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Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at MP2FC// B3LYP/6-31G* /cc-pVTZ

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 H2- hydrogen diatomic anion 2Σu+D∞h
7 H2+ Hydrogen cation 2Σg+D∞h
8 HD Deuterium hydride 1ΣgD∞h
9 H3+ hydrogen trimer cation 1A1'D3h
10 He Helium atom 1SKh
11 HeH+ Helium hydride cation 1ΣC∞v
12 He2+ helium diatomic cation 2ΣuD∞h
13 Li Lithium atom 2SKh
14 Na Sodium atom 2SKh
15 LiH Lithium Hydride 1ΣC∞v
16 LiH- lithium hydride anion 2ΣC∞v
17 LiH+ lithium hydride cation 2ΣC∞v
18 NaH sodium hydride 1ΣC∞v
19 NaH- sodium hydride anion 2ΣC∞v
20 NaH+ sodium hydride cation 2ΣC∞v
21 Be Beryllium atom 1SKh
22 Mg Magnesium atom 1SKh
23 BeH beryllium monohydride 2ΣC∞v
24 BeH- berylium monohydride anion 1ΣC∞v
25 BeH+ beryllium monohydride cation 1ΣC∞v
26 MgH magnesium monohydride 2ΣC∞v
27 MgH- magnesium monohydride anion 1ΣC∞v
28 MgH+ magnesium monohydride cation 1ΣC∞v
29 BeH2 beryllium dihydride 1ΣgD∞h
30 MgH2 magnesium dihydride 1ΣgD∞h
31 B Boron atom 2PKh
32 Al Aluminum atom 2PKh
33 BH Boron monohydride 1ΣC∞v
34 BH- boron monohydride anion 2ΠC∞v
35 BH+ boron monohydride cation 2ΣC∞v
36 AlH aluminum monohydride 1ΣC∞v
37 AlH- aluminum monohydride anion 2ΠC∞v
38 AlH+ aluminum monohydride cation 2ΣC∞v
39 BH2 boron dihydride 2A1C2v
40 AlH2 aluminum dihydride 2A1C2v
41 AlH2- aluminum dihydride anion 1A1C2v
42 AlH2+ aluminum dihydride cation 1ΣgD∞h
43 BH3 boron trihydride 1A1'D3h
44 BH3+ boron trihydride cation 2E'D3h
45 AlH3 aluminum trihydride 1A1'D3h
46 AlH3- aluminum trihydride anion 2A2"D3h
47 AlH3+ aluminum trihydride cation 2ED3h
48 BH4- borohydride anion 1A1Td
49 AlH4- Aluminum tetrahydride anion 1A1Td
50 C Carbon atom 3P0Kh
51 Si Silicon atom 3PKh
52 CH Methylidyne 2Π1/2C∞v
53 CH- methylidyne anion 3ΣC∞v
54 CH+ Methylidyne cation 1ΣC∞v
55 SiH Silylidyne 2ΠC∞v
56 SiH- silicon monohydride anion 3ΣC∞v
57 SiH+ silicon monohydride cation 1ΣC∞v
58 CH2 Methylene 3B1C2v
59 CH2- methylene anion 2B1C2v
60 CH2+ methylene cation 2A1C2v
61 SiH2 silicon dihydride 1A1C2v
62 SiH2- silicon dihydride anion 2B1C2v
63 SiH2+ silicon dihydride cation 2A1C2v
64 CH3 Methyl radical 2A1D3h
65 CH3- methyl anion 1A1C3v
66 CH3+ methyl cation 1A1'D3h
67 SiH3 Silyl radical 2A1C3v
68 SiH3- Silyl anion 1A1C3v
69 SiH3+ Silyl cation 1A1'D3h
70 CH4 Methane 1A1Td
71 CH4+ Methane cation 2B1C2v
72 SiH4 Silane 1A1Td
73 P Phosphorus atom 4SKh
74 NH Imidogen 3Σ-C∞v
75 NH- Imidogen anion 2ΠC∞v
76 NH+ imidogen cation 2ΠC∞v
77 PH phosphorus monohydride 3Σ-C∞v
78 PH- phosphorus monohydride anion 2ΠC∞v
79 PH+ phosphorus monohydride cation 2ΠC∞v
80 AsH Arsenic monohydride 3ΣC∞v
81 ND2 Amidogen-d2 2B1C2v
82 NH2 Amino radical 2B1C2v
83 NH2- amino anion 1A1C2v
84 PH2 Phosphino radical 2B1C2v
85 PH2- Phosphino anion 1A1C2v
86 PH2+ Phosphino cation 1A1C2v
87 AsH2 Arsenic dihydride 2A1C2v
88 ND3 Ammonia-d3 1A1C3v
89 NH3 Ammonia 1A1C3v
90 NH3+ ammonia cation 2A2"D3h
91 PH3 Phosphine 1A1C3v
92 PH3+ Phosphine cation 2A1C3v
93 AsH3 Arsine 1A1C3v
94 AsH3+ Arsine cation 2A1C3v
95 NH4+ ammonium cation 1A1Td
96 PH4+ phosphonium cation   
97 O Oxygen atom 3SKh
98 S Sulfur atom 3PKh
99 Se Selenium atom 3PKh
100 DO Hydroxyl-d 2ΠC∞v
101 OH Hydroxyl radical 2ΠC∞v
102 OH- hydroxide anion 1ΣC∞v
103 OH+ hydoxyl cation 3ΣC∞v
104 DS Mercapto-d 2ΠC∞v
105 HS Mercapto radical 2ΠC∞v
106 HS- mercapto anion 1ΣC∞v
107 HS+ sulfur monohydride cation 3ΣC∞v
108 HSe Selenium monohydride 2ΠC∞v
109 HSe- selenium monohydride anion 1ΣC∞v
110 HSe+ selenium monohydride cation 3ΣC∞v
111 D2O Deuterium oxide 1A1C2v
112 H2O Water 1A1C2v
113 H2O- water anion 2A1C2v
114 H2O+ water cation 2B1C2v
115 HDO Water-d1 1A1C2v
116 D2S Hydrogen sulfide-d2 1A1C2v
117 H2S Hydrogen sulfide 1A1C2v
118 H2S+ Hydrogen sulfide cation 2B1C2v
119 H2Se Hydrogen selenide 1A1C2v
120 H2Se+ Hydrogen selenide cation 2B1C2v
121 H3O+ hydronium cation 1A1C3v
122 F Fluorine atom 2PKh
123 Cl Chlorine atom 2PKh
124 Br Bromine atom 2PKh
125 DF Hydrofluoric acid-d 1ΣC∞v
126 HF Hydrogen fluoride 1ΣC∞v
127 HF- hydrogen fluoride anion 2ΣC∞v
128 HF+ hydrogen fluoride cation 2ΠC∞v
129 DCl Hydrochloric acid-d 1ΣC∞v
130 HCl Hydrogen chloride 1ΣC∞v
131 HCl- hydrogen chloride anion 2ΣC∞v
132 HCl+ hydrogen chloride cation 2ΠC∞v
133 HBr hydrogen bromide 1ΣC∞v
134 HBr- hydrogen bromide anion 2ΣC∞v
135 HBr+ hydrogen bromide cation 2ΠC∞v
136 H2F+ dihydrogen fluoride cation 1A1C2v
137 H2Cl+ dihydrogen monochloride cation 1A1C2v
138 Ne Neon atom 1SKh
139 Ar Argon atom 1SKh
140 NeH+ neon hydrogen cation 1ΣC∞v
141 ArH+ Argon hydride cation 1ΣC∞v
142 Li2 Lithium diatomic 1ΣgD∞v
143 Li2- lithium diatomic anion 2ΣuD∞h
144 Li2+ lithium diatomic cation 2ΣgD∞h
145 NaLi lithium sodium 1ΣC∞v
146 NaLi- lithium sodium anion 2ΣC∞v
147 NaLi+ lithium sodium cation 2ΣC∞v
148 Na2 Sodium diatomic 1ΣgD∞h
149 Na2- sodium diatomic anion 2ΣuD∞h
150 Na2+ sodium diatomic cation 2ΣgD∞h
151 Be2 Beryllium diatomic 3ΠgD∞h
152 Be2- Beryllium diatomic anion 2ΠuD∞h
153 Be2+ Beryllium diatomic cation 2ΣuD∞h
154 Mg2 Magnesium diatomic 1ΣgD∞h
155 Mg2- magnesium diatomic anion 2ΠUD∞h
156 Mg2+ magnesium diatomic cation 2ΣuD∞h
157 B2 Boron diatomic 3ΣgD∞h
158 B2 Boron diatomic 1ΣgD∞h
159 B2 Boron diatomic 5ΣuD∞h
160 B2- Boron diatomic anion 4ΣgD∞h
161 Al2 Aluminum diatomic 3ΣgD∞h
162 Al2- aluminum diatomic anion 4ΣgD∞h
163 Al2+ aluminum diatomic cation 2ΣgD∞h
164 B2H6 Diborane 1AgD2h
165 BC boron monocarbide 2ΠC∞v
166 BC- boron monocarbide anion 3ΠuC∞v
167 BC- boron monocarbide anion 1Σg+C∞v
168 BC+ boron monocarbide cation 3ΣC∞v
169 C2 Carbon diatomic 1Σg+D∞h
170 C2- carbon diatomic anion 2ΣgD∞h
171 C2+ carbon diatomic cation 2ΠD∞h
172 SiC silicon monocarbide 3ΣC∞v
173 SiC- silicon monocarbide anion 2ΣgC∞v
174 SiC+ silicon monocarbide cation 2ΠC∞v
175 Si2 Silicon diatomic 3ΣgD∞h
176 Si2- silcon diatomic anion 2ΣgD∞h
177 Si2+ silcon diatomic cation 2ΠD∞h
178 C2H Ethynyl radical 2ΣC∞v
179 C2H- Ethynyl anion 1ΣC∞v
180 C2H+ Ethynyl cation 3ΠC∞v
181 C2H+ Ethynyl cation 1ΣC∞v
182 C2H2 Acetylene 1ΣgD∞h
183 C2H2+ acetylene cation 2ΠuD∞h
184 CCH2 vinylidene 1A1C2v
185 CCH2 vinylidene 3B2C2v
186 CH3Li methyl lithium 1A1C3v
187 C2H3 vinyl 2A'Cs
188 C2H3+ vinyl cation 1A1C2V bridging H
189 C2H4 Ethylene 1AgD2h
190 C2H4- Ethylene anion 2B2gD2h
191 C2H4+ Ethylene cation 2B3uD2h
192 CH3CH methylmethylene 3A"Cs
193 C2H5 Ethyl radical 2A'Cs
194 C2H5+ Ethyl cation 1A1C2v
195 C2H6 Ethane 1A1gD3d
196 CH3SiH3 methyl silane 1A1C3
197 Si2H6 disilane 1EuD3d
198 LiN Lithium Nitride 3ΣC∞v
199 LiN Lithium Nitride 1ΣC∞v
200 LiN+ Lithium Nitride cation 4ΣC∞v
201 BeN- Beryllium mononitride anion 1ΣC∞v
202 BN- boron nitride anion 2ΣC∞v
203 AlN- aluminum mononitride anion 2ΣC∞v
204 AlN+ aluminum mononitride cation 2ΠC∞v
205 BN boron nitride 3ΠC∞v
206 BN boron nitride 1ΣC∞v
207 BN+ boron nitride cation 2ΠC∞v
208 AlN Aluminum nitride 3ΠiC∞v
209 AlN Aluminum nitride 1ΣC∞v
210 CN Cyano radical 2ΣC∞v
211 CN- cyanide anion 1ΣC∞v
212 CN+ Cyano cation 1ΣC∞v
213 CP Carbon monophosphide 2ΣC∞v
214 CP- carbon monophosphide anion 1ΣC∞v
215 CP+ carbon monophosphide cation 3ΣC∞v
216 SiN Silicon nitride 2ΣC∞v
217 SiN- silicon mononitride anion 1ΣC∞v
218 SiN+ silicon mononitride cation 3ΠC∞v
219 SiP Silicon monophosphide 2ΠC∞v
220 SiP- Silicon monophosphide anion 1ΣC∞v
221 SiP+ Silicon monophosphide cation 3ΣC∞v
222 SiP+ Silicon monophosphide cation 1ΣC∞v
223 N2 Nitrogen diatomic 1ΣgD∞h
224 N2- nitrogen diatomic anion 2ΠgD∞h
225 N2+ diatomic nitrogen cation 2ΣgD∞h
226 PN Phosphorus mononitride 1ΣC∞v
227 PN- phosphorus nitride anion 2ΠC∞v
228 PN+ phosphorus nitride cation 2ΠC∞v
229 P2 Phosphorus diatomic 1ΣgD∞h
230 P2- phosphorus diatomic anion 2ΠgD∞h
231 As2 Arsenic diatomic 1ΣgD∞h
232 HNB hydrogen nitrogen boron 2ΣC∞v
233 HNC hydrogen isocyanide 1ΣC∞v
234 HCN Hydrogen cyanide 1ΣC∞v
235 HCN+ hydrogen cyanide cation 2ΠC∞v
236 HCP Phosphaethyne 1ΣC∞v
237 NNH Dinitrogen monohydride 2A'Cs
238 NNH+ Dinitrogen monohydride cation 1ΣC∞v
239 HPO Hydrogen phosphorus oxide 1A'Cs
240 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
241 N2H2 (E)-diazene 1AgC2h
242 CH2NH Methanimine 1A'Cs
243 CH2PH Phosphaethene 1A'Cs
