl fluoride 1A1C3v
259 CH3Cl Methyl chloride 1A1C3v
260 CH3Cl+ Methyl chloride cation   
261 SiH3F monofluorosilane 1A1C3v
262 SiH3Cl chlorosilane 1A1C1
263 CH3Br methyl bromide 1A1C3v
264 GeH3F monofluorogermane   
265 GeH3Cl monochlorogermane   
266 NH3Cl+ protonated monochloroammonia   
267 NH4Cl Ammonium chloride   
268 Ar2 Argon diatomic 1SgD∞h
269 SiC2 Silicon dicarbide   
270 C3H4 cyclopropene 1A1C2v
271 CH2CCH2 allene 1A1D2d
272 CH3CCH propyne 1A'C3v
273 C3H6 Cyclopropane 1A1'D3h
274 CH2CHCH3 Propene 1A'Cs
275 C3H7 n-Propyl radical 2A"C1
276 C3H8 Propane 1A1C2v
277 Si3H8 trisilane   
278 AlCN Aluminum monocyanide   
279 AlNC Aluminum isocyanide   
280 HN3 hydrogen azide 1A'Cs
281 HNCNH diiminomethane 1AC2
282 HNNNH+ 1,2-Triazadienium   
283 NH2NN+ hydrazoic acid, protonated   
284 CH3CN Acetonitrile 1A1C3v
285 CH3CN- acetonitrile anion 2EC3v
286 CH3CN- acetonitrile anion 2A'Cs
287 HCNCH2+ 2H-Azirine cation   
288 NH2CNH+ cyanamide, cn protonated   
289 NH3CN+ cyanamide, amine protonated   
290 Na2S Sodium sulfide   
291 Na2S Sodium sulfide   
292 LiO2 Lithium dioxide   
293 NaO2 Sodium superoxide   
294 N2O Nitrous oxide 1ΣC∞v
295 CO2 Carbon dioxide 1ΣgD∞h
296 OCS Carbonyl sulfide 1ΣC∞v
297 CS2 Carbon disulfide 1ΣgD∞h
298 GeO2 Germanium dioxide 1ΣgD∞h
299 OCSe Carbonyl selenide 1ΣC∞v
300 SCSe Carbon sulfide selenide   
301 NO2 Nitrogen dioxide 2A1C2v
302 NSO sulfinyl amidogen   
303 SNO Nitrogen oxide sulfide   
304 SO2 Sulfur dioxide 1A1C2v
305 SSO Disulfur monoxide 1A'Cs
306 S3 Sulfur trimer 1A1C2v
307 SeO2 Selenium dioxide 1A1C2v
308 HCNO fulminic acid 1ΣC∞v
309 HOCO Hydrocarboxyl radical 1A'cis
310 HOCO Hydrocarboxyl radical 1A'trans
311 O3H+ protonated ozone 1A'Cs
312 O3H+ protonated ozone   
313 C2H2O Oxirene 1A1C2v
314 CH2CO Ketene 1A1C2v
315 CH2CS Thioketene   
316 CH2O2 Dioxirane 1A1C2v
317 HCOOH Formic acid 1A'Cs
318 HCOOH Formic acid   
319 BH3CO Borane carbonyl 1A1C3v
320 NHCHSH Methanimidothioic acid   
321 C2H4O Ethylene oxide 1A1C2v
322 C2H4O+ ethylene oxide cation   
323 CH3CHO Acetaldehyde 1A'Cs
324 CH3CHO+ acetaldehyde cation   
325 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
326 C2H4S Thiirane 1A1C2v
327 CH3CHS Thioacetaldehyde 1A'C1
328 NH2CHOH+ Formamide, O-protonated   
329 CH3SSH Hydrogen methyl disulfide   
330 HSCH2SH Methanedithiol   
331 CH3CH2OH Ethanol 1A'Cs
332 CH3OCH3 Dimethyl ether 1A1C2v
333 CH3CH2SH ethanethiol 1A'Cs
334 CH3CH2SH ethanethiol 1AC1
335 CH3SCH3 Dimethyl sulfide 1A1C2v
336 BrCN Cyanogen bromide 1ΣC∞v
337 FBO Boron monofluoride monoxide   
338 BeBr2 Beryllium bromide   
339 FNO Nitrosyl fluoride 1A'Cs
340 ClNO Nitrosyl chloride 1A'Cs
341 CF2 Difluoromethylene 1A1D∞h
342 SiF2 Silicon difluoride 1A1C2v
343 GeCl2 Germanium dichloride 1A1C2v
344 FOO+ Fluorine dioxide cation   
345 OClO Chlorine dioxide 2B1D∞h
346 BrOO Bromine dioxide   
347 OBrO Bromine dioxide radical 2B1C2v
348 PF2 Phosphorus difluoride   
349 PF2+ Phosphorus difluoride cation   
350 SF2 sulfur difluoride 1A1C2v
351 SeF2 Selenium difluoride   
352 SeCl2 Selenium Dichloride   
353 SBr2 Sulfur dibromide   
354 SeBr2 Selenium dibromide   
355 Br3- tribromide anion   
356 SFCl Sulfur chloride fluoride   
357 HCCF Fluoroacetylene 1ΣC∞v
358 CHF2 difluoromethyl radical 2ACs
359 CHF2+ difluoromethyl cation   
360 CHFCl Chlorofluoromethyl radical   
361 CHFCl+ Chlorofluoromethyl cation   
362 CHCl2+ dichloromethyl cation   
363 NHF2 difluoramine   
364 NHCl2 dichloroamine   
365 CH2F2 Methane, difluoro- 1A1C2v
366 SiH2F2 difluorosilane   
367 CH2Cl2 Methylene chloride 1A1C2v
368 CH2BrCl Methane, bromochloro- 1A'Cs
369 CH2Br2 dibromomethane 1A1C2v
370 CH3MgBr Methyl Magnesium Bromide   
371 CH2CHF Ethene, fluoro- 1A'Cs
372 CH2FOH fluoromethanol   
373 C2H5Br Ethyl bromide 1A'Cs
374 C4 Carbon tetramer 3ΣgD∞h
375 C4 Carbon tetramer   
376 C4H2+ diacetlyene cation 2ΠgD∞h
377 C4H4 Tetrahedrane   
378 C4H6 1-Methylcyclopropene 1AC1
379 As4 Arsenic tetramer 1A1Td
380 H2CNCN cyanamide, methylene   
381 HNCCNH Ethenediimine   
382 C2H5CN ethyl cyanide 1A'Cs
383 H2NCHCHNH2 diaminoethylene   
384 N(SiH3)3 trisilylamine   
385 ONNO NO dimer 1Agtrans C2H
386 ONNO NO dimer 1A1cis C2V
387 SO3 Sulfur trioxide 1A1'D3h
388 SO3-- Sulfate dianion   
389 S4 Sulfur tetramer   
390 S4 Sulfur tetramer   
391 S4 Sulfur tetramer   
392 HNO3 Nitric acid 1A'Cs
393 C3H2O Propadienal   
394 C3H2O Propadienal   
395 C2H2O2 Ethanedial 1AgC2h
396 C2H3NO Nitrosoethylene   
397 CH3NCO methylisocyante   
398 H3AlO3 Aluminum hydroxide   
399 CH2CHCHO Acrolein 1A'Cs
400 CH2CHCHO Acrolein   
401 CH2C(OH)NH2 1-amino vinyl alchohol   
402 CH3C(OH)=NH Ethaninidic acid   
403 CH3CSNH2 Ethanethioamide   
404 CH3CH2CHO Propanal 1A'Cs
405 CH3COCH3 Acetone 1A1C2v
406 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
407 C3H7OH 1-Propanol   
408 Li2F2 Lithium fluoride dimer   
409 CF2O Carbonic difluoride 1A1C2v
410 CF2O+ Carbonic difluoride cation   
411 BF3+ boron trifluoride cation   
412 BCl3 Borane, trichloro- 1A1'D3h
413 BCl3+ Boron Trichloride cation   
414 GaF3 Gallium trifluoride 1A1'D3h
415 CF2Cl difluorochloromethyl radical   
416 CFCl2 dichlorofluoromethyl radical   
417 SSCl2 Thiothionyl chloride   
418 NF3 Nitrogen trifluoride 1A1C3v
419 NBr3 Nitrogen Tribromide 1A1C3v
420 CHF3 Methane, trifluoro- 1A1C3v
421 SiHF3 trifluorosilane   
422 CHBrF2 Methane, bromodifluoro- 1A'Cs
423 CHFClBr fluorochlorobromomethane 1AC1
424 CHBrCl2 Methane, bromodichloro- 1A'Cs
425 CHBr2F dibromofluoromethane   
426 C2H4F2 1,2-difluoroethane 1AgC2H anti
427 C2H4F2 1,2-difluoroethane 1AC2 gauche
428 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
429 CH2CHCH2F Allyl Fluoride   
430 CH2CHCH2F Allyl Fluoride   
431 CH3CHCHF trans-1-Fluoro-1-propene   
432 CH2FCH2OH 2-fluoroethanol   
433 CH2FCH2CH3 1-Fluoropropane   
434 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
435 C3O2 Carbon suboxide 1ΣGD∞h
436 B2O3 diboron trioxide   
437 B2O3 diboron trioxide   
438 CHOOCHO diformyl ether   
439 C3H3NO Isoxazole 1A'Cs
440 C3H3NS Thiazole   
441 C4H4O Furan 1A1C2
442 C4H4Se selenophene   
443 C4H10O Ethoxy ethane 1A1C2v
444 CF3Cl Methane, chlorotrifluoro- 1A1C3v
445 CF2Cl2 difluorodichloromethane 1A1C2v
446 CF3Br Bromotrifluoromethane 1A1C3v
447 GeF4 Germanium tetrafluoride 1A1Td
448 CCl4 Carbon tetrachloride 1A1Td
449 CBr2ClF dibromochlorofluoromethane   
450 SF4 Sulfur tetrafluoride 1A1C2v
451 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
452 C2H2N2O Furazan   
453 C6H6 Prismane   
454 C6H6 Benzene 1A1gD6h
455 C6H6 Dewar Benzene   
456 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
457 C3H2O3 vinylene carbonate   
458 C4H8O2 Ethyl acetate 1A'Cs
459 PF5 Phosphorus pentafluoride 1A1'D3h
460 C5H4O2 furfural 1A'OCCO cis
461 C5H4O2 furfural 1A'OCCO trans
462 SF6 Sulfur Hexafluoride 1A1GOh
463 C8H8 cubane 1A1GOh
464 C6H5CHO benzaldehyde 1A'Cs
465 B12H12-- Dodecahydrododecaborate(2-)   

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 H2+ Hydrogen cation h2+  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He- Helium atom anion he-  
10 HeH Helium hydride heh  
11 HeH+ Helium hydride cation heh+  
12 He2+ helium diatomic cation he2+  
13 Li Lithium atom li  
14 Li+ Lithium atom cation li+  
15 Na Sodium atom na  
16 Na- Sodium atom anion na-  
17 Na+ Sodium atom cation na+  
18 K Potassium atom k  
19 K- Potassium atom anion k-  
20 K+ Potassium atom cation k+  
21 Cu Copper atom cu  
22 Cu- Copper atom anion cu-  
23 Cu+ Copper atom cation cu+  
24 LiH- lithium hydride anion lih-  
25 LiH+ lithium hydride cation lih+  
26 NaH sodium hydride nah  
27 NaH- sodium hydride anion nah-  
28 NaH+ sodium hydride cation nah+  
29 KH Potassium hydride kh  
30 KH+ Potassium hydrogen cation kh+  
31 CuH Copper monohydride cuh  
32 Be Beryllium atom be  
33 Be- Beryllium atom anion be-  
34 Be+ Beryllium atom cation be+  
35 Mg Magnesium atom mg  
36 Mg- Magnesium atom anion mg-  
37 Mg+ Magnesium atom cation mg+  
38 Ca Calcium atom ca  
39 Ca- Calcium atom anion ca-  
40 Ca+ Calcium atom cation ca+  
41 Zn Zinc atom zn  
42 Zn- Zinc atom anion zn-  
43 Zn+ Zinc atom cation zn+  
44 BeH beryllium monohydride beh  
45 BeH- berylium monohydride anion beh-  
46 BeH+ beryllium monohydride cation beh+  
47 MgH- magnesium monohydride anion mgh-  
48 MgH+ magnesium monohydride cation mgh+  
49 CaH Calcium monohydride cah  
50 CaH+ Calcium monohydride cation cah+  
51 TiH Titanium monohydride tih  
52 ZnH Zinc monohydride znh  
53 BeH2 beryllium dihydride beh2  
54 BeH2+ Beryllium dihydride cation beh2+  
55 MgH2 magnesium dihydride mgh2  
56 CaH2 Calcium Hydride cah2  
57 ZnH2 Zinc hydride znh2  
58 B Boron atom b  
59 B- Boron atom anion b-  
60 B+ Boron atom cation b+  
61 Al Aluminum atom al  
62 Sc Scandium atom sc  
63 Sc+ Scandium cation sc+  
64 BH Boron monohydride bh  
65 BH- boron monohydride anion bh-  
66 BH+ boron monohydride cation bh+  
67 AlH aluminum monohydride alh  
68 AlH- aluminum monohydride anion alh-  
69 AlH+ aluminum monohydride cation alh+  
70 ScH Scandium monohydride sch  
71 ScH+ Scandium monohydride cation sch+  
72 BH2 boron dihydride bh2  
73 BH2- boron dihydride anion bh2-  
74 BH2+ Boron dihydride cation bh2+  
75 AlH2 aluminum dihydride alh2  
76 AlH2- aluminum dihydride anion alh2-  
77 AlH2+ aluminum dihydride cation alh2+  