244 N2H4 Hydrazine 1AC2
245 P2H4 Diphosphine 1AC2
246 CH3NH2 methyl amine 1A'Cs
247 CH3PH2 Methyl phosphine 1A'Cs
248 BH3NH3 borane ammonia 1A1C3v
249 CH3NH3+ protonated methylamine 1A1C3v
250 NH3NH3 Ammonia Dimer 1AgC2h
251 LiO lithium oxide 2ΣC∞v
252 LiO- lithium oxide anion 1ΣC∞v
253 LiO- lithium oxide anion 3ΣC∞v
254 LiO+ lithium oxide cation 3ΣC∞v
255 LiO+ lithium oxide cation 1ΣC∞v
256 NaO sodium monoxide 2ΣC∞v
257 NaO- sodium oxide anion 1ΣC∞v
258 NaO+ sodium oxide cation 3ΣC∞v
259 BeO beryllium oxide 1ΣC∞v
260 BeO- Beryllium monoxide anion 2ΣC∞v
261 BeO+ Beryllium monoxide cation 2ΠC∞v
262 BeS beryllium sulfide 1ΣC∞v
263 MgO magnesium oxide 1Σ+C∞v
264 MgO- magnesium oxide anion 2ΣC∞v
265 MgO+ magnesium oxide cation 2ΠC∞v
266 MgS magnesium sulfide 1ΣC∞v
267 MgS- magnesium sulfide anion 2ΣC∞v
268 MgS+ magnesium sulfide cation 2ΠC∞v
269 BeS- Beryllium monosulfide anion 2ΣC∞v
270 BeS+ Beryllium monosulfide cation 2ΠC∞v
271 BO boron monoxide 2ΣC∞v
272 BO- boron monoxide anion 1ΣC∞v
273 AlO Aluminum monoxide 2ΣC∞v
274 AlO- Aluminum monoxide anion 1ΣC∞v
275 AlO+ aluminum monoxide cation 1ΣC∞v
276 BS boron sulfide 2ΣC∞v
277 BS- boron monosulfide anion 1ΣC∞v
278 BS+ boron monosulfide cation 1ΣC∞v
279 AlS Aluminum sulfide 2ΣC∞v
280 AlS- aluminum monosulfide anion 1ΣC∞v
281 AlS+ aluminum monosulfide cation 1ΣC∞v
282 BO+ boron monoxide cation 1ΣC∞v
283 CO Carbon monoxide 1ΣC∞v
284 CO- carbon monoxide anion 2ΠC∞v
285 CO+ carbon monoxide cation 2ΣC∞v
286 CS carbon monosulfide 1ΣC∞v
287 CS- carbon monosulfide anion 2ΠC∞v
288 CS+ carbon monosulfide cation 2ΣC∞v
289 SiO Silicon monoxide 1ΣC∞v
290 SiO- silicon monoxide anion 2ΠC∞v
291 SiO+ silicon monoxide cation 2ΣC∞v
292 SiS silicon monosulfide 1ΣC∞v
293 SiS- silicon monosulfide anion 2ΠC∞v
294 SiS+ silicon monosulfide cation 2ΣC∞v
295 CSe Carbon monoselenide 1ΣC∞v
296 CSe- Carbon monoselenide anion 2ΠC∞v
297 CSe+ Carbon monoselenide cation 2ΣC∞v
298 NO Nitric oxide 2ΠC∞v
299 NO- nitric oxide anion 3ΣC∞v
300 NO- nitric oxide anion 1ΔC∞v
301 NO+ nitric oxide cation 1ΣC∞v
302 NS Mononitrogen monosulfide 2ΠC∞v
303 NS- nitrogen sulfide anion 3ΣC∞v
304 NS+ nitrogen sulfide cation 1ΣC∞v
305 PO Phosphorus monoxide 2ΠC∞v
306 PO- phosphorus monoxide anion 3ΣC∞v
307 PO+ phosphorus monoxide cation 1ΣC∞v
308 PS phosphorus sulfide 2ΣC∞v
309 PS- phosphorus monosulfide anion 3ΣC∞v
310 PS+ phosphorus monosulfide cation 1ΣC∞v
311 AsO Arsenic monoxide 2ΠC∞v
312 O2 Oxygen diatomic 3ΣgD∞h
313 O2- oxygen diatomic anion 2ΠD∞h
314 SO Sulfur monoxide 3ΣC∞v
315 SO- sulfur monoxide anion 2ΠC∞v
316 SO+ sulfur monoxide cation 2ΠC∞v
317 S2 Sulfur diatomic 3ΣgD∞h
318 S2- sulfur diatomic anion 2ΠD∞h
319 S2+ sulfur diatomic cation 2ΠD∞h
320 SeO Selenium monoxide 3ΣC∞v
321 SeO- selenium monoxide anion 2ΠC∞v
322 SeO+ selenium monoxide cation 2ΠC∞v
323 SeS Selenium monosulfide 3ΣC∞v
324 SeS- selenium monosulfide anion 2ΠC∞v
325 SeS+ selenium monosulfide cation 2ΠC∞v
326 Se2 Selenium diatomic 3ΣgD∞h
327 Se2- selenium diatomic anion 2ΠD∞h
328 Se2+ selenium diatomic cation 2ΠgD∞h
329 LiOH lithium hydroxide 1ΣC∞v
330 NaOH sodium hydroxide 1ΣC∞v
331 BeOH beryllium monohydroxide 2A'Cs
332 MgOH magnesium hydroxide 2A'Cs
333 HBO Boron hydride oxide 1ΣC∞v
334 HBS hydrogen boron sulfide 1ΣC∞v
335 HCO Formyl radical 2A'Cs
336 HCO+ Formyl cation 1ΣC∞v
337 HCS Thioformyl radical 2A'Cs
338 HCS- Thioformyl anion 1A'Cs
339 HCS- Thioformyl anion 3A"Cs
340 HCS+ Thioformyl cation 1ΣC∞v
341 HNO Nitrosyl hydride 1A'Cs
342 HNO- Nitrosyl hydride anion 2A"Cs
343 HNO+ Nitrosyl hydride cation 2A'Cs
344 HO2 Hydroperoxy radical 2A"Cs
345 HO2- Hydroperoxy anion 1A'Cs
346 HO2+ Hydroperoxy cation 3A"Cs
347 H2CO Formaldehyde 1A1C2v
348 H2CO+ formaldehyde cation 2B2C2v
349 H2CS Thioformaldehyde 1A1C2v
350 H2O2 Hydrogen peroxide 1AC2
351 H2S2 Disulfane 1AC2
352 CH2OH Hydroxymethyl radical 2AC1
353 CH2OH+ hydroxymethyl cation 1A'Cs
354 CH3O Methoxy radical 2A'C1
355 CH3S thiomethoxy 2A'C3v
356 NH2OH hydroxylamine 1A'Cs
357 CH3OH Methyl alcohol 1A'Cs
358 CH3SH Methanethiol 1A'Cs
359 CH3SeH Methane selenol 1A'Cs
360 H2OH2O water dimer 1A'Cs
361 H2ONH3 Water Ammonia Dimer 1A'C1
362 LiF lithium fluoride 1ΣC∞v
363 LiCl lithium chloride 1ΣC∞v
364 LiCl- lithium chloride anion 2ΣC∞v
365 LiCl+ lithium chloride cation 2ΠC∞v
366 NaF sodium fluoride 1ΣC∞v
367 NaF- sodium fluoride anion 2ΣC∞v
368 NaF+ sodium fluoride cation 2ΣC∞v
369 NaCl Sodium Chloride 1ΣC∞v
370 NaCl- sodium chloride anion 2ΣC∞v
371 NaCl+ sodium chloride cation 2ΠC∞v
372 LiBr Lithium Bromide 1ΣC∞v
373 LiBr- lithium bromide anion 2ΣC∞v
374 LiBr+ lithium bromide cation 2ΠC∞v
375 NaBr Sodium Bromide 1ΣC∞v
376 NaBr- sodium bromide anion 2ΣC∞v
377 NaBr+ sodium bromide cation 2ΠC∞v
378 LiF- lithium fluoride anion 2ΣC∞v
379 LiF+ lithium fluoride cation 2ΠC∞v
380 BeF Beryllium monofluoride 2ΣC∞v
381 BeF- Beryllium monofluoride anion 1ΣC∞v
382 BeF+ Beryllium monofluoride cation 1ΣC∞v
383 BeCl beryllium monochloride 2ΣC∞v
384 MgF Magnesium monofluoride 2ΣC∞v
385 MgF- magnesium fluoride anion 1ΣC∞v
386 MgF+ magnesium fluoride cation 1ΣC∞v
387 MgCl magnesium monochloride 2ΣC∞v
388 MgCl- magnesium monochloride anion 1ΣC∞v
389 MgCl+ magnesium monochloride cation 1ΣC∞v
390 BeCl- beryllium monochloride anion 1ΣC∞v
391 BeCl+ beryllium monochloride cation 1ΣC∞v
392 BF Boron monofluoride 1ΣC∞v
393 BF- Boron monofluoride anion 2ΠC∞v
394 BF+ Boron monofluoride cation 2ΣC∞v
395 AlF Aluminum monofluoride 1Σ+C∞v
396 AlF- Aluminum monofluoride anion 2ΠC∞v
397 AlF+ Aluminum monofluoride cation 2ΣC∞v
398 BCl boron monochloride 1ΣC∞v
399 BCl- boron monochloride anion 2ΠC∞v
400 BCl+ boron monochloride cation 2ΣC∞v
401 AlCl- aluminum monochloride anion 2ΠC∞v
402 AlCl+ aluminum monochloride cation 2ΣC∞v
403 CF Fluoromethylidyne 2ΠC∞v
404 CF- carbon monofluoride anion 3ΣC∞v
405 CF- carbon monofluoride anion 1ΣC∞v
406 CF+ carbon monofluoride cation 1ΣC∞v
407 CCl carbon monochloride 2ΠC∞v
408 CCl- carbon monochloride anion 3ΣC∞v
409 CCl+ carbon monochloride cation 1ΣC∞v
410 SiF silicon monofluoride 2ΠC∞v
411 SiF- silicon monofluoride anion 3ΣC∞v
412 SiF+ silicon monofluoride cation 1ΣC∞v
413 SiCl Clorosilylidyne 2ΠC∞v
414 SiCl- silicon monochloride anion 3ΣC∞v
415 SiCl+ silicon monochloride cation 1ΣC∞v
416 NF nitrogen fluoride 3ΣC∞v
417 NF- nitrogen monofluorine anion 2ΠC∞v
418 NF+ nitrogen monofluoirde cation 2ΠC∞v
419 NCl nitrogen monochloride 3ΣC∞v
420 NCl- nitrogen monochloride anion 2ΠC∞v
421 NCl+ nitrogen monochloride cation 2ΠC∞v
422 PF phosphorus monofluoride 3ΣC∞v
423 PF- phosphorus monofluoride anion 2ΠC∞v
424 PF+ phosphorus monofluoride cation 2ΠC∞v
425 PCl phosphorus chloride 3ΣC∞v
426 PCl- phosphorus monochloride anion 2ΠC∞v
427 PCl+ phosphorus monochloride cation 2ΠC∞v
428 FO Oxygen monofluoride 2ΠC∞v
429 FO- flourine oxide anion 1ΣC∞v
430 FO+ fluorine monoxide cation 3ΣC∞v
431 ClO Monochlorine monoxide 2ΠC∞v
432 ClO- chlorine monoxide anion 1ΣC∞v
433 ClO+ chlorine monoxide cation 3ΣC∞v
434 ClO+ chlorine monoxide cation 1ΣC∞v
435 SF Monosulfur monofluoride 2ΠC∞v
436 SF- sulfur monofluoride anion 1ΣC∞v
437 SF+ sulfur monofluoride cation 3ΣC∞v
438 SCl sulfur monochloride 2ΠC∞v
439 SCl- sulfur monochloride anion 1ΣC∞v
440 SCl+ sulfur monochloride cation 3ΣgC∞v
441 SCl+ sulfur monochloride cation 1ΣC∞v
442 BrCl Bromine monochloride 1ΣC∞v
443 F2 Fluorine diatomic 1ΣgD∞h
444 F2- flourine diatomic anion 2ΣuD∞h
445 F2+ flourine diatomic cation 2ΠgD∞h
446 ClF Chlorine monofluoride 1Σ+C∞v
447 ClF- clorine monofluoride anion 2ΣC∞v
448 ClF+ clorine monofluoride cation 2ΠC∞v
449 Cl2 Chlorine diatomic 1ΣgD∞h
450 Cl2- chlorine diatomic anion 2ΣuD∞h
451 Cl2+ chlorine diatomic cation 2ΠgD∞h
452 BrF Bromine monofluoride 1ΣC∞v
453 BrF- bromine fluoride anion 2ΣC∞v
454 BrF+ bromine fluoride cation 2ΠC∞v
455 BrCl- bromine chloride anion 2ΣC∞v
456 BrCl+ bromine chloride cation 2ΠC∞v
457 Br2 Bromine diatomic 1ΣgD∞h
458 Br2- bromine diatomic anion 2ΣuD∞h
459 Br2+ bromine diatomic cation 2ΠgD∞h
460 HCF Fluoromethylene 1A'Cs
461 HOF Hypofluorous acid 1A'Cs
462 DOCl Hypochlorous acid-d 1A'Cs
463 HOCl hypochlorous acid 1A'Cs
464 HOBr Hypobromous acid 1A'Cs
465 NH2F monofluoroamine 1A'Cs
466 NH2Cl chloramine 1A'Cs
467 H2F2 Hydrogen fluoride dimer 1AgCs
468 CH3F Methyl fluoride 1A1C3v
469 CH3Cl Methyl chloride 1A1C3v
470 SiH3F monofluorosilane 1A1C3v
471 SiH3Cl chlorosilane 1A1C1
472 CH3Br methyl bromide 1A1C3v
473 C3 carbon trimer 1ΣgD∞h
474 C3+ carbon trimer cation 2ΣuD∞h
475 C3H3 Propargyl radical 2B1Cs
476 C3H3- Propargyl anion 1A'Cs
477 C3H3+ cyclopropenyl cation 1A1D3h
478 C3H3+ Propargyl cation 1A1C2v
479 CH2CCH2 allene 1A1D2d
480 CH3CCH propyne 1A'C3v
481 C3H5 Allyl radical 2A2C2v
482 C3H5+ Allyl cation 1A1C2v
483 C3H6 Cyclopropane 1A1'D3h
484 CH2CHCH3 Propene 1A'Cs
485 C3H7 n-Propyl radical 2A"C1
486 CH3CHCH3 Isopropyl radical 2AC2
487 C3H8 Propane 1A1C2v
488 SiH2(CH3)2 dimethylsilane 1A1C2v
489 N3 azide radical 2ΠgD∞h
490 N3- azide anion 1ΣGD∞h
491 HN3 hydrogen azide 1A'Cs
492 CH2NN diazomethane 1A1C2v
493 NH2CN cyanamide 1A'Cs
494 CH3CN Acetonitrile 1A1C3v
495 CH3NC methyl isocyanide 1A1C3v
496 NHCHNH2 aminomethanimine 1AC1
497 C2H5N Aziridine 1A'C1
498 CH2CHNH2 aminoethene 1AC1
499 CH2NCH3 N-methylmethanimine 1A'Cs
500 CH3CHNH ethanimine 1A'CS NH up
501 CH3CH2NH2 Ethylamine 1A'Cs
502 CH3NHCH3 Dimethylamine 1A'Cs
503 Li2O dilithium oxide 1ΣgD∞h
504 Na2O disodium monoxide 1ΣgLinear
505 NCO isocyanato radical 2ΠC∞v
506 NCO- cyanate 1ΣC∞v
507 SCN thiocyanato radical 2ΠC∞v
508 SCN- thiocyanide anion 1ΣC∞v
509 BO2 Boron dioxide 2A'D∞h
510 BO2- Boron dioxide anion 1ΣgD∞h
511 BO2+ Boron dioxide cation 3ΣgD∞h
512 N2O Nitrous oxide 1ΣC∞v
513 N2O- Nitrous oxide anion 2A'Cs
514 N2O+ Nitrous oxide cation 2ΠC∞v
515 CO2 Carbon dioxide 1ΣgD∞h
516 CO2- Carbon dioxide anion 2A1C2v
517 CO2+ Carbon dioxide cation 2ΠgD∞h
518 OCS Carbonyl sulfide 1ΣC∞v
519 OCS+ Carbonyl sulfide cation 2ΠC∞v
520 SiO2 silicon dioxide 1ΣgD∞h
521 CS2 Carbon disulfide 1ΣgD∞h
522 CS2+ Carbon disulfide cation 2ΠD∞h
523 OCSe Carbonyl selenide 1ΣC∞v
524 NO2 Nitrogen dioxide 2A1C2v
525 NO2- Nitrogen dioxide anion 1A1C2v
526 NO2+ Nitrogen dioxide cation 1ΣGD∞h
527 PO2 Phosphorus dioxide 2A1C2v
528 PO2+ Phosphorus dioxide cation 1ΣGD∞h
529 O3 Ozone 1A1Cs
530 O3- Ozone anion 2B1C2v
531 O3+ Ozone cation 2A1C2v
532 SO2 Sulfur dioxide 1A1C2v
533 SO2+ Sulfur dioxide cation 2A1C2v
534 SSO Disulfur monoxide 1A'Cs
535 S3 Sulfur trimer 1A1C2v
536 SeO2 Selenium dioxide 1A1C2v
537 HCCO ketenyl radical 2ΠC∞v
538 HCNO fulminic acid 1ΣC∞v
539 HNCO Isocyanic acid 1A'Cs
540 HOCN cyanic acid 1A'Cs
541 HCO2- formate anion 1A1C2v
542 HOCO Hydrocarboxyl radical 1A'cis
543 HOCO+ Hydrocarboxyl cation 1A'Cs
544 HNO2 Nitrous acid 1A'Cs
545 HNO2+ nitrous acid cation 2A'Cs
546 CH2CO Ketene 1A1C2v
547 CH2CO+ Ketene cation 2B1C2v
548 HCCOH ethynol 1A'Cs
549 CH2O2 Dioxirane 1A1C2v
550 HCOOH Formic acid 1A'Cs
551 CH3CO Acetyl radical 2A'Cs
552 CH3CO+ acetyl cation 1A1C3v
553 CHONH2 formamide 1A'Planar
554 CH3OO methylperoxy radical 2A"Cs
555 C2H4O Ethylene oxide 1A1C2v
556 CH2CHOH ethenol 1A'Cs
557 CH3CHO Acetaldehyde 1A'Cs
558 C2H4S Thiirane 1A1C2v
559 CH3CHS Thioacetaldehyde 1A'C1
560 CH3OOH Methyl peroxide 1AC1
561 H2OH2CO water formaldehyde dimer 1AC1
562 CH3CH2OH Ethanol 1A'Cs
563 CH3OCH3 Dimethyl ether 1A1C2v
564 CH3CH2SH ethanethiol 1A'Cs
565 CH3SCH3 Dimethyl sulfide 1A1C2v
566 CH3OHH2O methanol water dimer 1A'C1
567 H2OCH3OH water methanol dimer 1AC1
568 FCN Cyanogen fluoride 1ΣC∞v
569 ClCN chlorocyanogen 1ΣC∞v
570 BrCN Cyanogen bromide 1ΣC∞v
571 MgCl2 Magnesium dichloride 1ΣgC2v
572 FNO Nitrosyl fluoride 1A'Cs
573 ClNO Nitrosyl chloride 1A'Cs
574 CF2 Difluoromethylene 1A1D∞h
575 CF2- Difluoromethylene anion 2B1C2v
576 CF2+ Difluoromethylene cation 2A1C2v
577 CCl2 dichloromethylene 1A1C2v
578 CCl2+ dichloromethylene cation 2A1C2v
579 SiCl2 Dichlorosilylene 1A1C2v
580 FOO Dioxygen monofluoride radical 2A"Cs
581 ClOO chloroperoxy radical 2A"Cs
582 ClOO+ chloroperoxy cation 1A'Cs
583 OClO Chlorine dioxide 2B1D∞h
584 ClS2 Sulfur chloride 2A"Cs
585 NF2 Difluoroamino radical 2B1C2v
586 NF2+ Difluoroamino cation 1A1C2v
587 F2O Difluorine monoxide 1A1C2v
588 SF2 sulfur difluoride 1A1C2v
589 SF2- sulfur difluoride anion 2A'Cs
590 SF2+ sulfur difluoride cation 2B1C2v
591 Cl2O Dichlorine monoxide 1A1C2v
592 SCl2 Sulfur dichloride 1A1C2v
593 HCCF Fluoroacetylene 1ΣC∞v
594 BHF2 Difluoroborane 1A1C2v
595 BHCl2 Borane, dichloro- 1A1C2v
596 CH2F2 Methane, difluoro- 1A1C2v
597 CH2FCl fluorochloromethane 1A'Cs
598 CH2Cl2 Methylene chloride 1A1C2v
599 CH2Br2 dibromomethane 1A1C2v
600 SiH2Cl2 dichlorosilane 1A1C2v
601 CH2CHF Ethene, fluoro- 1A'Cs
602 C2H3Cl Ethene, chloro- 1A'Cs
603 C2H3Br vinyl bromide 1A'Cs
604 C2H5F fluoroethane 1A'Cs
605 CH3CH2Cl Ethyl chloride 1A'Cs
606 C2H5Br Ethyl bromide 1A'Cs
607 C4 Carbon tetramer 3ΣgD∞h
608 C4H2 Diacetylene 1ΣgD∞h
609 C2H3CCH 1-Buten-3-yne 1A'C1
610 H2CCCCH2 Butatriene 1AgD2h
611 C4H6 1-Methylcyclopropene 1AC1
612 C4H6 Cyclobutene 1A1C2v
613 C4H6 Methylenecyclopropane 1A1C2v
614 CH2CCHCH3 1,2-Butadiene 1A'C1
615 CH2CHCHCH2 1,3-Butadiene 1AgC2h
616 CH3CCCH3 2-Butyne 1A1'D3h
617 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
618 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
619 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
620 C(CH3)3 Tert-butyl radical 2A"C3v
621 CH2CH(CH3)2 Isobutyl radical 2A'C1
622 CH3CHCH2CH3 2-Butyl radical 1AC1
623 CH3CH(CH3)CH3 Isobutane 1A1C3v
624 CH3CH2CH2CH3 Butane 1AgAnti
625 C2N2 Cyanogen 1ΣgD∞h
626 P4 Phosphorus tetramer 1A1Td
627 HCCCN Cyanoacetylene 1ΣC∞v
628 C3H3N acrylonitrile 1A'Cs
629 C3H7N Cyclopropylamine 1A'C1
630 C4H8 cyclobutane 1A1D2d
631 C2H8N2 Ethylenediamine 1AgC2h
632 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
633 N(CH3)3 Trimethylamine 1A1C3v
634 NH2CH2CH2CH3 1-Propanamine 1A'Cs
635 B2O2 Diboron dioxide 1ΣgD∞h
636 CO3-- carbonate 1A1'D3h
637 NO3 Nitrogen trioxide 2A1'all bonds equal
638 SO3 Sulfur trioxide 1A1'D3h
639 SO3- Sulfur trioxide anion 2A1pyramidal
640 HNO3 Nitric acid 1A'Cs
641 C2H2O2 Ethanedial 1AgC2h
642 CH3COO- acetate anion 1A'eclipsed
643 CH3NO2 Methane, nitro- 1A'Cs
644 CH3ONO Methyl nitrite 1A'C1
645 C3H4O 2-Propyn-1-ol 1A'Cs
646 C3H4O allenol 1A'Cs
647 C3H4O Cyclopropanone 1A1C2v
648 C3H4O Methylketene 1A'Cs
649 CH2CHCHO Acrolein 1A'Cs
650 NH2CONH2 Urea 1AC2
651 NH2CSNH2 Thiourea 1AC2
652 CH3COOH Acetic acid 1A'Cs
653 CH3OCHO methyl formate 1A'Cs
654 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
655 H2OHCOOH Water formic acid dimer 1 1AC1
656 H2OHCOOH Water formic acid dimer 2 1AC1
657 HCOOHH2O Formic acid water dimer 1AC1
658 CH3CHNOH Acetaldoxime 1A'CS trans
659 CH3CONH2 Acetamide 1A'C1
660 C3H6O Propylene oxide 1AC1
661 CH3CH2CHO Propanal 1A'Cs
662 CH3COCH3 Acetone 1A1C2v
663 C3H6S Thietane 1A'Cs
664 C3H6S Thiirane, methyl- 1AC1
665 C2H6O2 1,2-Ethanediol 1AgC2h
666 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
667 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
668 CH3SSCH3 Disulfide, dimethyl 1AC2
669 CH3CHOHCH3 Isopropyl alcohol 1AC1
670 CH3OC2H5 Ethane, methoxy- 1A'Cs
671 C3H7SH 1-Propanethiol 1A'Cs
672 CH3CHSHCH3 2-Propanethiol 1A'Cs
673 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
674 H2OCH3OCH3 water dimethylether dimer 1AC1
675 Na2Cl2 Disodium dichloride 1AgC2h
676 C2F2 difluoroacetylene 1ΣgD∞h
677 C2Cl2 dichloroacetylene 1ΣgC2h
678 ClNO2 Nitryl chloride 1A1C2v
679 N2F2 (Z)-Difluorodiazene 1A1C2v
680 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
681 CF2O Carbonic difluoride 1A1C2v
682 CCl2O Phosgene 1A1C2v
683 BF3 Borane, trifluoro- 1A'D3h
684 AlF3 Aluminum trifluoride 1A1'D3h
685 AlF2Cl Aluminum chloride difluoride 1A1C2v
686 AlFCl2 Aluminum dichloride fluoride 1A1C2v
687 BCl3 Borane, trichloro- 1A1'D3h
688 AlCl3 Aluminum trichloride 1A1'D3h
689 ClO3- chlorate anion 1A1C3v
690 CF3 Trifluoromethyl radical 2A1C3v
691 CF3- Trifluoromethyl anion 1A1C3v
692 CF3+ Trifluoromethyl cation 1A1'D3h
693 CCl3 Trichloromethyl radical 2A1C3
694 CCl3- Trichloromethyl anion 1A1C3v
695 SOCl2 thionyl chloride 1A'Cs
696 NF3 Nitrogen trifluoride 1A1C3v
697 NF3- Nitrogen trifluoride anion 2A1C3v
698 PF3 Phosphorus trifluoride 1A1C3v
699 PCl3 Phosphorus trichloride 1A1C3v
700 ClSSCl Disulfur dichloride 1AC2