78 BH3 boron trihydride bh3  
79 BH3- boron trihydride anion bh3-  
80 BH3+ boron trihydride cation bh3+  
81 AlH3 aluminum trihydride alh3  
82 AlH3+ aluminum trihydride cation alh3+  
83 ScH3 Scandium trihydride sch3  
84 GaH3 Gallium trihydride gah3  
85 BH4 borohydride bh4  
86 BH4- borohydride anion bh4-  
87 AlH4- Aluminum tetrahydride anion alh4-  
88 C- Carbon atom anion c-  
89 C+ Carbon atom cation c+  
90 Si Silicon atom si  
91 Si+ Silicon atom cation si+  
92 Ti Titanium atom ti  
93 Ti- Titanium atom anion ti-  
94 Ti+ Titanium atom cation ti+  
95 Sn Tin atom sn  
96 Sn+ Tin cation sn+  
97 CH- methylidyne anion ch-  
98 CH+ Methylidyne cation ch+  
99 SiH- silicon monohydride anion sih-  
100 SiH+ silicon monohydride cation sih+  
101 GeH+ Germaniun monohyrdide cation geh+  
102 CH2 Methylene ch2  
103 CH2+ methylene cation ch2+  
104 SiH2 silicon dihydride sih2  
105 SiH2- silicon dihydride anion sih2-  
106 SiH2+ silicon dihydride cation sih2+  
107 GeH2- germylene anion geh2-  
108 CH3+ methyl cation ch3+  
109 SiH3- Silyl anion sih3-  
110 SiH3+ Silyl cation sih3+  
111 CD4 methane-d4 cd4  
112 CH2D2 methane-d2 ch2d2  
113 CH3D methane-d ch3d  
114 CH4- Methane anion ch4-  
115 CH4+ Methane cation ch4+  
116 CHD3 methane-d3 chd3  
117 SiH4+ Silane cation sih4+  
118 SnH4 Stannane snh4  
119 N- Nitrogen atom anion n-  
120 N+ Nitrogen atom cation n+  
121 P Phosphorus atom p  
122 P- Phosphorus atom anion p-  
123 P+ Phosphorus atom cation p+  
124 V Vanadium atom v  
125 V+ Vanadium atom cation v+  
126 Sb Antimony atom sb  
127 NH Imidogen nh  
128 NH- Imidogen anion nh-  
129 NH+ imidogen cation nh+  
130 PH- phosphorus monohydride anion ph-  
131 PH+ phosphorus monohydride cation ph+  
132 AsH+ Arsenic monohydride cation ash+  
133 SbH Antimony monohydride sbh  
134 ND2 Amidogen-d2 nd2  
135 NH2- amino anion nh2-  
136 NH2+ Amino cation nh2+  
137 PH2 Phosphino radical ph2  
138 PH2- Phosphino anion ph2-  
139 PH2+ Phosphino cation ph2+  
140 AsH2 Arsenic dihydride ash2  
141 AsH2+ Arsenic dihydride cation ash2+  
142 ND3 Ammonia-d3 nd3  
143 NH3- Ammonia anion nh3-  
144 NH3+ ammonia cation nh3+  
145 SbH3 Stibine sbh3  
146 NH4+ ammonium cation nh4+  
147 PH4+ phosphonium cation ph4+  
148 O- Oxygen atom anion o-  
149 O+ Oxygen atom cation o+  
150 S+ Sulfur atom cation s+  
151 Cr Chromium atom cr  
152 Te Tellurium atom te  
153 Te+ Tellurium atom cation te+  
154 DO Hydroxyl-d od  
155 DS Mercapto-d ds  
156 HS Mercapto radical hs  
157 HS- mercapto anion sh-  
158 HS+ sulfur monohydride cation sh+  
159 CrH Chromium hydride crh  
160 CrH+ Chromium hydride cation crh+  
161 TeH Telluryl radical teh  
162 D2O Deuterium oxide d2o  
163 H2O+ water cation h2o+  
164 HDO Water-d1 hdo  
165 D2S Hydrogen sulfide-d2 d2s  
166 H2S- Hydrogen sulfide anion h2s-  
167 H2S+ Hydrogen sulfide cation h2s+  
168 H2Te Hydrogen Telluride h2te  
169 H3O+ hydronium cation h3o+  
170 H3S+ Sulfonium cation h3s+  
171 F+ Fluorine atom cation f+  
172 Cl+ Chlorine atom cation cl+  
173 Mn Manganese atom mn  
174 I Iodine atom iodine  
175 I- Iodine atom anion iodine-  
176 I+ Iodine atom cation iodine+  
177 DF Hydrofluoric acid-d df  
178 DCl Hydrochloric acid-d dcl  
179 HI Hydrogen iodide hi  
180 HI+ Hydrogen iodide cation hi+  
181 H2F+ dihydrogen fluoride cation h2f+  
182 H2Cl+ dihydrogen monochloride cation h2cl+  
183 H2I+ Iodonium h2i+  
184 Ne Neon atom ne  
185 Ne- Neon atom anion ne-  
186 Ne+ Neon atom cation ne+  
187 Ar Argon atom ar  
188 Ar- Argon atom anion ar-  
189 Ar+ Argon atom cation ar+  
190 Fe Iron atom fe  
191 Kr Krypton atom kr  
192 Kr+ Krypton cation kr+  
193 Xe Xenon atom xe  
194 NeH neon hydrogen neh  
195 NeH+ neon hydrogen cation neh+  
196 KrH+ Protonated Krypton krh+  
197 XeH+ Xenon, protonated xeh+  
198 H2Ar H2 Ar dimer h2ar  
199 Co Cobalt atom cobalt  
200 Ni Nickel atom ni  
201 Li2 Lithium diatomic li2  
202 Li2- lithium diatomic anion li2-  
203 Li2+ lithium diatomic cation li2+  
204 NaLi- lithium sodium anion lina-  
205 NaLi+ lithium sodium cation lina+  
206 LiK Lithium Potassium lik  
207 Na2+ sodium diatomic cation na2+  
208 NaK Sodium Potassium nak  
209 NaK+ Sodium Potassium diatomic cation nak+  
210 K2 Potassium diatomic k2  
211 Cu2 Copper diatomic cu2  
212 LiBe Lithium Beryllium libe  
213 LiMg Lithium magnesium limg  
214 NaBe Sodium Beryllium nabe  
215 NaMg Sodium Magnesium namg  
216 Be2 Beryllium diatomic be2  
217 Be2- Beryllium diatomic anion be2-  
218 Be2+ Beryllium diatomic cation be2+  
219 BeMg Beryllium Magnesium bemg  
220 Mg2 Magnesium diatomic mg2  
221 Mg2- magnesium diatomic anion mg2-  
222 Mg2+ magnesium diatomic cation mg2+  
223 Ca2 Calcium diatomic ca2  
224 LiB Lithium boride lib  
225 NaAl Sodium aluminum naal  
226 BeB Beryllium monoboride beb  
227 B2 Boron diatomic b2  
228 B2- Boron diatomic anion b2-  
229 B2+ Boron diatomic cation b2+  
230 BAl Boron Aluminum bal  
231 Al2 Aluminum diatomic al2  
232 Al2- aluminum diatomic anion al2-  
233 Al2+ aluminum diatomic cation al2+  
234 BGa Boron Gallium bga  
235 AlGa Aluminum Gallium alga  
236 Ga2 Gallium diatomic ga2  
237 LiBH4 Lithium borohydride libh4  
238 HBHHBH Diborane(4) C2V hbhhbh  
239 Al2H6 dialane al2h6  
240 Ga2H6 digallane ga2h6  
241 LiC Lithium Carbide lic  
242 BeC Beryllium Carbide bec  
243 CaC Calcium monocarbide cac  
244 BC boron monocarbide bc  
245 BC- boron monocarbide anion bc-  
246 BC+ boron monocarbide cation bc+  
247 AlC Aluminum carbide alc  
248 BSi Boron silicide bsi  
249 C2 Carbon diatomic c2  
250 C2- carbon diatomic anion c2-  
251 C2+ carbon diatomic cation c2+  
252 SiC silicon monocarbide sic  
253 SiC- silicon monocarbide anion sic-  
254 SiC+ silicon monocarbide cation sic+  
255 Si2 Silicon diatomic si2  
256 Si2- silcon diatomic anion si2-  
257 Si2+ silcon diatomic cation si2+  
258 Ge2 Germanium diatomic ge2  
259 C2H Ethynyl radical c2h  
260 C2H+ Ethynyl cation c2h+  
261 ZnCH2 Zinc methylene znch2  
262 CCH2 vinylidene vinylidene  
263 H2CC- vinylidene anion h2cc-  
264 HCCH- acetylene anion c2h2-  
265 CuCH3 monomethyl copper cuch3  
266 ZnCH3 Zinc monomethyl znch3  
267 CH2BH methyleneborane ch2bh  
268 C2H3 vinyl c2h3  
269 C2H3- vinyl anion c2h3-  
270 C2H4- Ethylene anion c2h4-  
271 C2H4+ Ethylene cation c2h4+  
272 CH3CH methylmethylene ch3ch  
273 CH2SiH2 silaethylene ch2sih2  
274 CH3BH2 methylborane ch3bh2  
275 C2H5 Ethyl radical c2h5  
276 C2H5- Ethyl anion c2h5-  
277 C2H5+ Ethyl cation c2h5+  
278 C2H6+ ethane cation c2h6+  
279 CH3SiH3 methyl silane ch3sih3  
280 GeH3CH3 methyl germane geh3ch3  
281 C2H7+ Ethane, protonated c2h7+  
282 LiN+ Lithium Nitride cation lin+  
283 BeN Beryllium mononitride ben  
284 BeN- Beryllium mononitride anion ben-  
285 BeN+ Beryllium mononitride cation ben+  
286 BN- boron nitride anion bn-  
287 AlN- aluminum mononitride anion aln-  
288 AlN+ aluminum mononitride cation aln+  
289 BP Boron monophosphide bp  
290 AlP Aluminum monophosphide alp  
291 GaN Gallium mononitride gan  
292 GaP Gallium monophosphide gap  
293 BN boron nitride bn  
294 BN+ boron nitride cation bn+  
295 AlN Aluminum nitride aln  
296 CN- cyanide anion cn-  
297 CN+ Cyano cation cn+  
298 CP Carbon monophosphide cp  
299 CP- carbon monophosphide anion cp-  
300 CP+ carbon monophosphide cation cp+  
301 SiN Silicon nitride sin  
302 SiN- silicon mononitride anion sin-  
303 SiN+ silicon mononitride cation sin+  
304 SiP- Silicon monophosphide anion sip-  
305 SiP+ Silicon monophosphide cation sip+  
306 TiN Titanium mononitride tin  
307 N2+ diatomic nitrogen cation n2+  
308 PN- phosphorus nitride anion pn-  
309 PN+ phosphorus nitride cation pn+  
310 P2 Phosphorus diatomic p2  
311 P2- phosphorus diatomic anion p2-  
312 P2+ phosphorus diatomic cation p2+  
313 AsN Arsenic mononitride asn  
314 AsP Arsenic monophosphide asp  
315 SbN Antimony nitride sbn  
316 As2 Arsenic diatomic as2  
317 HNB hydrogen nitrogen boron hnb  
318 HNC hydrogen isocyanide hnc  
319 HCN- Hydrogen cyanide anion hcn-  
320 HCN+ hydrogen cyanide cation hcn+  
321 HCP Phosphaethyne hcp  
322 NNH Dinitrogen monohydride nnh  
323 HPO Hydrogen phosphorus oxide hpo  
324 HPO+ Hydrogen phosphorus oxide cation hpo+  
325 HBNH Boranimine hbnh  
326 CNH2 Aminomethylidyne radical cnh2  
327 CNH2+ N-protonated hydrogen isocyanide cnh2+  
328 H2CN Dihydrogen cyanide radical h2cn  
329 H2CN+ hydrocyanonium cation h2cn+  
330 HCNH methyleneazane hcnh  
331 HCNH+ N-protonated HCN hcnh+  
332 N2H2 (E)-diazene n2h2  
333 N2H2 (Z)-Diazene n2h2z  
334 N2H2+ trans-diazene cation n2h2+  
335 CH2PH Phosphaethene ch3p  
336 CH2NH2+ methyleneamine cation ch2nh2+  
337 N2H4 Hydrazine n2h4  
338 N2H4+ hydrazine cation n2h4+  
339 P2H4 Diphosphine p2h4  
340 CH3NH2+ methyl amine cation ch3nh2+  
341 CH3PH2 Methyl phosphine ch3ph2  
342 N2H5+ protonated hydrazine n2h5+  
343 CH3NH3 methyl ammonium radical ch3nh3  
344 CH3NH3+ protonated methylamine ch3nh3+  
345 CH3PH3+ methyl phosphine, protonated ch3ph3+  
346 NH3NH3 Ammonia Dimer nh3nh3  
347 N2H7+ ammonia ammonium dimer n2h7+  
348 LiO lithium oxide lio  
349 LiO- lithium oxide anion lio-  
350 LiO+ lithium oxide cation lio+  
351 LiS Lithium monosulfide lis  
352 LiS+ Lithium sulfide cation lis+  
353 NaO sodium monoxide nao  