701 BrF3 Bromine trifluoride 1A1C2v
702 CHF3 Methane, trifluoro- 1A1C3v
703 CHF2Cl difluorochloromethane 1A'Cs
704 CHFCl2 fluorodichloromethane 1A'Cs
705 CHCl3 Chloroform 1A1C3v
706 SiHCl3 Trichlorosilane 1A1C3v
707 CHBr3 bromoform 1A1C3v
708 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
709 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
710 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
711 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
712 CH3COF Acetyl fluoride 1A'NULL
713 CH3COCl Acetyl Chloride 1A'Cs
714 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
715 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
716 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
717 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
718 C3H5Cl 1-Propene, 3-chloro- 1AC1
719 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
720 C3H5Cl 1-chloro-1-propene(Z) 1A'Cs
721 C5H5- cylopentadienyl anion 1A1'D5h
722 SO4-- sulfate 1A1Td
723 ClO4- perchlorate anion 1A1Td
724 BF4- tetrafluoroboron anion 1A1Td
725 C2F6 hexafluoroethane 1A1gD3d

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 He- Helium atom anion he-  
5 He+ Helium atom cation he+  
6 HeH Helium hydride heh  
7 Li- Lithium atom anion li-  
8 Li+ Lithium atom cation li+  
9 Na- Sodium atom anion na-  
10 Na+ Sodium atom cation na+  
11 K Potassium atom k  
12 K- Potassium atom anion k-  
13 K+ Potassium atom cation k+  
14 Cu Copper atom cu  
15 Cu- Copper atom anion cu-  
16 Cu+ Copper atom cation cu+  
17 KH Potassium hydride kh  
18 KH+ Potassium hydrogen cation kh+  
19 CuH Copper monohydride cuh  
20 Be- Beryllium atom anion be-  
21 Be+ Beryllium atom cation be+  
22 Mg- Magnesium atom anion mg-  
23 Mg+ Magnesium atom cation mg+  
24 Ca Calcium atom ca  
25 Ca- Calcium atom anion ca-  
26 Ca+ Calcium atom cation ca+  
27 Zn Zinc atom zn  
28 Zn- Zinc atom anion zn-  
29 Zn+ Zinc atom cation zn+  
30 CaH Calcium monohydride cah  
31 CaH+ Calcium monohydride cation cah+  
32 TiH Titanium monohydride tih  
33 ZnH Zinc monohydride znh  
34 ZnH+ Zinc, protonated znh+  
35 BeH2+ Beryllium dihydride cation beh2+  
36 CaH2 Calcium Hydride cah2  
37 ZnH2 Zinc hydride znh2  
38 B- Boron atom anion b-  
39 B+ Boron atom cation b+  
40 Al- Aluminum atom anion al-  
41 Al+ Aluminum atom cation al+  
42 Sc Scandium atom sc  
43 Sc+ Scandium cation sc+  
44 Ga Gallium atom ga  
45 Ga- Gallium atom anion ga-  
46 Ga+ Gallium atom cation ga+  
47 ScH Scandium monohydride sch  
48 ScH+ Scandium monohydride cation sch+  
49 GaH Gallium monohydride gah  
50 GaH+ Gallium monohydride cation gah+  
51 BH2- boron dihydride anion bh2-  
52 BH2+ Boron dihydride cation bh2+  
53 BH3- boron trihydride anion bh3-  
54 ScH3 Scandium trihydride sch3  
55 GaH3 Gallium trihydride gah3  
56 BH4 borohydride bh4  
57 C- Carbon atom anion c-  
58 C+ Carbon atom cation c+  
59 Si- Silicon atom anion si-  
60 Si+ Silicon atom cation si+  
61 Ti Titanium atom ti  
62 Ti- Titanium atom anion ti-  
63 Ti+ Titanium atom cation ti+  
64 Ge Germanium atom ge  
65 Ge- Germanium anion ge-  
66 Ge+ Germanium cation ge+  
67 Sn Tin atom sn  
68 Sn+ Tin cation sn+  
69 GeH germylidene geh  
70 GeH+ Germaniun monohyrdide cation geh+  
71 GeH2 germylene geh2  
72 GeH2- germylene anion geh2-  
73 GeH3 Germyl radical geh3  
74 GeH3+ germyl cation geh3+  
75 CD4 methane-d4 cd4  
76 CH2D2 methane-d2 ch2d2  
77 CH3D methane-d ch3d  
78 CH4- Methane anion ch4-  
79 CHD3 methane-d3 chd3  
80 SiH2D2 silane-d2 sih2d2  
81 SiH4+ Silane cation sih4+  
82 GeH4 Germane geh4  
83 SnH4 Stannane snh4  
84 SiH5+ Silane, protonated sih5+  
85 N Nitrogen atom n  
86 N- Nitrogen atom anion n-  
87 N+ Nitrogen atom cation n+  
88 P- Phosphorus atom anion p-  
89 P+ Phosphorus atom cation p+  
90 V Vanadium atom v  
91 V+ Vanadium atom cation v+  
92 As Arsenic atomic as  
93 As- Arsenic anion as-  
94 As+ Arsenic cation as+  
95 Sb Antimony atom sb  
96 AsH+ Arsenic monohydride cation ash+  
97 SbH Antimony monohydride sbh  
98 NH2+ Amino cation nh2+  
99 AsH2+ Arsenic dihydride cation ash2+  
100 NH3- Ammonia anion nh3-  
101 SbH3 Stibine sbh3  
102 AsH4+ Arsonium ash4+  
103 NH4 Ammonium radical nh4  
104 PH4 Phosphoranyl radical ph4  
105 O- Oxygen atom anion o-  
106 O+ Oxygen atom cation o+  
107 S- Sulfur atom anion s-  
108 S+ Sulfur atom cation s+  
109 Cr Chromium atom cr  
110 Se- Selenium atom anion se-  
111 Se+ Selenium atom cation se+  
112 Te Tellurium atom te  
113 Te+ Tellurium atom cation te+  
114 CrH Chromium hydride crh  
115 CrH+ Chromium hydride cation crh+  
116 TeH Telluryl radical teh  
117 H2S- Hydrogen sulfide anion h2s-  
118 H2Te Hydrogen Telluride h2te  
119 H3S+ Sulfonium cation h3s+  
120 H3Se+ Hydrogen Selenide, protonated h3se+  
121 F- Fluorine atom anion f-  
122 F+ Fluorine atom cation f+  
123 Cl- Chlorine atom anion cl-  
124 Cl+ Chlorine atom cation cl+  
125 Mn Manganese atom mn  
126 Br- Bromine atom anion br-  
127 Br+ Bromine atom cation br+  
128 I Iodine atom iodine  
129 I- Iodine atom anion iodine-  
130 I+ Iodine atom cation iodine+  
131 HI Hydrogen iodide hi  
132 HI+ Hydrogen iodide cation hi+  
133 H2Br+ protonated hydrogen bromide h2br+  
134 H2I+ Iodonium h2i+  
135 Ne- Neon atom anion ne-  
136 Ne+ Neon atom cation ne+  
137 Ar- Argon atom anion ar-  
138 Ar+ Argon atom cation ar+  
139 Fe Iron atom fe  
140 Kr Krypton atom kr  
141 Kr+ Krypton cation kr+  
142 Xe Xenon atom xe  
143 HeLi+ Helium Lithium cation heli+  
144 NeH neon hydrogen neh  
145 KrH+ Protonated Krypton krh+  
146 XeH+ Xenon, protonated xeh+  
147 H2Ar H2 Ar dimer h2ar  
148 Co Cobalt atom cobalt  
149 Ni Nickel atom ni  
150 LiK Lithium Potassium lik  
151 NaK Sodium Potassium nak  
152 NaK+ Sodium Potassium diatomic cation nak+  
153 K2 Potassium diatomic k2  
154 Cu2 Copper diatomic cu2  
155 LiBe Lithium Beryllium libe  
156 LiMg Lithium magnesium limg  
157 NaBe Sodium Beryllium nabe  
158 NaMg Sodium Magnesium namg  
159 Be2 Beryllium diatomic be2  
160 BeMg Beryllium Magnesium bemg  
161 Ca2 Calcium diatomic ca2  
162 LiB Lithium boride lib  
163 LiAl Lithium Aluminum lial  
164 NaAl Sodium aluminum naal  
165 BeB Beryllium monoboride beb  
166 B2+ Boron diatomic cation b2+  
167 BAl Boron Aluminum bal  
168 BGa Boron Gallium bga  
169 AlGa Aluminum Gallium alga  
170 Ga2 Gallium diatomic ga2  
171 HBBH Diborane(2) hbbh  
172 LiBH4 Lithium borohydride libh4  
173 B2H4 Diborane(4) D2d b2h4  
174 HBHHBH Diborane(4) C2V hbhhbh  
175 B2H6+ Diborane cation b2h6  
176 Al2H6 dialane al2h6  
177 Ga2H6 digallane ga2h6  
178 LiC Lithium Carbide lic  
179 BeC Beryllium Carbide bec  
180 CaC Calcium monocarbide cac  
181 BC boron monocarbide bc  
182 AlC Aluminum carbide alc  
183 BSi Boron silicide bsi  
184 C2+ carbon diatomic cation c2+  
185 GeC Germanium monocarbide gec  
186 SiGe Silicon Germanium sige  
187 Ge2 Germanium diatomic ge2  
188 ZnCH2 Zinc methylene znch2  
189 H2CC- vinylidene anion h2cc-  
190 HCCH- acetylene anion c2h2-  
191 Si2H2 disilyne si2h2  
192 CuCH3 monomethyl copper cuch3  
193 ZnCH3 Zinc monomethyl znch3  
194 CH2BH methyleneborane ch2bh  
195 C2H3- vinyl anion c2h3-  
196 CH2SiH2 silaethylene ch2sih2  
197 Si2H4 Disilene si2h4  
198 CH3BH2 methylborane ch3bh2  
199 C2H5- Ethyl anion c2h5-  
200 C2H6+ ethane cation c2h6+  
201 GeH3CH3 methyl germane geh3ch3  
202 C2H7+ Ethane, protonated c2h7+  
203 LiP Lithium monophosphide lip  
204 BeN Beryllium mononitride ben  
205 BeN+ Beryllium mononitride cation ben+  
206 MgN Magnesium Nitride mgn  
207 BP Boron monophosphide bp  
208 AlP Aluminum monophosphide alp  
209 GaN Gallium mononitride gan  
210 GaP Gallium monophosphide gap  
211 GaAs Gallium arsenide gaas  
212 TiN Titanium mononitride tin  
213 P2+ phosphorus diatomic cation p2+  
214 AsN Arsenic mononitride asn  
215 AsP Arsenic monophosphide asp  
216 SbN Antimony nitride sbn  
217 HCN- Hydrogen cyanide anion hcn-  
218 HNC+ hydrogen isocyanide cation hnc+  
219 HCP+ Phosphaethyne cation hcp+  
220 LiNH2 lithium amide linh2  
221 HBNH Boranimine hbnh  
222 CNH2 Aminomethylidyne radical cnh2  