354 NaO- sodium oxide anion nao-  
355 NaO+ sodium oxide cation nao+  
356 KO Potassium monoxide ko  
357 KO+ Potassium monoxide cation ko+  
358 NaS Sodium sulfide nas  
359 CuO Copper Monoxide cuo  
360 BeO beryllium oxide beo  
361 BeO- Beryllium monoxide anion beo-  
362 BeO+ Beryllium monoxide cation beo+  
363 BeS beryllium sulfide bes  
364 MgO magnesium oxide mgo  
365 MgO- magnesium oxide anion mgo-  
366 MgO+ magnesium oxide cation mgo+  
367 CaO Calcium monoxide cao  
368 MgS magnesium sulfide mgs  
369 MgS- magnesium sulfide anion mgs-  
370 MgS+ magnesium sulfide cation mgs+  
371 CaS Calcium sulfide cas  
372 ZnO zinc monoxide zno  
373 ZnS Zinc sulfide zns  
374 BeS- Beryllium monosulfide anion bes-  
375 BeS+ Beryllium monosulfide cation bes+  
376 BO boron monoxide bo  
377 BO- boron monoxide anion bo-  
378 AlO Aluminum monoxide alo  
379 AlO- Aluminum monoxide anion alo-  
380 AlO+ aluminum monoxide cation alo+  
381 BS boron sulfide bs  
382 BS- boron monosulfide anion bs-  
383 BS+ boron monosulfide cation bs+  
384 AlS Aluminum sulfide als  
385 AlS- aluminum monosulfide anion als-  
386 AlS+ aluminum monosulfide cation als+  
387 ScO Scandium monoxide sco  
388 BO+ boron monoxide cation bo+  
389 CS carbon monosulfide cs  
390 CS- carbon monosulfide anion cs-  
391 CS+ carbon monosulfide cation cs+  
392 SiO- silicon monoxide anion sio-  
393 SiO+ silicon monoxide cation sio+  
394 SiS- silicon monosulfide anion sis-  
395 SiS+ silicon monosulfide cation sis+  
396 TiO Titanium monoxide tio  
397 CSe- Carbon monoselenide anion cse-  
398 CSe+ Carbon monoselenide cation cse+  
399 GeO+ Germanium monoxide cation geo+  
400 GeS Germanium monosulfide ges  
401 NO+ nitric oxide cation no+  
402 NS Mononitrogen monosulfide ns  
403 NS- nitrogen sulfide anion ns-  
404 NS+ nitrogen sulfide cation ns+  
405 PO Phosphorus monoxide po  
406 PO- phosphorus monoxide anion po-  
407 PO+ phosphorus monoxide cation po+  
408 PS- phosphorus monosulfide anion ps-  
409 PS+ phosphorus monosulfide cation ps+  
410 VO Vanadium monoxide vo  
411 AsO Arsenic monoxide aso  
412 NSe Nitrogen monoselenide nse  
413 AsS Arsenic monosulfide ass  
414 PSe Phosphorus monoselenide pse  
415 AsSe Arsenic monoselenide asse  
416 O2+ diatomic oxygen cation o2+  
417 SO- sulfur monoxide anion so-  
418 S2- sulfur diatomic anion s2-  
419 S2+ sulfur diatomic cation s2+  
420 SeO- selenium monoxide anion seo-  
421 SeO+ selenium monoxide cation seo+  
422 SeS Selenium monosulfide ses  
423 SeS- selenium monosulfide anion ses-  
424 SeS+ selenium monosulfide cation ses+  
425 TeO Tellurium monoxide teo  
426 Se2- selenium diatomic anion se2-  
427 Se2+ selenium diatomic cation se2+  
428 Te2 Tellurium diatomic te2  
429 LiOH lithium hydroxide lioh  
430 NaOH sodium hydroxide naoh  
431 KOH Potassium hydroxide koh  
432 MgOH magnesium hydroxide mgoh  
433 CaOH Calcium monohydroxide caoh  
434 HBO Boron hydride oxide hbo  
435 COH+ Carbon Monoxide, protonated coh+  
436 HCO- formyl anion hco-  
437 HCS Thioformyl radical hcs  
438 HCS- Thioformyl anion hcs-  
439 HCS+ Thioformyl cation hcs+  
440 HNO- Nitrosyl hydride anion hno-  
441 NOH Hydroxyimidogen noh  
442 NOH+ O-protonated nitric oxide noh+  
443 HNS Sulfur imide hns  
444 HNS- Sulfur imide anion hns-  
445 HO2 Hydroperoxy radical ho2  
446 HO2- Hydroperoxy anion ho2-  
447 HO2+ Hydroperoxy cation ho2+  
448 HS2 Thiosulfeno radical hs2  
449 HOCH hydroxycarbene hoch  
450 H2CS- thioformaldehyde anion h2cs-  
451 H2CS+ thioformaldehyde cation h2cs+  
452 H2NO nitroxide h2no  
453 H2O2+ Hydrogen peroxide cation h2o2+  
454 H2S2 Disulfane h2s2  
455 H2S2+ hydrogen disulfide cation h2s2+  
456 CH2OH Hydroxymethyl radical ch2oh  
457 CH2OH+ hydroxymethyl cation ch2oh+  
458 CH3O Methoxy radical ch3o  
459 CH3O- methoxy anion ch3o-  
460 CH3O+ Methoxy cation ch3o+  
461 CH3S thiomethoxy ch3s  
462 H2CSH+ Thioformaldehyde, protonated h2csh+  
463 NH3O Ammonia Oxide nh3o  
464 H2POH Phosphinous acid h2poh  
465 H3PO Phosphine oxide h3po  
466 NH3S sulfidoazane nh3s  
467 H3O2+ hydrogen peroxide, protonated h3o2+  
468 CH3OH- Methyl alcohol anion ch3oh-  
469 CH3SH+ Methanethiol cation ch3sh+  
470 CH3SeH Methane selenol ch3seh  
471 H2OH2O water dimer h2oh2o  
472 CH3OH2+ Methanol, protonated ch3oh2+  
473 CH3SH2+ protonated methylsulfide ch3sh2+  
474 H2ONH3 Water Ammonia Dimer h2onh3  
475 H5O2+ Dihydroxonium ion h5o2+  
476 LiCl- lithium chloride anion licl-  
477 LiCl+ lithium chloride cation licl+  
478 NaF sodium fluoride naf  
479 NaF- sodium fluoride anion naf-  
480 KF Potassium Fluoride kf  
481 NaCl Sodium Chloride nacl  
482 NaCl- sodium chloride anion nacl-  
483 NaCl+ sodium chloride cation nacl+  
484 KCl Potassium Chloride kcl  
485 CuF Copper monofluoride cuf  
486 LiBr- lithium bromide anion libr-  
487 LiBr+ lithium bromide cation libr+  
488 CuCl Copper monochloride cucl  
489 NaBr Sodium Bromide nabr  
490 NaBr- sodium bromide anion nabr-  
491 NaBr+ sodium bromide cation nabr+  
492 KBr Potassium Bromide kbr  
493 LiI Lithium Iodide lii  
494 NaI Sodium Iodide nai  
495 KI Potassium Iodide ki  
496 LiF- lithium fluoride anion lif-  
497 BeF Beryllium monofluoride bef  
498 BeF- Beryllium monofluoride anion bef-  
499 BeF+ Beryllium monofluoride cation bef+  
500 BeCl beryllium monochloride becl  
501 MgF Magnesium monofluoride mgf  
502 MgF- magnesium fluoride anion mgf-  
503 MgF+ magnesium fluoride cation mgf+  
504 CaF Calcium monofluoride caf  
505 MgCl magnesium monochloride mgcl  
506 MgCl- magnesium monochloride anion mgcl-  
507 MgCl+ magnesium monochloride cation mgcl+  
508 CaCl calcium monochloride cacl  
509 TiCl Titanium Monochloride ticl  
510 ZnF Zinc monofluoride znf  
511 ZnF- Zinc monofluoride anion znf-  
512 ZnF+ Zinc monofluoride cation znf+  
513 ZnCl Zinc monochloride zncl  
514 CaBr Calcium monobromide cabr  
515 BeCl- beryllium monochloride anion becl-  
516 BeCl+ beryllium monochloride cation becl+  
517 BF- Boron monofluoride anion bf-  
518 BF+ Boron monofluoride cation bf+  
519 AlF- Aluminum monofluoride anion alf-  
520 AlF+ Aluminum monofluoride cation alf+  
521 BCl boron monochloride bcl  
522 BCl- boron monochloride anion bcl-  
523 BCl+ boron monochloride cation bcl+  
524 AlCl Aluminum monochloride alcl  
525 AlCl- aluminum monochloride anion alcl-  
526 AlCl+ aluminum monochloride cation alcl+  
527 ScF Scandium monofluoride scf  
528 BBr Boron monobromide bbr  
529 GaF+ Gallium monofluoride cation gaf+  
530 GaCl+ Gallium monochloride cation gacl+  
531 AlI Aluminum monoiodide ali  
532 CF- carbon monofluoride anion cf-  
533 CF+ carbon monofluoride cation cf+  
534 CCl carbon monochloride ccl  
535 CCl- carbon monochloride anion ccl-  
536 CCl+ carbon monochloride cation ccl+  
537 SiF silicon monofluoride sif  
538 SiF- silicon monofluoride anion sif-  
539 SiF+ silicon monofluoride cation sif+  
540 SiCl- silicon monochloride anion sicl-  
541 SiCl+ silicon monochloride cation sicl+  
542 CBr Carbon monobromide cbr  
543 GeF+ Germanium monofluoride cation gef+  
544 SiBr Silicon monobromide sibr  
545 NF nitrogen fluoride nf  
546 NF- nitrogen monofluorine anion nf-  
547 NF+ nitrogen monofluoirde cation nf+  
548 NCl nitrogen monochloride ncl  
549 NCl- nitrogen monochloride anion ncl-  
550 NCl+ nitrogen monochloride cation ncl+  
551 PF phosphorus monofluoride pf  
552 PF- phosphorus monofluoride anion pf-  
553 PF+ phosphorus monofluoride cation pf+  
554 PCl phosphorus chloride pcl  
555 PCl- phosphorus monochloride anion pcl-  
556 PCl+ phosphorus monochloride cation pcl+  
557 AsF Arsenic monofluoride asf  
558 NBr nitrogen monobromide nbr  
559 AsCl Arsenic monochloride ascl  
560 SbF Antimony monofluoride sbf  
561 SbCl Antimony monochloride sbcl  
562 FO Oxygen monofluoride fo  
563 FO- flourine oxide anion fo-  
564 FO+ fluorine monoxide cation fo+  
565 ClO- chlorine monoxide anion clo-  
566 SF- sulfur monofluoride anion sf-  
567 SCl sulfur monochloride scl  
568 SCl- sulfur monochloride anion scl-  
569 BrO- Bromine monoxide anion bro-  
570 SeF Selenium monofluoride sef  
571 SeCl Selenium monochloride secl  
572 IO Iodine monoxide io  
573 ClF Chlorine monofluoride clf  
574 ClF- clorine monofluoride anion clf-  
575 Cl2- chlorine diatomic anion cl2-  
576 BrF- bromine fluoride anion brf-  
577 BrF+ bromine fluoride cation brf+  
578 BrCl- bromine chloride anion brcl-  
579 BrCl+ bromine chloride cation brcl+  
580 IF Iodine monofluoride if  
581 ICl Iodine monochloride icl  
582 IBr Iodine monobromide ibr  
583 I2 Iodine diatomic i2  
584 I2+ Iodine diatomic cation i2+  
585 HCCl Chloromethylene hccl  
586 CHBr bromomethylene chbr  
587 DOCl Hypochlorous acid-d docl  
588 HOBr Hypobromous acid hobr  
589 HOBr+ Hypobromous acid cation hobr+  
590 HOI Hypoiodous acid hoi  
591 F2H+ Fluorine, protonated f2h+  
592 FHF Hydrogen difluoride fhf  
593 FHF- Hydrogen difluoride anion fhf-  
594 Cl2H+ Chlorine, protonated cl2h+  
595 CH2F fluoromethyl radical ch2f  
596 NH2F monofluoroamine nh2f  
597 H2F2 Hydrogen fluoride dimer h2f2  
598 CD3F methylfluoride-d3 cd3f  
599 CD3Cl methyl chloride d3 cd3cl  
600 SiH3Br bromosilane sih3br  
601 CH3I methyl iodide ch3i  
602 SiH3I Silyl Iodide sih3i  
603 CH3ClH+ methyl chloride, protonated ch3clh+  