223 CNH2+ N-protonated hydrogen isocyanide cnh2+  
224 H2CN Dihydrogen cyanide radical h2cn  
225 H2CN+ hydrocyanonium cation h2cn+  
226 HCNH methyleneazane hcnh  
227 HCNH+ N-protonated HCN hcnh+  
228 H2NN Isodiazene h2nn  
229 N2H2 (Z)-Diazene n2h2z  
230 N2H2+ trans-diazene cation n2h2+  
231 CH2NH+ Methanimine cation ch2nh+  
232 CHNH2 aminomethylene chnh2  
233 CHNH2+ Aminocarbene cation chnh2+  
234 BH2NH2 Boranamine bh2nh2  
235 CH2NH2+ methyleneamine cation ch2nh2+  
236 N2H4+ hydrazine cation n2h4+  
237 CH3NH2+ methyl amine cation ch3nh2+  
238 SiH3NH2 Silane, amino sih3nh2  
239 N2H5+ protonated hydrazine n2h5+  
240 BH3PH3 borane phosphine bh3ph3  
241 CH3NH3 methyl ammonium radical ch3nh3  
242 CH3PH3+ methyl phosphine, protonated ch3ph3+  
243 N2H7+ ammonia ammonium dimer n2h7+  
244 LiS Lithium monosulfide lis  
245 LiS+ Lithium sulfide cation lis+  
246 KO Potassium monoxide ko  
247 KO+ Potassium monoxide cation ko+  
248 NaS Sodium sulfide nas  
249 CuO Copper Monoxide cuo  
250 LiSe Lithium monoselenide lise  
251 CaO Calcium monoxide cao  
252 CaS Calcium sulfide cas  
253 ZnO zinc monoxide zno  
254 ZnS Zinc sulfide zns  
255 ScO Scandium monoxide sco  
256 GaO Gallium monoxide gao  
257 GaS Gallium monosulfide gas  
258 TiO Titanium monoxide tio  
259 GeO Germanium monoxide geo  
260 GeO+ Germanium monoxide cation geo+  
261 GeS Germanium monosulfide ges  
262 SiSe Silicon Monoselenide sise  
263 SiSe+ Silicon Monoselenide cation sise+  
264 GeSe Germanium monoselenide gese  
265 VO Vanadium monoxide vo  
266 NSe Nitrogen monoselenide nse  
267 AsS Arsenic monosulfide ass  
268 PSe Phosphorus monoselenide pse  
269 AsSe Arsenic monoselenide asse  
270 O2-- dioxygen dianion o2--  
271 O2+ diatomic oxygen cation o2+  
272 TeO Tellurium monoxide teo  
273 Te2 Tellurium diatomic te2  
274 KOH Potassium hydroxide koh  
275 CaOH Calcium monohydroxide caoh  
276 COH Hydroxymethylidyne coh  
277 COH+ Carbon Monoxide, protonated coh+  
278 HCO- formyl anion hco-  
279 NOH Hydroxyimidogen noh  
280 NOH+ O-protonated nitric oxide noh+  
281 HNS Sulfur imide hns  
282 HNS- Sulfur imide anion hns-  
283 HSO+ Sulfur Monoxide, S-protonated HSO+  
284 SOH Sulfur Hydroxide soh  
285 SOH+ Sulfur Monoxide, protonated soh+  
286 HS2 Thiosulfeno radical hs2  
287 H2CO- formaldehyde anion h2co-  
288 HOCH hydroxycarbene hoch  
289 H2CS- thioformaldehyde anion h2cs-  
290 H2CS+ thioformaldehyde cation h2cs+  
291 H2CSe Selenoformaldehyde h2cse  
292 H2NO nitroxide h2no  
293 H2O2+ Hydrogen peroxide cation h2o2+  
294 H2OO water oxide h2oo  
295 HOSH hydrogen thioperoxide hosh  
296 H2S2+ hydrogen disulfide cation h2s2+  
297 H2Se2 hydrogen diselenide h2se2  
298 CH3O- methoxy anion ch3o-  
299 CH3O+ Methoxy cation ch3o+  
300 H2CSH+ Thioformaldehyde, protonated h2csh+  
301 NH2OH+ Hydroxylamine cation nh2oh+  
302 NH3O Ammonia Oxide nh3o  
303 H2POH Phosphinous acid h2poh  
304 H3PO Phosphine oxide h3po  
305 NH2SH Thiohydroxylamine nh2sh  
306 NH3S sulfidoazane nh3s  
307 H3O2+ hydrogen peroxide, protonated h3o2+  
308 CH3OH- Methyl alcohol anion ch3oh-  
309 CH3OH+ Methyl alcohol cation ch3oh+  
310 CH3SH+ Methanethiol cation ch3sh+  
311 SiH3OH silanol sih3oh  
312 NH2OH2+ protonated hydroxylamine nh2oh2+  
313 NH3OH+ N-protonated hydroxylamine nh3oh+  
314 CH3OH2+ Methanol, protonated ch3oh2+  
315 CH3SH2+ protonated methylsulfide ch3sh2+  
316 H5O2+ Dihydroxonium ion h5o2+  
317 KF Potassium Fluoride kf  
318 KCl Potassium Chloride kcl  
319 CuF Copper monofluoride cuf  
320 CuCl Copper monochloride cucl  
321 KBr Potassium Bromide kbr  
322 LiI Lithium Iodide lii  
323 NaI Sodium Iodide nai  
324 KI Potassium Iodide ki  
325 CaF Calcium monofluoride caf  
326 CaCl calcium monochloride cacl  
327 TiCl Titanium Monochloride ticl  
328 ZnF Zinc monofluoride znf  
329 ZnF- Zinc monofluoride anion znf-  
330 ZnF+ Zinc monofluoride cation znf+  
331 ZnCl Zinc monochloride zncl  
332 CaBr Calcium monobromide cabr  
333 AlCl Aluminum monochloride alcl  
334 ScF Scandium monofluoride scf  
335 BBr Boron monobromide bbr  
336 GaF Gallium monofluoride gaf  
337 GaF+ Gallium monofluoride cation gaf+  
338 AlBr Aluminum monobromide albr  
339 GaCl Gallium monochloride gacl  
340 GaCl+ Gallium monochloride cation gacl+  
341 AlI Aluminum monoiodide ali  
342 GaBr Gallium monobromide gabr  
343 CBr Carbon monobromide cbr  
344 GeF Germanium monofluoride gef  
345 GeF+ Germanium monofluoride cation gef+  
346 GeCl Germanium monochloride gecl  
347 GeCl+ Germanium monochloride cation gecl+  
348 SiBr Silicon monobromide sibr  
349 SiBr+ Silicon monobromide cation sibr+  
350 AsF Arsenic monofluoride asf  
351 NBr nitrogen monobromide nbr  
352 AsCl Arsenic monochloride ascl  
353 PBr Phosphorus monobromide pbr  
354 SbF Antimony monofluoride sbf  
355 SbCl Antimony monochloride sbcl  
356 BrO Bromine monoxide bro  
357 BrO- Bromine monoxide anion bro-  
358 BrO+ Bromine monoxide cation bro+  
359 SeF Selenium monofluoride sef  
360 SBr Sulfur monobromide radical sbr  
361 SBr+ Sulfur monobromide cation sbr+  
362 SeCl Selenium monochloride secl  
363 IO Iodine monoxide io  
364 SeBr Selenium monobromide sebr  
365 IF Iodine monofluoride if  
366 ICl Iodine monochloride icl  
367 IBr Iodine monobromide ibr  
368 I2 Iodine diatomic i2  
369 I2+ Iodine diatomic cation i2+  
370 HCCl Chloromethylene hccl  
371 HSiF fluorosilylene hsif  
372 HSiCl Chlorosilylene hsicl  
373 HSiBr monobromosilylene hsibr  
374 CHBr bromomethylene chbr  
375 HOCl+ hypochlorous acid cation hocl+  
376 HOBr+ Hypobromous acid cation hobr+  
377 HOI Hypoiodous acid hoi  
378 F2H+ Fluorine, protonated f2h+  
379 FHF Hydrogen difluoride fhf  
380 FHF- Hydrogen difluoride anion fhf-  
381 ClFH+ Chlorine fluoride, F-protonated clfh+  
382 FClH+ Chlorine fluoride, Cl-protonated fclh+  
383 Cl2H+ Chlorine, protonated cl2h+  
384 CH2Br bromomethyl radical ch2br  
385 CH2F fluoromethyl radical ch2f  
386 CH2F+ fluoromethyl cation ch2f+  
387 CH2Cl+ chloromethyl cation ch2cl+  
388 CH2Cl chloromethyl radical ch2cl  
389 CH3F+ methyl fluoride cation ch3f+  
390 CD3F methylfluoride-d3 cd3f  
391 CD3Cl methyl chloride d3 cd3cl  
392 CH3Cl+ Methyl chloride cation ch3cl+  
393 GeH3F monofluorogermane geh3f  
394 GeH3Cl monochlorogermane geh3cl  
395 SiH3Br bromosilane sih3br  
396 CH3I methyl iodide ch3i  
397 SiH3I Silyl Iodide sih3i  
398 NH3Cl+ protonated monochloroammonia nh3cl+  
399 CH3ClH+ methyl chloride, protonated ch3clh+  
400 NH4Cl Ammonium chloride nh4cl  
401 LiNe+ Lithium Neon cation line+  
402 Ne2 Neon diatomic ne2  
403 Ne2+ Neon diatomic cation ne2+  
404 Ar2 Argon diatomic ar2  
405 Ar2+ Argon diatomic cation ar2+  
406 Li3 Lithium trimer li3  
407 Li3+ Lithium trimer cation li3+  
408 SiC2 Silicon dicarbide sic2  
409 C3H3 cyclopropenyl radical cpr  
410 C3H4 cyclopropene cprop  
411 CH3CHCH 1-propenyl radical ch3chch  
412 Zn(CH3)2 dimethyl zinc dmz  
413 C3H7+ cyclopropane, protonated c3h7+  
414 CH3CHCH3+ Isopropyl cation prop2yl+  
415 Si3H8 trisilane si3h8  
416 LiCN lithium cyanide licn  
417 NaCN Sodium Cyanide nacn  
418 KCN Potassium cyanide kcn  
419 CuCN Copper cyanide cucn  
420 ZnCN Zinc monocyanide zncn  
421 ZnNC Zinc isocyanide znnc  
422 AlCN Aluminum monocyanide alcn  
423 AlNC Aluminum isocyanide alnc  
424 CN2 3H-Diazirin-3-ylidene cn2  
425 CNN Diazocarbene cnn  
426 NCN Cyanoimidogen ncn  
427 N3+ azide cation n3+  
428 HCCN cyanomethylene hccn  
429 HCNN diazomethyl radical hcnn  
430 HN3+ Hydrazoic acid cation hn3+  
431 HNCNH diiminomethane hncnh  
432 CH2N2 diazirine ch2n2  
433 HNNNH+ 1,2-Triazadienium n2h3+  
434 NH2NN+ hydrazoic acid, protonated nh2nn+  
435 CH3CN- acetonitrile anion ch3cn-  
436 CH3CN+ Acetonitrile cation ch3cn+  
437 CHNCH2 2H-Azirine c157164  
438 CHNHCH 1H-Azirine chnhch  
439 H2CCNH Ethenimine ch2cnh  
440 H2CNCH methyleneaminomethylene ch2nch  
441 HCCNH2 Ethynamine hccnh2  
442 HCNCH2+ 2H-Azirine cation hcnch2+  
443 HNCNH2+ diiminomethane, protonated hncnh2+  
444 NCNH3+ Cyanamide, protonated ncnh3+  
445 NH2CNH+ cyanamide, cn protonated nh2cnh+  
446 NH3CN+ cyanamide, amine protonated nh3cn+  
447 CH2CHNH vinylazine ch2chnh  
448 CH3CHN methylmethaniminyl radical ch3chn  
449 NH2BHNH2 diaminoborane nh2bhnh2  
450 C2H5NH+ Protonated Aziridine c2h5nh+  
451 C2H6N+ aziridine, protonated c2h6n+  
452 NH2CH2NH2 diaminomethane nh2ch2nh2  
453 CH3PHCH3 dimethylphosphine ch3phch3  
454 NH2CH2NH3+ diaminoethane, protonated pdam  
455 (CH3)2NH2+ dimethylammonium cation dmam  
456 CH3CH2NH3+ ethylamine, protonated pea  
457 Li2O+ dilithium oxide cation li2o+  
458 Li2S dilithium sulfide li2s  
459 Na2S Sodium sulfide na2s  
460 LiO2 Lithium dioxide lio2  
461 NaO2 Sodium superoxide nao2  
462 CCO Dicarbon monoxide cco  
463 CNO- fulminate cno-  
464 NNS Nitrogen sulfide nns  
465 PPO Phosphorus oxide phosphide ppo  
466 CS2- Carbon disulfide anion cs2-  
467 TiO2 Titanium dioxide tio2  
468 SiS2 Silicon disulfide sis2  
469 GeO2 Germanium dioxide geo2  
470 SCSe Carbon sulfide selenide scse  
471 GeS2 Germanium disulfide ges2  
472 CSe2 Carbon diselenide cse2  
473 SCTe Carbon sulfide Telluride scte  
474 NSO sulfinyl amidogen NSO  
475 PO2- Phosphorus dioxide anion po2-  
476 SNO Nitrogen oxide sulfide sno  
477 AsO2 Aresenic dioxide aso2  
478 SO2- Sulfur dioxide anion so2-  
479 S3- Sulfur trimer anion s3-  
480 S3+ Sulfur trimer cation s3+  
481 SeO2+ Selenium dioxide cation seo2+  
482 TeO2 Tellurium Dioxide teo2  
483 CS2H+ Carbon disulfide, protonated cs2h+  
484 HNCS Isothiocyanic acid hncs  
485 HSCN thiocyanic acid hscn  
486 HNNO nitrosoazane hnno  
487 HNNO+ Nitrous oxide, N-protonated hnno+  
488 NNOH+ Nitrous Oxide, O-protonated nnoh+  
489 HCOO formate neutral radical hcoo  
490 O3H+ protonated ozone o3h+  
491 SO2H+ protonated sulfur dioxide so2h+  
492 C2H2O Oxirene oxirene  
493 CH2CS Thioketene ch2cs  
494 Be(OH)2 Beryllium hydroxide beo2h2  
495 Mg(OH)2 Magnesium dihydroxide h2mgo2  
496 NH2NO Nitrosamide nh2no  
497 H2COO Dioxymethyl radical h2coo  
498 H2COO+ dioxymethyl cation h2coo+  
499 H2O3 Hydrogen trioxide h2o3  
500 HSSSH trisulfane hsssh  
501 NaOCH3 Sodium methoxide naoch3  
502 CH2BOH hydroxy(methylene)borane ch2boh  
503 BH3CO Borane carbonyl bh3co  
504 CH3BO Borane, methyloxo- ch3bo  
505 CH2CHO Vinyloxy radical ch2cho  
506 CH2COH+ ketene, protonated ch2coh+  
507 CH3CO- Acetyl anion ch3co-  
508 CH2NOH formaldoxime ch2noh  
509 CH3NO nitrosomethane ch3no  
510 CNOH3 1,2-oxaziridine cnoh3  
511 HOCHNH hydroxymethylimine hochnh  
512 CHSNH2 thioformamide chsnh2  
513 NHCHSH Methanimidothioic acid nhchsh  
514 CH2OOH CH2OOH radical ch2ooh  
515 CH3OO- methylperoxy anion ch3oo-  
516 CH3OO+ methylperoxy cation ch3oo+  
517 C2H4O+ ethylene oxide cation c2h4o+  
518 CH3CHO+ acetaldehyde cation ch3cho+  
519 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
520 CH2CHSH Ethenethiol ch2chsh  
521 H2CONH2+ protonated formamide h2conh2+  
522 NH2CHOH+ Formamide, O-protonated nh2choh+  
523 NH3CHO+ Formamide, N-Protonated nh3cho+  
524 CH2(OH)2 methanediol ch2o2h2  
525 CH3SSH Hydrogen methyl disulfide ch3ssh  
526 HSCH2SH Methanedithiol ch4s2  
527 C2H4OH+ ethylene oxide, protonated c2h4oh+  
528 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
529 CH3CH2O Ethoxy radical ethoxy  
530 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
531 CH3CHOH+ acetaldehyde, protonated ch3choh+  
532 CH3OCH2 methoxymethyl radical ch3och2  
533 NH2CH2OH aminomethanol nh2ch2oh  
534 CH3SCH3+ dimethyl sulfide cation mesme+  
535 CH3SeCH3 dimethylselenide dmse  
536 CuF2 Copper difluoride cuf2  
537 ZnF2 Zinc difluoride znf2  
538 CNF iso cyanogen fluoride cnf  
539 ICN Cyanogen iodide icn  
540 FBO Boron monofluoride monoxide fbo  
541 BeF2 Beryllium fluoride bef2  
542 MgF2 Magnesium fluoride mgf2  
543 BeCl2 Beryllium chloride becl2  
544 CaCl2 Calcium Chloride cacl2  
545 ZnCl2 Zinc dichloride zncl2  
546 BeBr2 Beryllium bromide bebr2  
547 CaBr2 Calcium dibromide cabr2  
548 CaF2 Calcium difluoride caf2  
549 FCO Carbonyl fluoride fco  
550 FCO+ Carbonyl fluoride cation fco+  
551 ClCO carbonyl monochloride clco  
552 BF2 Boron difluoride radical bf2  
553 FNS Thionitrosyl fluoride fns  
554 FSN Thiazyl fluoride fsn  
555 OPCl Phosphorus oxychloride opcl  
556 BrNO Nitrosyl bromide brno  
557 INO Nitrosyl iodide ino  
558 CFCl chlorofluoromethylene cfcl  
559 SiF2 Silicon difluoride sif2  
560 SiF2+ Silicon difluoride cation sif2+  
561 CCl2- dichloromethylene anion ccl2-  
562 GeF2 Germanium difluoride gef2  
563 GeCl2 Germanium dichloride gecl2  
564 CBr2 dibromomethylene cbr2  
565 FOO+ Fluorine dioxide cation foo+  
566 OClO- Chlorine dioxide anion oclo-  
567 OClO+ Chlorine dioxide cation oclo+  
568 ClSO Sulfur chloride oxide clso  
569 BrOO Bromine dioxide broo  
570 OBrO Bromine dioxide radical obro  
571 PF2 Phosphorus difluoride pf2  
572 PF2+ Phosphorus difluoride cation pf2+  
573 FClO chlorosyl fluoride fclo  
574 ClOF Chlorine hypofluorite clof  
575 SeF2 Selenium difluoride sef2  
576 BrOCl Bromine hypochlorite brocl  
577 SeCl2 Selenium Dichloride secl2  
578 SBr2 Sulfur dibromide sbr2  
579 SeBr2 Selenium dibromide sebr2  
580 BrOBr Bromine oxide brobr  
581 F3- trifluoride anion f3-  
582 Cl3- trichloride anion cl3-  
583 Br3- tribromide anion br3-  
584 I3- triiodide i3-  
585 SFCl Sulfur chloride fluoride sfcl  
586 HCCF+ fluoroacetylene cation hccf+  
587 HCCCl Chloroacetylene hcccl  
588 HCCBr bromoacetylene hccbr  
589 HFCO formyl fluoride hfco  
590 HFCO+ formyl fluoride cation hfco+  
591 COHCl Formyl chloride cohcl  
592 COHBr Formyl bromide cohbr  
593 CHCl2 dichloromethyl radical chcl2  
594 CHF2 difluoromethyl radical chf2  
595 CHF2+ difluoromethyl cation chf2+  
596 CHFCl Chlorofluoromethyl radical chfcl  
597 CHFCl+ Chlorofluoromethyl cation chfcl+  
598 CHCl2+ dichloromethyl cation chcl2+  
599 CHBr2 dibromomethyl radical chbr2  
600 HOClO Chlorous acid hoclo  
601 NHF2 difluoramine nhf2  
602 NHCl2 dichloroamine nhcl2  
603 SiH2F2 difluorosilane sih2f2  
604 CH2BrF Methane, bromofluoro- ch2fbr  
605 CH2BrCl Methane, bromochloro- ch2clbr  
606 CH2FI fluoroiodomethane ch2fi  
607 CH2ClI chloroiodomethane ch2cli  
608 CH2BrI bromoiodomethane ch2bri  
609 CH2I2 Diiodomethane ch2i2  
610 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
611 CH2CHF+ fluoroethene cation ch2chf+  
612 C2H3I Vinyl iodide c2h3i  
613 CH2FOH fluoromethanol ch2foh  
614 CH3OCl methyl hypochlorite ch3ocl  
615 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
616 CHClCH3 1-chloroethyl radical chclch3  
617 CH3SiFH2 fluoromethylsilane ch3sifh2  
618 C2H5I Ethyl iodide c2h5i  
619 KrF2 Krypton difluoride krf2  
620 XeF2 Xenon difluoride xef2  
621 B4H10 Tetraborane(10) b4h10  
622 C4+ Carbon tetramer cation c4+  
623 C4H2+ diacetlyene cation c4h2+  
624 C4H4 cyclobutadiene cbd  
625 C4H4 Tetrahedrane c4h4  
626 CHCCH2CH3 1-Butyne c107006  
627 CH3CHCHCH2 methylallyl radical c4h7  
628 C4H8 methylcyclopropane mcp  
629 CH2CHCH2CH3 1-Butene bute1  
630 B(CH3)3 trimethylborane bme3  
631 Al(CH3)3 trimethyl aluminum tma  
632 SiH(CH3)3 trimethylsilane trimsi  
633 Li3N trilithium nitride li3n  
634 C2N2+ Cyanogen cation c2n2+  
635 As4 Arsenic tetramer as4  
636 HCCCN+ Cyanoacetylene cation hcccn+  
637 H2CNCN cyanamide, methylene ch2ncn  
638 HNCCNH Ethenediimine hnccnh  
639 C3H3N+ acrylonitrile cation ch2chcn+  
640 CH3N3 methyl azide ch3n3  
641 NH2CCNH2 Diaminoacetylene daa  
642 NH2CH2CN Aminoacetonitrile aan  
643 CH3NHN2+ methyl azide, protonated ch3nhn2+  
644 C2H5CN ethyl cyanide c2h5cn  
645 CH5N3 Guanidine guanidine  
646 C4H6 Bicyclo[1.1.0]butane c157335  
647 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
648 H2NCHCHNH2 diaminoethylene dae  
649 CH6N3+ guanidinium ch6n3+  
650 CH7N3 triaminomethane tam  
651 C3H7N Azetidine azet  
652 CH3NHNHCH3 dimethyl hydrazine dmh  
653 P(CH3)3 trimethylphosphine tmp  
654 N(SiH3)3 trisilylamine tsa  
655 As(CH3)3 trimethyl arsine tmas  
656 (CH3)3NH+ protonated trimethyl amine ptma  
657 C3H7NH3+ n-propylamine, protonated c3h7nh2  
658 Li2O2 dilithium dioxide li2o2  
659 Na2O2 disodium dioxide na2o2  