604 LiNe+ Lithium Neon cation line+  
605 Ne2 Neon diatomic ne2  
606 Ne2+ Neon diatomic cation ne2+  
607 Ar2+ Argon diatomic cation ar2+  
608 Li3 Lithium trimer li3  
609 Li3+ Lithium trimer cation li3+  
610 C3 carbon trimer c3  
611 C3+ carbon trimer cation c3+  
612 C3H3 cyclopropenyl radical cpr  
613 C3H3 Propargyl radical propargyl  
614 C3H3- Propargyl anion c3h3-  
615 C3H3+ cyclopropenyl cation cpr+  
616 C3H3+ Propargyl cation c3h3+  
617 C3H5 Allyl radical allyl  
618 C3H5+ Allyl cation allyl+  
619 CH3CHCH 1-propenyl radical ch3chch  
620 Zn(CH3)2 dimethyl zinc dmz  
621 C3H7+ cyclopropane, protonated c3h7+  
622 CH3CHCH3 Isopropyl radical isopropyl  
623 CH3CHCH3+ Isopropyl cation prop2yl+  
624 SiH2(CH3)2 dimethylsilane dms  
625 LiCN lithium cyanide licn  
626 NaCN Sodium Cyanide nacn  
627 KCN Potassium cyanide kcn  
628 CuCN Copper cyanide cucn  
629 ZnCN Zinc monocyanide zncn  
630 ZnNC Zinc isocyanide znnc  
631 CN2 3H-Diazirin-3-ylidene cn2  
632 NCN Cyanoimidogen ncn  
633 N3 azide radical n3  
634 N3- azide anion n3-  
635 N3+ azide cation n3+  
636 HCCN cyanomethylene hccn  
637 HCNN diazomethyl radical hcnn  
638 CH2N2 diazirine ch2n2  
639 CH2NN diazomethane ch2nn  
640 NH2CN cyanamide cyanamide  
641 CH3CN+ Acetonitrile cation ch3cn+  
642 CH3NC methyl isocyanide ch3nc  
643 CHNCH2 2H-Azirine c157164  
644 CHNHCH 1H-Azirine chnhch  
645 H2CCNH Ethenimine ch2cnh  
646 H2CNCH methyleneaminomethylene ch2nch  
647 HCCNH2 Ethynamine hccnh2  
648 HNCNH2+ diiminomethane, protonated hncnh2+  
649 NCNH3+ Cyanamide, protonated ncnh3+  
650 CH2CHNH vinylazine ch2chnh  
651 CH3CHN methylmethaniminyl radical ch3chn  
652 NHCHNH2 aminomethanimine cn2h4  
653 C2H5N Aziridine c2h5n  
654 CH2CHNH2 aminoethene aminoethene  
655 CH2NCH3 N-methylmethanimine nmm  
656 CH3CHNH ethanimine ethanimine  
657 NH2BHNH2 diaminoborane nh2bhnh2  
658 C2H5NH+ Protonated Aziridine c2h5nh+  
659 C2H6N+ aziridine, protonated c2h6n+  
660 NH2CH2NH2 diaminomethane nh2ch2nh2  
661 CH3CH2NH2 Ethylamine etam  
662 CH3NHCH3 Dimethylamine ch3nhch3  
663 CH3PHCH3 dimethylphosphine ch3phch3  
664 NH2CH2NH3+ diaminoethane, protonated pdam  
665 (CH3)2NH2+ dimethylammonium cation dmam  
666 CH3CH2NH3+ ethylamine, protonated pea  
667 Li2O dilithium oxide li2o  
668 Li2O+ dilithium oxide cation li2o+  
669 Li2S dilithium sulfide li2s  
670 Na2O disodium monoxide na2o  
671 CCO Dicarbon monoxide cco  
672 CNO- fulminate cno-  
673 NCO isocyanato radical nco  
674 NCO- cyanate nco-  
675 SCN thiocyanato radical scn  
676 SCN- thiocyanide anion scn-  
677 BO2 Boron dioxide bo2  
678 BO2- Boron dioxide anion bo2-  
679 BO2+ Boron dioxide cation bo2+  
680 N2O- Nitrous oxide anion n2o-  
681 N2O+ Nitrous oxide cation n2o+  
682 NNS Nitrogen sulfide nns  
683 PPO Phosphorus oxide phosphide ppo  
684 CO2- Carbon dioxide anion co2-  
685 CO2+ Carbon dioxide cation co2+  
686 OCS+ Carbonyl sulfide cation cos+  
687 SiO2 silicon dioxide sio2  
688 CS2- Carbon disulfide anion cs2-  
689 CS2+ Carbon disulfide cation cs2+  
690 TiO2 Titanium dioxide tio2  
691 SiS2 Silicon disulfide sis2  
692 GeS2 Germanium disulfide ges2  
693 CSe2 Carbon diselenide cse2  
694 SCTe Carbon sulfide Telluride scte  
695 NO2- Nitrogen dioxide anion no2-  
696 NO2+ Nitrogen dioxide cation no2+  
697 PO2 Phosphorus dioxide po2  
698 PO2- Phosphorus dioxide anion po2-  
699 PO2+ Phosphorus dioxide cation po2+  
700 AsO2 Aresenic dioxide aso2  
701 O3 Ozone o3  
702 O3- Ozone anion o3-  
703 O3+ Ozone cation o3+  
704 SO2- Sulfur dioxide anion so2-  
705 SO2+ Sulfur dioxide cation so2+  
706 S3- Sulfur trimer anion s3-  
707 S3+ Sulfur trimer cation s3+  
708 SeO2+ Selenium dioxide cation seo2+  
709 TeO2 Tellurium Dioxide teo2  
710 CS2H+ Carbon disulfide, protonated cs2h+  
711 HNCO Isocyanic acid hnco  
712 HOCN cyanic acid hocn  
713 HNCS Isothiocyanic acid hncs  
714 HSCN thiocyanic acid hscn  
715 HCO2- formate anion hco2-  
716 HNNO nitrosoazane hnno  
717 HNNO+ Nitrous oxide, N-protonated hnno+  
718 NNOH+ Nitrous Oxide, O-protonated nnoh+  
719 HCOO formate neutral radical hcoo  
720 HOCO+ Hydrocarboxyl cation hoco+  
721 HNO2 Nitrous acid hno2  
722 HNO2+ nitrous acid cation hno2+  
723 SO2H+ protonated sulfur dioxide so2h+  
724 CH2CO+ Ketene cation ch2co+  
725 HCCOH ethynol hccoh  
726 Be(OH)2 Beryllium hydroxide beo2h2  
727 Mg(OH)2 Magnesium dihydroxide h2mgo2  
728 NH2NO Nitrosamide nh2no  
729 H2COO Dioxymethyl radical h2coo  
730 H2COO+ dioxymethyl cation h2coo+  
731 H2O3 Hydrogen trioxide h2o3  
732 HSSSH trisulfane hsssh  
733 NaOCH3 Sodium methoxide naoch3  
734 CH2BOH hydroxy(methylene)borane ch2boh  
735 CH3BO Borane, methyloxo- ch3bo  
736 CH2CHO Vinyloxy radical ch2cho  
737 CH2COH+ ketene, protonated ch2coh+  
738 CH3CO Acetyl radical ch3co  
739 CH3CO- Acetyl anion ch3co-  
740 CH3CO+ acetyl cation ch3co+  
741 CH2NOH formaldoxime ch2noh  
742 CH3NO nitrosomethane ch3no  
743 CHONH2 formamide formamide  
744 CNOH3 1,2-oxaziridine cnoh3  
745 HOCHNH hydroxymethylimine hochnh  
746 CHSNH2 thioformamide chsnh2  
747 CH2OOH CH2OOH radical ch2ooh  
748 CH3OO methylperoxy radical ch3oo  
749 CH3OO- methylperoxy anion ch3oo-  
750 CH3OO+ methylperoxy cation ch3oo+  
751 CH2CHOH ethenol ch2choh  
752 CH2CHSH Ethenethiol ch2chsh  
753 H2CONH2+ protonated formamide h2conh2+  
754 NH3CHO+ Formamide, N-Protonated nh3cho+  
755 CH2(OH)2 methanediol ch2o2h2  
756 CH3OOH Methyl peroxide ch3ooh  
757 H2OH2CO water formaldehyde dimer h2oh2co  
758 C2H4OH+ ethylene oxide, protonated c2h4oh+  
759 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
760 CH3CH2O Ethoxy radical ethoxy  
761 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
762 CH3CHOH+ acetaldehyde, protonated ch3choh+  
763 CH3OCH2 methoxymethyl radical ch3och2  
764 NH2CH2OH aminomethanol nh2ch2oh  
765 CH3SCH3+ dimethyl sulfide cation mesme+  
766 CH3SeCH3 dimethylselenide dmse  
767 CH3OHH2O methanol water dimer ch3ohh2o  
768 H2OCH3OH water methanol dimer h2och3oh  
769 CuF2 Copper difluoride cuf2  
770 ZnF2 Zinc difluoride znf2  
771 CNF iso cyanogen fluoride cnf  
772 FCN Cyanogen fluoride fcn  
773 ClCN chlorocyanogen clcn  
774 ICN Cyanogen iodide icn  
775 BeF2 Beryllium fluoride bef2  
776 MgF2 Magnesium fluoride mgf2  
777 BeCl2 Beryllium chloride becl2  
778 MgCl2 Magnesium dichloride mgcl2  
779 CaCl2 Calcium Chloride cacl2  
780 ZnCl2 Zinc dichloride zncl2  
781 CaBr2 Calcium dibromide cabr2  
782 CaF2 Calcium difluoride caf2  
783 FCO Carbonyl fluoride fco  
784 FCO+ Carbonyl fluoride cation fco+  
785 ClCO carbonyl monochloride clco  
786 BF2 Boron difluoride radical bf2  
787 FNS Thionitrosyl fluoride fns  
788 FSN Thiazyl fluoride fsn  
789 OPCl Phosphorus oxychloride opcl  
790 BrNO Nitrosyl bromide brno  
791 INO Nitrosyl iodide ino  
792 CF2- Difluoromethylene anion cf2-  
793 CF2+ Difluoromethylene cation cf2+  
794 CFCl chlorofluoromethylene cfcl  
795 SiF2+ Silicon difluoride cation sif2+  
796 CCl2 dichloromethylene ccl2  
797 CCl2- dichloromethylene anion ccl2-  
798 CCl2+ dichloromethylene cation ccl2+  
799 SiCl2 Dichlorosilylene sicl2  
800 GeF2 Germanium difluoride gef2  
801 CBr2 dibromomethylene cbr2  
802 FOO Dioxygen monofluoride radical foo  
803 ClOO chloroperoxy radical cloo  
804 ClOO+ chloroperoxy cation cloo+  
805 OClO- Chlorine dioxide anion oclo-  
806 OClO+ Chlorine dioxide cation oclo+  
807 ClSO Sulfur chloride oxide clso  
808 ClS2 Sulfur chloride cls2  
809 NF2 Difluoroamino radical nf2  
810 NF2+ Difluoroamino cation nf2+  
811 FClO chlorosyl fluoride fclo  
812 F2O Difluorine monoxide f2o  
813 ClOF Chlorine hypofluorite clof  
814 SF2- sulfur difluoride anion sf2-  
815 SF2+ sulfur difluoride cation sf2+  
816 Cl2O Dichlorine monoxide cl2o  
817 SCl2 Sulfur dichloride scl2  
818 BrOCl Bromine hypochlorite brocl  
819 BrOBr Bromine oxide brobr  
820 F3- trifluoride anion f3-  
821 Cl3- trichloride anion cl3-  
822 I3- triiodide i3-  
823 HCCF+ fluoroacetylene cation hccf+  
824 HCCCl Chloroacetylene hcccl  
825 HCCBr bromoacetylene hccbr  
826 HFCO formyl fluoride hfco  
827 HFCO+ formyl fluoride cation hfco+  
828 COHCl Formyl chloride cohcl  
829 COHBr Formyl bromide cohbr  
830 BHF2 Difluoroborane bhf2  
831 BHCl2 Borane, dichloro- bhcl2  
832 CHCl2 dichloromethyl radical chcl2  
833 CHBr2 dibromomethyl radical chbr2  
834 HOClO Chlorous acid hoclo  
835 CH2FCl fluorochloromethane ch2fcl  
836 CH2BrF Methane, bromofluoro- ch2fbr  
837 CH2FI fluoroiodomethane ch2fi  
838 CH2ClI chloroiodomethane ch2cli  
839 CH2BrI bromoiodomethane ch2bri  
840 CH2I2 Diiodomethane ch2i2  
841 SiH2Cl2 dichlorosilane sih2cl2  
842 CH2CHF+ fluoroethene cation ch2chf+  
843 C2H3Cl Ethene, chloro- ch2chcl  
844 C2H3Br vinyl bromide c2h3br  
845 C2H3I Vinyl iodide c2h3i  
846 CH3OCl methyl hypochlorite ch3ocl  
847 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
848 CHClCH3 1-chloroethyl radical chclch3  
849 C2H5F fluoroethane c2h5f  
850 CH3CH2Cl Ethyl chloride c2h5cl  
851 CH3SiFH2 fluoromethylsilane ch3sifh2  
852 C2H5I Ethyl iodide c2h5i  
853 KrF2 Krypton difluoride krf2  
854 XeF2 Xenon difluoride xef2  
855 B4H10 Tetraborane(10) b4h10  
856 C4+ Carbon tetramer cation c4+  
857 C4H2 Diacetylene c4h2  
858 C2H3CCH 1-Buten-3-yne c2h3cch  