660 K2O2 dipotassium dioxide k2o2  
661 C3O Tricarbon monoxide c3o  
662 ONNO NO dimer onno  
663 S2N2 Disulfur dinitride s2n2  
664 CO3 Carbon trioxide co3  
665 CS3-- Carbonotrithioate cs3--  
666 NO3- nitrate anion no3-  
667 NO3+ nitrogen trioxide cation no3+  
668 SO3-- Sulfate dianion so3--  
669 SO3+ Sulfur trioxide cation so3+  
670 SeO3 selenium trioxide seo3  
671 S4 Sulfur tetramer s4  
672 TeO3 Tellurium trioxide teo3  
673 HCO3- bicarbonate anion hco3-  
674 HSO3 Hydroxysulfonyl radical hso3  
675 NH2NO2 nitramide nh2no2  
676 C2H2CO cyclopropenone c2h2co  
677 C3H2O Propadienal c3h2o  
678 HCCCHO 2-propynal hcccho  
679 C2H2O2+ Ethanedial cation c2h2o2+  
680 H2CO3 Carbonic acid h2co3  
681 H2CS3 thiocarbonic acid h2cs3  
682 H2NO3+ Nitric Acid, Protonated h2no3+  
683 H2SO3 Sulfurous acid h2so3  
684 C2H3NO Nitrosoethylene c2h3no  
685 CH3NCO methylisocyante ch3nco  
686 HOCH2CN cyanomethanol hoch2cn  
687 NH2COOH Carbamic acid nh2cooh  
688 H3BO3 Boric acid h3bo3  
689 H3AlO3 Aluminum hydroxide h3alo3  
690 H3CO3+ carbonic acid, protonated h3co3+  
691 NH2CONH2+ Urea cation urea+  
692 C2H4O2 1,3-dioxetane c2h4o2  
693 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
694 NH3COOH+ protonated Carbamic acid nh3cooh+  
695 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
696 CH3COCH2 Acetonyl radical ch3coch2  
697 CH2C(OH)NH2 1-amino vinyl alchohol ava  
698 CH3C(OH)=NH Ethaninidic acid eia  
699 HCONHCH3 N-methylformamide nmfa  
700 CH3CSNH2 Ethanethioamide ch3csnh2  
701 CH5N2O+ urea, N-protonated ch4n2o+  
702 H2NCOHNH2+ urea, protonated ureah+  
703 C2H5OO ethylperoxy radical c2h5oo  
704 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
705 C3H5OH Cyclopropanol cproh  
706 C3H6O 2-Propen-1-ol c107186  
707 C3H6O Acetone enol enol  
708 C3H6O Oxetane oxetane  
709 CH3COCH3- acetone anion ch3coch3-  
710 CH3CSCH3 Thioacetone ch3csch3  
711 CH3OOCH3 dimethylperoxide dmp  
712 CH3COHCH3+ acetone, protonated acetoneh+  
713 HOCH2CH2NH2 monoethanolamine mea  
714 C3H7OH 1-Propanol proh  
715 Li2F2 Lithium fluoride dimer li2f2  
716 Na2F2 Sodium Fluoride Dimer na2f2  
717 C2Cl2+ dichloroacetylene cation c2cl2+  
718 FNO2 Nitryl fluoride fno2  
719 FONO Nitrosyl hypofluorite fono  
720 ClONO chlorine nitrite clono  
721 BrONO Bromine nitrite brono  
722 CF2O+ Carbonic difluoride cation f2co+  
723 COFCl Carbonic chloride fluoride cofcl  
724 Cl2CS Thiophosgene cl2cs  
725 COBr2 Carbonic dibromide cobr2  
726 BF3- Borane, trifluoro- anion bf3-  
727 BF3+ boron trifluoride cation bf3+  
728 BClF2 Chlorodifluoroborane bclf2  
729 ScF3 Scandium trifluoride ScF3  
730 BCl3+ Boron Trichloride cation bcl3+  
731 GaF3 Gallium trifluoride gaf3  
732 GaCl3 Gallium trichloride gacl3  
733 BBr3 Boron tribromide bbr3  
734 AlBr3 Aluminum Bromide albr3  
735 ClO3 Chlorine trioxide clo3  
736 BrO3- Bromate anion bro3-  
737 CF2Cl difluorochloromethyl radical cf2cl  
738 SiF3 Silicon trifluoride radical sif3  
739 SiF3+ Silicon trifluoride cation sif3+  
740 CFCl2 dichlorofluoromethyl radical cfcl2  
741 CCl3+ Trichloromethyl cation ccl3+  
742 SiCl3 trichlorosilyl radical sicl3  
743 SiCl3+ trichlorosilyl cation sicl3+  
744 CBr3 tribromomethyl radical cbr3  
745 FOOF Perfluoroperoxide foof  
746 ClO2F Chloryl fluoride clo2f  
747 F2SO Thionyl Fluoride f2so  
748 ClOOCl Dichlorine dioxide cloocl  
749 FSSF Difluorodisulfane fssf  
750 S2F2 Thio-thionyl fluoride s2f2  
751 SSCl2 Thiothionyl chloride sscl2  
752 SeOCl2 selenium oxychloride seocl2  
753 NF3+ Nitrogen trifluoride cation nf3+  
754 NCl3 nitrogen trichloride ncl3  
755 AsF3 Arsenic trifluoride asf3  
756 SbF3 Antimony Trifluoride sbf3  
757 AsCl3 Arsenous trichloride ascl3  
758 SbCl3 Antimony Trichloride sbcl3  
759 NBr3 Nitrogen Tribromide nbr3  
760 PBr3 Phosphorus tribromide pbr3  
761 AsBr3 Arsenic tribromide asbr3  
762 NI3 Nitrogen triiodide ni3  
763 PI3 Phosphorus triiodide pi3  
764 SF3 Sulfur trifluoride sf3  
765 ClF3 Chlorine trifluoride clf3  
766 IF3 iodone trifluoride if3  
767 HClO3 Chloric Acid hclo3  
768 SiHF3 trifluorosilane sihf3  
769 CDCl3 trichloromethane-d cdcl3  
770 CHBrF2 Methane, bromodifluoro- chbrf2  
771 CHFClBr fluorochlorobromomethane chfclbr  
772 CHBrCl2 Methane, bromodichloro- chbrcl2  
773 CHF2I difluoroiodomethane chf2i  
774 CHBr2F dibromofluoromethane chbr2f  
775 CHFClI fluorochloroiodomethane chfcli  
776 CHCl2I dichloroiodomethane chcl2i  
777 CHClBr2 Methane, dibromochloro- chclbr2  
778 CHI3 Iodoform chi3  
779 NF3H+ protonated nitrogen trifluoride nf3h+  
780 AsF3H+ Arsenic trifluoride, protonated asf3h+  
781 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
782 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
783 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
784 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
785 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
786 C2H2Br2 1,1-dibromoethene c2h2br2  
787 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
788 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
789 CH2FCHO Fluoroacetaldehyde ch2fcho  
790 CH2ClCHO chloroacetaldehyde ch2clcho  
791 C2H4F2 1,2-difluoroethane c2h4f2  
792 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
793 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
794 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
795 CH2CFCH3 2-fluoropropene 2fpro  
796 CH2CHCH2F Allyl Fluoride allylf  
797 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
798 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
799 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
800 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
801 CH2FCH2CH3 1-Fluoropropane prf1  
802 CH3CHFCH3 2-Fluoropropane prf2  
803 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
804 CH3CHClCH3 Propane, 2-chloro- prcl2  
805 CH3CH2CH2Br n-propyl bromide prbr  
806 CH3CHBrCH3 i-propyl bromide iprbr  
807 C3H9O+ trimethyl oxonium cation c3h9o+  
808 B5H9 pentaborane9 b5h9  
809 C5H4 pentatetraene ptrene  
810 C5H5 cyclopentadienyl radical c5h5  
811 C5H6 1,3-Cyclopentadiene c542927  
812 C5H6 1-Buten-3-yne, 2-methyl- c78808  
813 C5H6 3-Penten-1-yne, (E)- c2004695  
814 C5H6 3-Penten-1-yne, (Z)- c1574409  
815 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
816 C5H6 Cyclopropylacetylene c6746947  
817 C5H6 Propellane propellane  
818 C5H7 1,3-pentadienyl radical pdyl  
819 C5H7 cyclopentenyl radical cpyl  
820 C5H8 1,2-Butadiene, 3-methyl- c598254  
821 C5H8 1,2-Pentadiene c591957  
822 C5H8 1,3-Butadiene, 2-methyl- c78795  
823 C5H8 1,3-Pentadiene, (E)- c2004708  
824 C5H8 1,3-Pentadiene, (Z)- c1574410  
825 C5H8 1,4-Pentadiene c591935  
826 C5H8 1-pentyne a1pentyne  
827 C5H8 2,3-Pentadiene c591968  
828 C5H8 Bicyclo[1.1.1]pentane bcp  
829 C5H8 Cyclobutane, methylene- c1120565  
830 C5H8 Cyclopentene c142290  
831 C5H8 Ethenylcyclopropane c693867  
832 CH3CCCH2CH3 2-Pentyne 2pentyne  
833 C5H10 1-Butene, 2-methyl- c563462  
834 C5H10 2-Butene, 2-methyl- c513359  
835 C5H10 2-Pentene, (E)- c646048  
836 C5H10 2-Pentene, (Z)- c627203  
837 C5H10 Cyclopentane c287923  
838 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
839 CH2CHCH2CH2CH3 1-pentene pentene  
840 C5H11 2-Methylbut-2-yl radical c4348350  
841 C5H12 Butane, 2-methyl- buta2  
842 C5H12 Pentane pentane  
843 C5H12 Propane, 2,2-dimethyl- neopentane  
844 Si(CH3)4 tetramethylsilane tms  
845 N2O3 Dinitrogen trioxide n2o3  
846 C3H2N2 Malononitrile c3h2n2  
847 CH2N4 1H-Tetrazole 1htz  
848 C3H3N2 imidazolyl radical im  
849 C3H3N2- imidizolyl anion im-  
850 C2H3N3 1H-1,2,4-Triazole c288880  
851 C4H4N pyrrolide radical c4h4n  
852 C4H4N- pyrrolide anion c4h4n-  
853 C3H4N2 1H-Imidazole 1himidaz  
854 C3H4N2 1H-Pyrazole 1hpyraz  
855 C3H4N2 2H-Imidazole imid2h  
856 C3H4N2 4H-Imidazole imid4h  
857 C4H5N (E)-2-Butenenitrile c627269  
858 C4H5N (Z)-2-Butenenitrile c1190767  
859 C4H5N 2H-pyrrole pyrrole2  
860 C4H5N 3H-pyrrole pyrrole3  
861 C4H5N Cyclopropanecarbonitrile c5500210  
862 C4H5N Pyrrole pyrrole  
863 CH2CHCH2CN Allylcyanide ch2chch2cn  