859 C4H4 cyclobutadiene cbd  
860 H2CCCCH2 Butatriene h2cccch2  
861 C4H6 Cyclobutene c822355  
862 C4H6 Methylenecyclopropane c6142730  
863 CH2CCHCH3 1,2-Butadiene butad12  
864 CH2CHCHCH2 1,3-Butadiene c106990  
865 CH3CCCH3 2-Butyne c503173  
866 CHCCH2CH3 1-Butyne c107006  
867 CH3CHCHCH2 methylallyl radical c4h7  
868 C4H8 methylcyclopropane mcp  
869 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
870 CH2CHCH2CH3 1-Butene bute1  
871 CH3CHCHCH3 2-Butene, (E)- bute2e  
872 CH3CHCHCH3 2-Butene, (Z)- bute2z  
873 B(CH3)3 trimethylborane bme3  
874 Al(CH3)3 trimethyl aluminum tma  
875 C(CH3)3 Tert-butyl radical tbutyl  
876 CH2CH(CH3)2 Isobutyl radical isobutyl  
877 CH3CHCH2CH3 2-Butyl radical butyl2  
878 CH3CH(CH3)CH3 Isobutane isobutane  
879 CH3CH2CH2CH3 Butane butane  
880 SiH(CH3)3 trimethylsilane trimsi  
881 Li3N trilithium nitride li3n  
882 C2N2 Cyanogen c2n2  
883 C2N2+ Cyanogen cation c2n2+  
884 P4 Phosphorus tetramer p4  
885 HCCCN Cyanoacetylene hcccn  
886 HCCCN+ Cyanoacetylene cation hcccn+  
887 C3H3N acrylonitrile ch2chcn  
888 C3H3N+ acrylonitrile cation ch2chcn+  
889 CH3N3 methyl azide ch3n3  
890 NH2CCNH2 Diaminoacetylene daa  
891 NH2CH2CN Aminoacetonitrile aan  
892 CH3NHN2+ methyl azide, protonated ch3nhn2+  
893 CH5N3 Guanidine guanidine  
894 C4H6 Bicyclo[1.1.0]butane c157335  
895 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
896 CH6N3+ guanidinium ch6n3+  
897 C3H7N Cyclopropylamine cpram  
898 CH7N3 triaminomethane tam  
899 C3H7N Azetidine azet  
900 C4H8 cyclobutane cbutane  
901 C2H8N2 Ethylenediamine ethdiam  
902 CH3NHNHCH3 dimethyl hydrazine dmh  
903 CH3CH(NH2)CH3 2-Propanamine pram2  
904 N(CH3)3 Trimethylamine trimeam  
905 NH2CH2CH2CH3 1-Propanamine pram1  
906 P(CH3)3 trimethylphosphine tmp  
907 As(CH3)3 trimethyl arsine tmas  
908 (CH3)3NH+ protonated trimethyl amine ptma  
909 C3H7NH3+ n-propylamine, protonated c3h7nh2  
910 Li2O2 dilithium dioxide li2o2  
911 K2O2 dipotassium dioxide k2o2  
912 C3O Tricarbon monoxide c3o  
913 B2O2 Diboron dioxide b2o2  
914 S2N2 Disulfur dinitride s2n2  
915 CO3 Carbon trioxide co3  
916 CO3-- carbonate co3--  
917 CS3-- Carbonotrithioate cs3--  
918 NO3 Nitrogen trioxide no3  
919 NO3- nitrate anion no3-  
920 NO3+ nitrogen trioxide cation no3+  
921 SO3- Sulfur trioxide anion so3-  
922 SO3+ Sulfur trioxide cation so3+  
923 SeO3 selenium trioxide seo3  
924 TeO3 Tellurium trioxide teo3  
925 HCO3- bicarbonate anion hco3-  
926 HSO3 Hydroxysulfonyl radical hso3  
927 NH2NO2 nitramide nh2no2  
928 C2H2CO cyclopropenone c2h2co  
929 HCCCHO 2-propynal hcccho  
930 C2H2O2+ Ethanedial cation c2h2o2+  
931 H2CO3 Carbonic acid h2co3  
932 H2CS3 thiocarbonic acid h2cs3  
933 H2NO3+ Nitric Acid, Protonated h2no3+  
934 H2SO3 Sulfurous acid h2so3  
935 HOCH2CN cyanomethanol hoch2cn  
936 CH3COO- acetate anion ch3coo-  
937 CH3NO2 Methane, nitro- ch3no2  
938 CH3ONO Methyl nitrite ch3ono  
939 NH2COOH Carbamic acid nh2cooh  
940 H3BO3 Boric acid h3bo3  
941 H3CO3+ carbonic acid, protonated h3co3+  
942 C3H4O 2-Propyn-1-ol c107197  
943 C3H4O allenol c9000071  
944 C3H4O Cyclopropanone cpone  
945 C3H4O Methylketene c6004440  
946 NH2CONH2 Urea urea  
947 NH2CONH2+ Urea cation urea+  
948 NH2CSNH2 Thiourea thiourea  
949 C2H4O2 1,3-dioxetane c2h4o2  
950 CH3COOH Acetic acid ch3cooh  
951 CH3OCHO methyl formate ch3ocho  
952 CHOCH2OH hydroxy acetaldehyde haa  
953 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
954 NH3COOH+ protonated Carbamic acid nh3cooh+  
955 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
956 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
957 HCOOHH2O Formic acid water dimer hcoohh2o  
958 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
959 CH3COCH2 Acetonyl radical ch3coch2  
960 CH3CHNOH Acetaldoxime acetaldoxime  
961 CH3CONH2 Acetamide acetamide  
962 HCONHCH3 N-methylformamide nmfa  
963 CH5N2O+ urea, N-protonated ch4n2o+  
964 H2NCOHNH2+ urea, protonated ureah+  
965 C2H5OO ethylperoxy radical c2h5oo  
966 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
967 C3H5OH Cyclopropanol cproh  
968 C3H6O 2-Propen-1-ol c107186  
969 C3H6O Acetone enol enol  
970 C3H6O Oxetane oxetane  
971 C3H6O Propylene oxide prox  
972 CH3COCH3- acetone anion ch3coch3-  
973 C3H6S Thietane thietane  
974 C3H6S Thiirane, methyl- methiirane  
975 CH3CSCH3 Thioacetone ch3csch3  
976 C2H6O2 1,2-Ethanediol ethdiol  
977 CH3OOCH3 dimethylperoxide dmp  
978 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
979 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
980 CH3COHCH3+ acetone, protonated acetoneh+  
981 HOCH2CH2NH2 monoethanolamine mea  
982 CH3CHOHCH3 Isopropyl alcohol isoproh  
983 CH3OC2H5 Ethane, methoxy- etome  
984 C3H7SH 1-Propanethiol prsh  
985 CH3CHSHCH3 2-Propanethiol isoprsh  
986 CH3SCH2CH3 Ethane, (methylthio)- etsme  
987 H2OCH3OCH3 water dimethylether dimer h2och3och3  
988 Na2F2 Sodium Fluoride Dimer na2f2  
989 Na2Cl2 Disodium dichloride na2cl2  
990 C2F2 difluoroacetylene c2f2  
991 C2Cl2 dichloroacetylene c2cl2  
992 C2Cl2+ dichloroacetylene cation c2cl2+  
993 FNO2 Nitryl fluoride fno2  
994 FONO Nitrosyl hypofluorite fono  
995 ClNO2 Nitryl chloride clno2  
996 ClONO chlorine nitrite clono  
997 BrONO Bromine nitrite brono  
998 N2F2 (Z)-Difluorodiazene n2f2_z  
999 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1000 COFCl Carbonic chloride fluoride cofcl  
1001 CCl2O Phosgene cl2co  
1002 Cl2CS Thiophosgene cl2cs  
1003 COBr2 Carbonic dibromide cobr2  
1004 BF3 Borane, trifluoro- bf3  
1005 BF3- Borane, trifluoro- anion bf3-  
1006 AlF3 Aluminum trifluoride alf3  
1007 BClF2 Chlorodifluoroborane bclf2  
1008 AlF2Cl Aluminum chloride difluoride alclf2  
1009 ScF3 Scandium trifluoride ScF3  
1010 AlFCl2 Aluminum dichloride fluoride alcl2f  
1011 AlCl3 Aluminum trichloride alcl3  
1012 GaCl3 Gallium trichloride gacl3  
1013 BBr3 Boron tribromide bbr3  
1014 AlBr3 Aluminum Bromide albr3  
1015 ClO3 Chlorine trioxide clo3  
1016 ClO3- chlorate anion clo3-  
1017 BrO3- Bromate anion bro3-  
1018 CF3 Trifluoromethyl radical cf3  
1019 CF3- Trifluoromethyl anion cf3-  
1020 CF3+ Trifluoromethyl cation cf3+  
1021 SiF3 Silicon trifluoride radical sif3  
1022 SiF3+ Silicon trifluoride cation sif3+  
1023 CCl3 Trichloromethyl radical ccl3  
1024 CCl3- Trichloromethyl anion ccl3-  
1025 CCl3+ Trichloromethyl cation ccl3+  
1026 SiCl3 trichlorosilyl radical sicl3  
1027 SiCl3+ trichlorosilyl cation sicl3+  
1028 CBr3 tribromomethyl radical cbr3  
1029 FOOF Perfluoroperoxide foof  
1030 ClO2F Chloryl fluoride clo2f  
1031 F2SO Thionyl Fluoride f2so  
1032 ClOOCl Dichlorine dioxide cloocl  
1033 FSSF Difluorodisulfane fssf  
1034 S2F2 Thio-thionyl fluoride s2f2  
1035 SOCl2 thionyl chloride socl2  
1036 SeOCl2 selenium oxychloride seocl2  
1037 NF3- Nitrogen trifluoride anion nf3-  
1038 NF3+ Nitrogen trifluoride cation nf3+  
1039 PF3 Phosphorus trifluoride pf3  
1040 NCl3 nitrogen trichloride ncl3  
1041 AsF3 Arsenic trifluoride asf3  
1042 PCl3 Phosphorus trichloride pcl3  
1043 SbF3 Antimony Trifluoride sbf3  
1044 AsCl3 Arsenous trichloride ascl3  
1045 SbCl3 Antimony Trichloride sbcl3  
1046 PBr3 Phosphorus tribromide pbr3  
1047 AsBr3 Arsenic tribromide asbr3  
1048 NI3 Nitrogen triiodide ni3  
1049 PI3 Phosphorus triiodide pi3  
1050 ClSSCl Disulfur dichloride s2cl2  
1051 SF3 Sulfur trifluoride sf3  
1052 ClF3 Chlorine trifluoride clf3  
1053 BrF3 Bromine trifluoride brf3  
1054 IF3 iodone trifluoride if3  
1055 HClO3 Chloric Acid hclo3  
1056 CHF2Cl difluorochloromethane chf2cl  
1057 CHFCl2 fluorodichloromethane chfcl2  
1058 CDCl3 trichloromethane-d cdcl3  
1059 SiHCl3 Trichlorosilane sihcl3  
1060 CHF2I difluoroiodomethane chf2i  
1061 CHFClI fluorochloroiodomethane chfcli  
1062 CHCl2I dichloroiodomethane chcl2i  
1063 CHClBr2 Methane, dibromochloro- chclbr2  
1064 CHBr3 bromoform chbr3  
1065 CHI3 Iodoform chi3  
1066 NF3H+ protonated nitrogen trifluoride nf3h+  
1067 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1068 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1069 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1070 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1071 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1072 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1073 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1074 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1075 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1076 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1077 C2H2Br2 1,1-dibromoethene c2h2br2  
1078 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1079 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1080 CH2FCHO Fluoroacetaldehyde ch2fcho  
1081 CH3COF Acetyl fluoride ch3cof  
1082 CH2ClCHO chloroacetaldehyde ch2clcho  
1083 CH3COCl Acetyl Chloride ch3cocl  
1084 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1085 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1086 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1087 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1088 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1089 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1090 CH2CFCH3 2-fluoropropene 2fpro  
1091 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1092 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1093 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1094 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1095 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1096 CH3CHFCH3 2-Fluoropropane prf2  
1097 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1098 CH3CH2CH2Br n-propyl bromide prbr  
1099 CH3CHBrCH3 i-propyl bromide iprbr  
1100 C3H9O+ trimethyl oxonium cation c3h9o+  
1101 B5H9 pentaborane9 b5h9  
1102 C5H5 cyclopentadienyl radical c5h5  
1103 C5H5- cylopentadienyl anion c5h5-  
1104 C5H6 1,3-Cyclopentadiene c542927  
1105 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1106 C5H6 3-Penten-1-yne, (E)- c2004695  
1107 C5H6 3-Penten-1-yne, (Z)- c1574409  
1108 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1109 C5H6 Cyclopropylacetylene c6746947  
1110 C5H6 Propellane propellane  
1111 C5H7 1,3-pentadienyl radical pdyl  
1112 C5H7 cyclopentenyl radical cpyl  
1113 C5H8 1,2-Butadiene, 3-methyl- c598254  
1114 C5H8 1,2-Pentadiene c591957  
1115 C5H8 1,3-Butadiene, 2-methyl- c78795  
1116 C5H8 1,3-Pentadiene, (E)- c2004708  
1117 C5H8 1,3-Pentadiene, (Z)- c1574410  
1118 C5H8 1,4-Pentadiene c591935  
1119 C5H8 1-pentyne a1pentyne  
1120 C5H8 2,3-Pentadiene c591968  
1121 C5H8 Bicyclo[1.1.1]pentane bcp  
1122 C5H8 Cyclobutane, methylene- c1120565  
1123 C5H8 Cyclopentene c142290  
1124 C5H8 Ethenylcyclopropane c693867  
1125 CH3CCCH2CH3 2-Pentyne 2pentyne  
1126 C5H10 1-Butene, 2-methyl- c563462  
1127 C5H10 2-Butene, 2-methyl- c513359  
1128 C5H10 2-Pentene, (E)- c646048  
1129 C5H10 2-Pentene, (Z)- c627203  
1130 C5H10 Cyclopentane c287923  
1131 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1132 CH2CHCH2CH2CH3 1-pentene pentene  
1133 C5H11 2-Methylbut-2-yl radical c4348350  
1134 C5H12 Butane, 2-methyl- buta2  
1135 C5H12 Pentane pentane  
1136 C5H12 Propane, 2,2-dimethyl- neopentane  
1137 Si(CH3)4 tetramethylsilane tms  
1138 N2O3 Dinitrogen trioxide n2o3  
1139 C3H2N2 Malononitrile c3h2n2  
1140 CH2N4 1H-Tetrazole 1htz  
1141 C3H3N2 imidazolyl radical im  
1142 C3H3N2- imidizolyl anion im-  
1143 C2H3N3 1H-1,2,4-Triazole c288880  
1144 C4H4N pyrrolide radical c4h4n  
1145 C4H4N- pyrrolide anion c4h4n-  
1146 C3H4N2 1H-Imidazole 1himidaz  
1147 C3H4N2 1H-Pyrazole 1hpyraz  
1148 C3H4N2 2H-Imidazole imid2h  
1149 C3H4N2 4H-Imidazole imid4h  
1150 C4H5N (E)-2-Butenenitrile c627269  
1151 C4H5N (Z)-2-Butenenitrile c1190767  
1152 C4H5N 2H-pyrrole pyrrole2  
1153 C4H5N 3H-pyrrole pyrrole3  
1154 C4H5N Cyclopropanecarbonitrile c5500210  
1155 C4H5N Pyrrole pyrrole  
1156 CH2CHCH2CN Allylcyanide ch2chch2cn  
1157 C4H6N+ pyrrole, alpha-protonated appyr  
1158 C4H6N+ pyrrole, beta-protonated bppyr  
1159 C4H6N+ pyrrole, protonated ppyr  
1160 C3H6N2 3-Aminopropionitrile c151188  
1161 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1162 CH3CH2CH2CN Butanenitrile c109740  
1163 C5H8 Bicyclo[2.1.0]pentane c185944  
1164 C5H8 Spiropentane c157404  
1165 C4H9N Cyclobutylamine cbam  
1166 C4H9N Pyrrolidine pyrrolidine  
1167 C3H10N2 1,2-Diaminopropane diampr12  
1168 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1169 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1170 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1171 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1172 NH(C2H5)2 diethylamine dea  
1173 NC4H12+ tetramethyl ammonium cation nc4h12+  
1174 C3O2+ Carbon suboxide cation c3o2+  
1175 MgCO3 Magnesium Carbonate mgco3  
1176 BeCO3 Beryllium Carbonate beco3  
1177 CaCO3 Calcium Carbonate caco3  
1178 ONONO Nitrosyl nitrite onono  
1179 PO4--- phosphate po4---  
1180 SO4-- sulfate so4--  
1181 HOONO2 peroxy nitric acid hoono2  
1182 HSO4- bisulfate anion hso4-  
1183 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1184 C3H2O2 Propiolic acid c3h2o2  
1185 CHOCOOH oxo acetic acid oaa  
1186 H2SO4 Sulfuric acid h2so4  
1187 H2SeO4 Selenic acid h2seo4  
1188 C3H3NO Oxazole oxazole  
1189 CH3C(O)OO acetyl peroxy radical ch3coo2  
1190 CH3NO3 Methyl nitrate ch3no3  
1191 H3PO4 Phosphoric Acid h3po4  
1192 C4H4O+ Furan cation furan+  
1193 CH3COCCH 3-butyn-2-one c1423605  
1194 C4H4S Thiophene furans  
1195 C3H4O2 β–Propiolactone beta  
1196 C3H4O2 2-Propenoic acid propenoic2  
1197 C3H4O2 Methyl glyoxal megly  
1198 C3H4O2 propanedial propanedial  
1199 C3H4O2 propenalol propenalol  
1200 HOCHCCHOH allenediol aldiol  
1201 C2H4O3 1,2,3-trioxolane c2h4o3  
1202 C2H4O3 trioxolane124 triox  
1203 HOCH2COOH Hydroxyacetic acid hac  
1204 CH2CHCONH2 Acrylamide c79061  
1205 CH3OCH2CN Methoxyacetonitrile c1738369  
1206 CH5N3S Hydrazinecarbothioamide c79196  
1207 H2NCH2COOH Glycine glycine  
1208 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1209 C4H6O cis-2-butenal butenal2c  
1210 C4H6O Cyclobutanone cbutone  
1211 C4H6O Furan, 2,3-dihydro- furan23h  
1212 C4H6O Furan, 2,5-dihydro- furan25h  
1213 CH2CHOCHCH2 Vinyl ether vinylether  
1214 CHOCHCHCH3 2-Butenal butenal2  
1215 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1216 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1217 CH2CHSCHCH2 Divinyl sulfide divis  
1218 C2H6N2O Urea, methyl- c598505  
1219 C3H6O2 1,3-Dioxolane dioxolane  
1220 CH3CH2COOH Propanoic Acid propanoic  
1221 CH3COOCH3 methyl acetate aame  
1222 HCOOC2H5 Ethyl formate faee  
1223 C2H6O2S Dimethyl sulfone c67710  
1224 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1225 C3H7NO dimethylformamide dmf  
1226 C3H7NO Propanamide propanam  
1227 C2H3OC2H5 Ethene, ethoxy- c109922  
1228 C4H8O Cyclobutanol c2919235  
1229 C4H8O Furan, tetrahydro- thf  
1230 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1231 CH3COCH2CH3 2-Butanone buta2one  
1232 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1233 CHOCH2CH2CH3 Butanal butanal  
1234 C4H8S Thiophene, tetrahydro- tht  
1235 C3H8O2 1,3-Propanediol c504632  
1236 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1237 C3H8O2 Methane, dimethoxy- c109875  
1238 C3H8O2 Propylene glycol c57556  
1239 C3H8S2 1,3-Propanedithiol c109808  
1240 C4H10O 1-Butanol butanol1  
1241 C4H10O 1-Propanol, 2-methyl- c78831  
1242 C4H10O 2-Butanol, (.+/-.)- butanol2  
1243 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1244 C4H10O Methyl propyl ether meopr  
1245 C4H10O Propane, 2-methoxy- c598538  
1246 C4H10O+ 1-Butanol cation butanol1+  
1247 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1248 C2H5SC2H5 Diethyl sulfide etset  
1249 C4H9SH 1-Butanethiol bush  
1250 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1251 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1252 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1253 FNO3 Fluorine nitrate fno3  
1254 ClONO2 Chlorine nitrate clono2  
1255 BrONO2 Bromine nitrate brono2  
1256 TiCl4 Titanium tetrachloride ticl4  
1257 ClO4- perchlorate anion clo4-  
1258 BF4- tetrafluoroboron anion bf4-  
1259 ClFO3 Perchloryl fluoride clfo3  
1260 SO2F2 Sulfuryl fluoride so2f2  
1261 SO2Cl2 Sulfuryl chloride so2cl2  
1262 F3NO Nitrogen trifluoride oxide f3no  
1263 F3PO Phosphoryl fluoride pf3o  
1264 Cl3PO Phosphoryl chloride pcl3o  
1265 CF4 Carbon tetrafluoride cf4  
1266 SiF4 Silicon tetrafluoride sif4  
1267 TiF4 Titanium tetrafluoride tif4  
1268 CFCl3 Trichloromonofluoromethane cfcl3  
1269 CCl4+ Carbon tetrachloride cation ccl4+  
1270 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1271 SiCl4 Silane, tetrachloro- sicl4  
1272 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1273 CF3I trifluoroiodomethane cf3i  
1274 CBrCl3 Methane, bromotrichloro- cbrcl3  
1275 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1276 GeCl4 Germanium Tetrachloride gecl4  
1277 CBr2Cl2 dibromodichloromethane cbr2cl2  
1278 CCl3I trichloroiodomethane ccl3i  
1279 CFBr3 fluorotribromomethane cfbr3  
1280 CFClBrI fluorochlorobromoiodomethane cfclbri  
1281 CBr3Cl tribromochloromethane cbr3cl  
1282 CF2I2 difluorodiiodomethane cf2i2  
1283 CBr4 Carbon tetrabromide cbr4  
1284 CCl2I2 dichlorodiiodomethane ccl2i2  
1285 SiBr4 Silicon tetrabromide sibr4  
1286 CBr3I tribromoiododmethane cbr3i  
1287 GeBr4 Germanium tetrabromide gebr4  
1288 CI4 tetraiodomethane ci4  
1289 SiI4 silicon tetraiodide sii4  
1290 ClOF3 Chlorine trifluoride oxide clof3  
1291 SeF4 Selenium tetrafluoride sef4  
1292 SCl4 Sulfur tetrachloride scl4  
1293 C2HF3 Trifluoroethylene c2hf3  
1294 C2HF3+ Trifluoroethylene cation c2hf3+  
1295 CHClCCl2 Trichloroethylene chclccl2  
1296 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1297 HClO4 perchloric acid hclo4  
1298 HSO3F Fluorosulfonic acid hso3f  
1299 CF3OH trifluoromethanol cf3oh  
1300 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1301 CHClCCHCl 1,3-dichloroallene chclcchcl  
1302 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1303 CHCl2CHO dichloroacetaldehyde chcl2cho  
1304 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1305 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1306 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1307 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1308 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1309 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1310 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1311 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1312 NH3BCl3 Amminetrichloroboron nh3bcl3  
1313 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1314 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1315 C3H5ClO Oxirane, (chloromethyl)- c106898  
1316 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1317 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1318 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1319 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1320 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1321 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1322 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1323 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1324 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1325 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1326 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1327 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1328 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1329 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1330 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1331 C4H9F 1-fluorobutane butaf1  
1332 CH3CHFCH2CH3 2-fluorobutane butaf2  
1333 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1334 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1335 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1336 XeF4 Xenon tetrafluoride xef4  
1337 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1338 NH3BF3 Amminetrifluoroboron nh3bf3  
1339 C6H2 hexatriyne c6h2  
1340 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1341 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1342 C6H4 Benzyne benzyne  
1343 C6H5 phenyl phenyl  
1344 C6H5- phenyl anion phenyl-  
1345 C6H6 1,2,4,5-Hexatetraene ht1245  
1346 C6H6 2,4-Hexadiyne hexadiyne  
1347 C6H6 3,4-Dimethylenecyclobutene cb34m  
1348 C6H6 Benzvalene bv  
1349 C6H6 Hexa-1,5-diene-3-yne hdy153  
1350 C6H6 Trimethylenecycopropane tmcp  
1351 C6H6+ Benzene cation c6h6+  
1352 C6H7+ benzene, protonated c6h7+  
1353 C6H8 (E)-hexa-1,3,5-triene c821078  
1354 C6H8 (E)-hexa-2,3,4-triene c59660650  
1355 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1356 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1357 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1358 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1359 C6H8 3-Methylenecyclopentene c930267  
1360 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1361 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1362 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1363 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1364 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1365 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1366 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1367 C6H10 1,5-Hexadiene c592427  
1368 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1369 C6H10 1-Hexyne hexyne1  
1370 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1371 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1372 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1373 C6H10 2-Hexyne c764352  
1374 C6H10 3-Hexyne hexyne3  
1375 C6H10 cyclohexene cyclohexene  
1376 C6H10 Cyclopentene, 1-methyl- c693890  
1377 C6H10 Cyclopentene, 3-methyl- c1120623  
1378 C6H10 Cyclopentene, 4-methyl- c1759815  
1379 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1380 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1381 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1382 C6H12 (E)-2-Hexene e2hexene  
1383 C6H12 (E)-3-methylpent-2-ene c616126  
1384 C6H12 (E)-hex-3-ene e3hexene  
1385 C6H12 (Z)-3-methylpent-2-ene c922623  
1386 C6H12 (Z)-hex-2-ene z2hexene  
1387 C6H12 (Z)-hex-3-ene z3hexene  
1388 C6H12 2,3-dimethylbut-1-ene c563780  
1389 C6H12 2,3-dimethyl-but-2-ene tmeet  
1390 C6H12 3-methylenepentane c760214  
1391 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1392 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1393 C6H12 Cyclohexane cyclohexane  
1394 C6H12 Cyclopentane, methyl- c96377  
1395 C6H12 Ethylcyclobutane c4806615  
1396 C6H12 hex-1-ene hexene1  
1397 C6H14 Butane, 2,2-dimethyl- buta22  
1398 C6H14 Butane, 2,3-dimethyl- buta23  
1399 C6H14 Hexane hexane  
1400 C6H14 Pentane, 2-methyl- penta2  
1401 C6H14 Pentane, 3-methyl- penta3  
1402 C4N2 2-Butynedinitrile c4n2  
1403 C4H2N2 Fumaronitrile c4h2n2  
1404 C2H2N4 sym-tetrazine ttz  
1405 C3H3N3 1,3,5-Triazine triazine135  
1406 CH3N5 5-Aminotetrazole c4418615  
1407 C4H4N2 1,3-Diazine diazine13  
1408 C4H4N2 Pyrazine pyrazine  
1409 C4H4N2 Pyridazine pyridazine  
1410 C4H4N2 Succinonitrile c110612  
1411 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1412 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1413 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1414 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1415 C5H5N E-2,4-pentadienenitrile bdcn  
1416 C5H5N Pyridine pyridine  
1417 B3N3H6 borazine borazine  
1418 C6H6 Fulvene fulvene  
1419 C5H6N+ Pyridinium c5h6n  
1420 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1421 C5H7N (E)-2-Pentenenitrile c26294984  
1422 C5H7N (E)-3-Pentenenitrile c16529661  
1423 C5H7N (Z)-2-Pentenenitrile c25899507  
1424 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1425 C5H7N Cyclobutanecarbonitrile c4426113  
1426 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1427 C5H9N Butanenitrile, 2-methyl- c18936179  
1428 C5H9N Pentanenitrile c110598  
1429 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1430 C6H10 Bicyclo[3.1.0]hexane c285585  
1431 C5H11N Cyclopentanamine cypentam  
1432 C5H11N Piperidine piper  
1433 C4H12N2 1,2-Butanediamine c4426486  
1434 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1435 Li2CO3 Lithium Carbonate li2co3  
1436 Na2CO3 Sodium Carbonate na2co3  
1437 C2O4-- oxalate anion c2o4  
1438 MgSO4 Magnesium Sulfate mgso4  
1439 N2O4 Dinitrogen tetroxide n2o4  
1440 C2H2O4 Oxalic Acid oxalic  
1441 C2H3NO3 Oxamic acid oxamic  
1442 C4H4O2 2(5H)-Furanone furanone  
1443 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1444 C2H4N2O2 Oxalamide oxalamide  
1445 C2H4N2S2 Ethanedithioamide c79403  
1446 C2H4CO3 Ethylene carbonate etco3  
1447 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1448 C3H4S3 1,3-Dithiolane-2-thione c822388  
1449 C2H4O4 Formic acid dimer fadimer  
1450 C4H5NO 3-Methylisoxazole isox3m  
1451 C4H5NO Isoxazole, 5-methyl- c5765446  
1452 C4H5NS 4-Methylthiazole c693958  
1453 C2H5NO3 Nitric acid, ethyl ester c625581  
1454 C5H6O 2H-Pyran pyran2  
1455 C5H6O 2-methylfuran furan2m  
1456 C5H6O 3-Methylfuran furan3m  
1457 C5H6O Pentadienal pdal  
1458 C5H6S Thiophene, 2-methyl- c554143  
1459 C5H6S Thiophene, 3-methyl- c616444  
1460 C4H6O2 γ–Butyrolactone c96480  
1461 C4H6O2 2,3-Butanedione c431038  
1462 C4H6O2 2-Propenoic acid, methyl ester c96333  
1463 C4H6O2 Crotonic Acid crot  
1464 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1465 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1466 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1467 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1468 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1469 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1470 C4H6OS Vinyl sulfoxide c1115157  
1471 CH6N4S Carbonothioic dihydrazide thiacarb  
1472 C2H6N2O2 (E)-Azodioxymethane c37765154  
1473 C2H6N2O2 Dimethylnitroamine c4164287  
1474 C3H6O3 1,3,5-Trioxane trioxane  
1475 C3H6S3 1,3,5-Trithiane c3h6s3  
1476 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1477 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1478 C4H7NO 2-Pyrrolidinone c616455  
1479 C4H7NO Ethoxyacetonitrile etoaccn  
1480 C4H7NO Methacrylamide c79390  
1481 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1482 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1483 C3H7ONO Propyl nitrite prono  
1484 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1485 CH3CH(NH2)COOH Alanine alanine  
1486 CH3NHCH2COOH Sarcosine sarcosine  
1487 NH2CH2CH2COOH β–alanine betaalanine  
1488 NH2COOC2H5 Urethane urethane  
1489 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1490 C5H8O Cyclopentanone c120923  
1491 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1492 C5H8O Methyl cyclopropyl ketone c765435  
1493 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1494 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1495 NH2CONHC2H5 Urea, ethyl- c625525  
1496 C4H8O2 1,3-Dioxane dioxan13  
1497 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1498 C4H8O2 1,4-Dioxane dioxan14  
1499 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1500 C4H8OS s-Ethyl thioacetate c625605  
1501 C3H8O3 1,2,3-Propanetriol glycerin  
1502 C3H8O2S (Methylsulfonyl)ethane c594434  
1503 C4H9NO Butanamide c541355  
1504 C4H9NO Propanamide, 2-methyl- c563837  
1505 C5H10O 2-Butanone, 3-methyl- c563804  
1506 C5H10O 2H-Pyran, tetrahydro- c142687  
1507 C5H10O 2-methylbutyraldehyde 2meba  
1508 C5H10O 2-Pentanone mpk  
1509 C5H10O 3-Pentanone dek  
1510 C5H10O Cyclopentanol c96413  
1511 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1512 C5H10O Pentanal pal  
1513 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1514 C5H10S 3-Ethylthio-1-propene c5296628  
1515 C5H10S Cyclopentanethiol c1679078  
1516 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1517 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1518 C4H10O2 1,1-Dimethoxyethane c534156  
1519 C4H10O2 1,3-Butanediol budiol13  
1520 C4H10O2 1,4-Butanediol budiol14  
1521 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1522 C4H10OS Diethyl sulfoxide c70291  
1523 C4H10S2 1,4-Butanedithiol budisl14  
1524 C4H11NO Diethylhydroxylamine c3710847  
1525 C5H12O 1-Butanol, 2-methyl- c137326  
1526 C5H12O 1-Butanol, 3-methyl- c123513  
1527 C5H12O 1-Pentanol pentanol1  
1528 C5H12O 2-Butanol, 3-methyl- c598754  
1529 C5H12O 2-Pentanol peol2  
1530 C5H12O 3-Pentanol pentan3ol  
1531 C5H12O Butane, 1-methoxy- meobu  
1532 C5H12O Propane, 1-ethoxy- proet  
1533 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1534 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1535 C5H12S 1-Butanethiol, 3-methyl- c541311  
1536 C5H12S 1-Pentanethiol c110667  
1537 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1538 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1539 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1540 C5H12S Butane, 1-(methylthio)- c628295  
1541 C5H12S Ethyl propyl sulfide c4110503  
1542 C5H12S Propane, 2-(ethylthio)- c5145993  
1543 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1544 C4F2 difluorobutadiyne c4f2  
1545 ClCOClCO Oxalyl chloride oxcl  
1546 CF3CN Acetonitrile, trifluoro- cf3cn  
1547 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1548 B2F4 Diboron tetrafluoride b2f4  
1549 B2Cl4 Diboron tetrachloride b2cl4  
1550 C2F4 Tetrafluoroethylene c2f4  
1551 C2F4+ Tetrafluoroethylene cation c2f4+  
1552 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1553 CF2CCl2 difluorodichloroethylene cf2ccl2  
1554 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1555 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1556 C2FCl3 fluorotrichloroethene c2fcl3  
1557 C2Cl4 Tetrachloroethylene c2cl4  
1558 C2Br4 tetrabromoethene c2br4  
1559 CF3OF Trifluoromethylhypofluorite cf3of  
1560 SiF5- silicon pentafluoride anion sif5-  
1561 SOF4 Sulfur tetrafluoride oxide sof4  
1562 AsF5 Arsenic pentafluoride asf5  
1563 PCl5 Phosphorus pentachloride pcl5  
1564 SF5 Sulfur pentafluoride sf5  
1565 SF5+ pentafluoro sulfur cation sf5+  
1566 SbCl5 Antimony pentachloride sbcl5  
1567 BrF5 bromine pentafluoride brf5  
1568 ClF5 chlorinepentafluoride clf5  
1569 IF5 pentafluoroiodine if5  
1570 CF3CHO trifluoroacetaldehyde cf3cho  
1571 CCl3CHO trichloroacetaldehyde ccl3cho  
1572 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1573 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1574 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1575 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1576 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1577 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1578 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1579 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1580 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1581 CF3COOH trifluoroacetic acid cf3cooh  
1582 C4H3ClO Furan, 2-chloro fur2cl  
1583 C4H3ClO Furan,3-chloro fur3cl  
1584 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1585 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1586 C4H8Cl2 1,4-Dichlorobutane c110565  
1587 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1588 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1589 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1590 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1591 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1592 C5H11Cl Pentane, 1-chloro- pencl1  
1593 C4H8O2 Butanoic acid bua  
1594 C6H5CH2 benzyl radical benzyl  
1595 C7H7 cycloheptatrienyl radical c7h7  
1596 C7H7+ cycloheptatrienyl cation c7h7+  
1597 C6H5CH3 toluene toluene  
1598 C7H8 cycloheptatriene cht  
1599 C7H8 Norbornadiene norbor  
1600 C7H8 Quadricyclane qucy  
1601 C7H12 Norbornane nor  
1602 C7H14 cycloheptane c7h14  
1603 C7H16 2-methylhexane 2mhex  
1604 C7H16 3-methylhexane hex3m  
1605 C7H16 heptane heptane  
1606 CH(CN)3 tricyanomethane mecn3  
1607 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1608 C6H7N 2-Methylpyridine mp  
1609 C6H5NH2 aniline aniline  
1610 C6H13N 2-Methylpiperidine pip2m  
1611 C6H13N cyclohexanamine cham  
1612 C6H15N triethylamine tea  
1613 N2O5 Dinitrogen pentoxide n2o5  
1614 C4H2O3 Maleic Anhydride malan  
1615 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1616 C6H5O phenoxy radical phenoxy  
1617 C5H5NO 2(1H)-Pyridinone c72762006  
1618 C5H5NO 2(3H)-Pyridinone c9000048  
1619 C5H5NO 2(5H)-Pyridinone c9000037  
1620 C5H5NO 2-Pyridinol c109104  
1621 C5H5NO 3(2H)-Pyridinone c9000004  
1622 C5H5NO 3(4H)-Pyridinone c9000026  
1623 C5H5NO 3(6H)-Pyridinone c9000015  
1624 C5H5NO 3-Pyridinol c109002  
1625 C5H5NO 4(1H)-Pryidinone c9000060  
1626 C5H5NO 4(3H)-Pryidinone c9000059  
1627 C5H5NO 4-Pyridinol c626642  
1628 C6H5OH phenol phenol  
1629 C6H6O 2,4-Cyclohexadienone c24599573  
1630 C6H6O 2,5-Cyclohexadienone c5664335  
1631 C6H5SH Benzenethiol phsh  
1632 HO2CCHNH2CH2OH Serine serine  
1633 C5H8O2 Acetylacetone acac  
1634 C4H8O2S Sulfolane sulfolane  
1635 C7H10 Norbornene norbornene  
1636 CH(C2H3)3 trivinyl methane tvm  
1637 C6H10O cyclohexanone chexo  
1638 C6H12O hexanal c6h12o  
1639 C6H12O Oxepane oxepane  
1640 C3H7OC3H7 di-n-propyl ether propr  
1641 F2CCCF2 tetrafluoroallene pfa  
1642 CF3COO- trifluoro acetate anion cf3coo-  
1643 CF3COF trifluoroacetyl fluoride cf3cof  
1644 CF3COCl trifluoroacetyl chloride cf3cocl  
1645 PF6 Hexafluorophosphate neutral pf6  
1646 PF6- Hexafluorophosphate ion pf6-  
1647 SeF6 Selenium hexafluoride sef6  
1648 SF5Cl sulfur chloropentafluoride sf5cl  
1649 CF3CHF2 pentafluoroethane cf3chf2  
1650 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1651 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1652 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1653 CCl3CHCl2 pentachloroethane ccl3chcl2  
1654 C6H5F Fluorobenzene bzf  
1655 C6H5Cl chlorobenzene bzcl  
1656 C6H5Br bromobenzene bzbr  
1657 C8H6 Calicene calicene  
1658 C6H5CCH phenylacetylene phac  
1659 C8H6 benzocyclobutadiene bcbd  
1660 C8H6 Pentalene pentalene  
1661 C6H5CHCH2 Styrene styrene  
1662 C8H8 cyclooctatetraene cot  
1663 C6H5CH2CH3 Ethylbenzene etbz  
1664 CH3C6H4CH3 meta-xylene mxylene  
1665 CH3C6H4CH3 paraxylene pxylene  
1666 C8H14 Bicyclo[2.2.2]octane bico222  
1667 C8H16 cyclooctane cyclooct  
1668 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1669 C8H18 Octane c8h18  
1670 C6H5CN phenyl cyanide phcn  
1671 C6H12N2 Triethylenediamine ted  
1672 C4O4-- squarate dianion c4o4--  
1673 S4N4 Tetrasulfur tetranitride s4n4  
1674 S8 Octasulfur s8  
1675 C6H4O2 parabenzoquinone pbq  
1676 C4H4N2O2 Uracil uracil  
1677 C6H5OCH3 Anisole anisole  
1678 C5H9NO2 Proline proline  
1679 C6H12O2 Methyl pivalate c598981  
1680 C6H12O2 Hexanoic acid hexa  
1681 C4F4 tetrafluorcyclobutadiene c4f4  
1682 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1683 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1684 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1685 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1686 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1687 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1688 C2F6 hexafluoroethane c2f6  
1689 C2Cl6 hexachloroethane c2cl6  
1690 IF7 Iodine heptafluoride if7  
1691 C6H4F2 metadifluorobenzene mdfb  
1692 C6H4F2 orthodifluorobenzene odfb  
1693 C6H4F2 1,4-difluorobenzene pdfb  
1694 C6H4Cl2 1,2-dichlorobenzene dcb12  
1695 C6H4Cl2 1,3-dichlorobenzene dcb13  
1696 C6H4Cl2 1,4-dichlorobenzene dcb14  
1697 C6H5NO nitrosobenzene bzno  
1698 C9H8 Indene indene  
1699 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1700 C9H12 n-propyl benzene prbz  
1701 C9H20 Nonane nonane  
1702 C(CN)4 tetracyanomethane c5n4  
1703 C5H4N4 purine purine  
1704 C8H7N Indole indole  
1705 C3H3N3O3 cyanuric acid cyanuric  
1706 C6H5NO2 Nitrobenzene c6h5no2  
1707 C6H5COOH benzoic acid benzo  
1708 CH3COC6H5 acetophenone acph  
1709 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1710 C3F6 hexafluoropropene c3f6  
1711 C6H3F3 Benzene trifluoride 123 bzf3a  
1712 C8H18O 1-Octanol octanol  
1713 C10H8 Azulene azu  
1714 C10H8 naphthalene naph  
1715 C10H10 bullvalene bullv  
1716 C10H16 adamantane adamantane  
1717 C6N4 Tetracyanoethylene tcne  
1718 C6N4- tetracyanoethylene anion tcne-  
1719 C10H22 Decane decane  
1720 C4F6 perfluorobutadiene c4f6  
1721 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1722 C3F8 perfluoropropane c3f8  
1723 Fe(CO)5 Iron pentacarbonyl ipc  
1724 Fe(C5H5)2 ferrocene fecp2  
1725 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1726 C12H8 Acenaphthylene acenaph  
1727 C12H8 biphenylene biph  
1728 C12H10 biphenyl biphenyl  
1729 C12H10 Heptalene heptalene  
1730 C6H12O6 Inositol inositol  
1731 C6F6 hexafluorobenzene c6f6  
1732 S2F10 disulphur decafluoride s2f10  
1733 C13H10 Fluorene fluorene  
1734 C14H10 Anthracene anth  
1735 C14H10 Phenanthrene phenanthrene  
1736 C14H14 Bibenzyl bibenzyl  
1737 C12H10N2 azobenzene azobenzene  
1738 C6H5COC6H5 benzophenone benzophenone  
1739 C16H10 Pyrene pyrene  
1740 C18H12 Tetracene tetracene  
1741 C19H16 Triphenylmethane tpm  
1742 C24H12 Coronene coronene  
1743 C60 Buckminsterfullerene c60