864 C4H6N+ pyrrole, alpha-protonated appyr  
865 C4H6N+ pyrrole, beta-protonated bppyr  
866 C4H6N+ pyrrole, protonated ppyr  
867 C3H6N2 3-Aminopropionitrile c151188  
868 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
869 CH3CH2CH2CN Butanenitrile c109740  
870 C5H8 Bicyclo[2.1.0]pentane c185944  
871 C5H8 Spiropentane c157404  
872 C4H9N Cyclobutylamine cbam  
873 C4H9N Pyrrolidine pyrrolidine  
874 C3H10N2 1,2-Diaminopropane diampr12  
875 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
876 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
877 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
878 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
879 NH(C2H5)2 diethylamine dea  
880 NC4H12+ tetramethyl ammonium cation nc4h12+  
881 C3O2 Carbon suboxide c3o2  
882 C3O2+ Carbon suboxide cation c3o2+  
883 B2O3 diboron trioxide b2o3  
884 MgCO3 Magnesium Carbonate mgco3  
885 BeCO3 Beryllium Carbonate beco3  
886 CaCO3 Calcium Carbonate caco3  
887 ONONO Nitrosyl nitrite onono  
888 PO4--- phosphate po4---  
889 HOONO2 peroxy nitric acid hoono2  
890 HSO4- bisulfate anion hso4-  
891 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
892 C3H2O2 Propiolic acid c3h2o2  
893 CHOCOOH oxo acetic acid oaa  
894 CHOOCHO diformyl ether choocho  
895 H2SO4 Sulfuric acid h2so4  
896 H2SeO4 Selenic acid h2seo4  
897 C3H3NO Isoxazole isox  
898 C3H3NO Oxazole oxazole  
899 C3H3NS Thiazole thiazole  
900 CH3C(O)OO acetyl peroxy radical ch3coo2  
901 CH3NO3 Methyl nitrate ch3no3  
902 H3PO4 Phosphoric Acid h3po4  
903 C4H4O Furan furan  
904 C4H4O+ Furan cation furan+  
905 CH3COCCH 3-butyn-2-one c1423605  
906 C4H4S Thiophene furans  
907 C4H4Se selenophene c4h4se  
908 C3H4O2 β–Propiolactone beta  
909 C3H4O2 2-Propenoic acid propenoic2  
910 C3H4O2 Methyl glyoxal megly  
911 C3H4O2 propanedial propanedial  
912 C3H4O2 propenalol propenalol  
913 HOCHCCHOH allenediol aldiol  
914 C2H4O3 1,2,3-trioxolane c2h4o3  
915 C2H4O3 trioxolane124 triox  
916 HOCH2COOH Hydroxyacetic acid hac  
917 CH2CHCONH2 Acrylamide c79061  
918 CH3OCH2CN Methoxyacetonitrile c1738369  
919 CH5N3S Hydrazinecarbothioamide c79196  
920 H2NCH2COOH Glycine glycine  
921 CH3SO2NH2 methanesulfonamide ch3so2nh2  
922 C4H6O cis-2-butenal butenal2c  
923 C4H6O Cyclobutanone cbutone  
924 C4H6O Furan, 2,3-dihydro- furan23h  
925 C4H6O Furan, 2,5-dihydro- furan25h  
926 CH2CHOCHCH2 Vinyl ether vinylether  
927 CHOCHCHCH3 2-Butenal butenal2  
928 C4H6S Thiophene, 2,3-dihydro- thiop23h  
929 C4H6S Thiophene, 2,5-dihydro- thiop25h  
930 CH2CHSCHCH2 Divinyl sulfide divis  
931 C2H6N2O Urea, methyl- c598505  
932 C3H6O2 1,3-Dioxolane dioxolane  
933 CH3CH2COOH Propanoic Acid propanoic  
934 CH3COOCH3 methyl acetate aame  
935 HCOOC2H5 Ethyl formate faee  
936 C2H6O2S Dimethyl sulfone c67710  
937 CH3SSSCH3 dimethyl trisulfide c2h6s3  
938 C3H7NO dimethylformamide dmf  
939 C3H7NO Propanamide propanam  
940 C2H3OC2H5 Ethene, ethoxy- c109922  
941 C4H8O Cyclobutanol c2919235  
942 C4H8O Furan, tetrahydro- thf  
943 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
944 CH3COCH2CH3 2-Butanone buta2one  
945 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
946 CHOCH2CH2CH3 Butanal butanal  
947 C4H8S Thiophene, tetrahydro- tht  
948 C3H8O2 1,3-Propanediol c504632  
949 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
950 C3H8O2 Methane, dimethoxy- c109875  
951 C3H8O2 Propylene glycol c57556  
952 C3H8S2 1,3-Propanedithiol c109808  
953 C4H10O 1-Butanol butanol1  
954 C4H10O 1-Propanol, 2-methyl- c78831  
955 C4H10O 2-Butanol, (.+/-.)- butanol2  
956 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
957 C4H10O Ethoxy ethane etoet  
958 C4H10O Methyl propyl ether meopr  
959 C4H10O Propane, 2-methoxy- c598538  
960 C4H10O+ 1-Butanol cation butanol1+  
961 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
962 C2H5SC2H5 Diethyl sulfide etset  
963 C4H9SH 1-Butanethiol bush  
964 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
965 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
966 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
967 FNO3 Fluorine nitrate fno3  
968 ClONO2 Chlorine nitrate clono2  
969 BrONO2 Bromine nitrate brono2  
970 TiCl4 Titanium tetrachloride ticl4  
971 ClFO3 Perchloryl fluoride clfo3  
972 SO2F2 Sulfuryl fluoride so2f2  
973 SO2Cl2 Sulfuryl chloride so2cl2  
974 F3NO Nitrogen trifluoride oxide f3no  
975 F3PO Phosphoryl fluoride pf3o  
976 Cl3PO Phosphoryl chloride pcl3o  
977 CF4 Carbon tetrafluoride cf4  
978 CF3Cl Methane, chlorotrifluoro- cf3cl  
979 SiF4 Silicon tetrafluoride sif4  
980 CF2Cl2 difluorodichloromethane cf2cl2  
981 TiF4 Titanium tetrafluoride tif4  
982 CFCl3 Trichloromonofluoromethane cfcl3  
983 CF3Br Bromotrifluoromethane cf3br  
984 GeF4 Germanium tetrafluoride gef4  
985 CCl4 Carbon tetrachloride ccl4  
986 CCl4+ Carbon tetrachloride cation ccl4+  
987 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
988 SiCl4 Silane, tetrachloro- sicl4  
989 CBrCl2F bromodichlorofluoromethane cbrcl2f  
990 CF3I trifluoroiodomethane cf3i  
991 CBrCl3 Methane, bromotrichloro- cbrcl3  
992 CBr2F2 Methane, dibromodifluoro- cbr2f2  
993 GeCl4 Germanium Tetrachloride gecl4  
994 CBr2ClF dibromochlorofluoromethane cbr2clf  
995 CBr2Cl2 dibromodichloromethane cbr2cl2  
996 CCl3I trichloroiodomethane ccl3i  
997 CFBr3 fluorotribromomethane cfbr3  
998 CFClBrI fluorochlorobromoiodomethane cfclbri  
999 CBr3Cl tribromochloromethane cbr3cl  
1000 CF2I2 difluorodiiodomethane cf2i2  
1001 CBr4 Carbon tetrabromide cbr4  
1002 CCl2I2 dichlorodiiodomethane ccl2i2  
1003 SiBr4 Silicon tetrabromide sibr4  
1004 CBr3I tribromoiododmethane cbr3i  
1005 GeBr4 Germanium tetrabromide gebr4  
1006 CI4 tetraiodomethane ci4  
1007 SiI4 silicon tetraiodide sii4  
1008 ClOF3 Chlorine trifluoride oxide clof3  
1009 SF4 Sulfur tetrafluoride sf4  
1010 SeF4 Selenium tetrafluoride sef4  
1011 SCl4 Sulfur tetrachloride scl4  
1012 C2HF3 Trifluoroethylene c2hf3  
1013 C2HF3+ Trifluoroethylene cation c2hf3+  
1014 CHClCCl2 Trichloroethylene chclccl2  
1015 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1016 HClO4 perchloric acid hclo4  
1017 HSO3F Fluorosulfonic acid hso3f  
1018 CF3OH trifluoromethanol cf3oh  
1019 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1020 CHClCCHCl 1,3-dichloroallene chclcchcl  
1021 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1022 CHCl2CHO dichloroacetaldehyde chcl2cho  
1023 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1024 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1025 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1026 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1027 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1028 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1029 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1030 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1031 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1032 NH3BCl3 Amminetrichloroboron nh3bcl3  
1033 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1034 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1035 C3H5ClO Oxirane, (chloromethyl)- c106898  
1036 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1037 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1038 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1039 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1040 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1041 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1042 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1043 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1044 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1045 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1046 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1047 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1048 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1049 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1050 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1051 C4H9F 1-fluorobutane butaf1  
1052 CH3CHFCH2CH3 2-fluorobutane butaf2  
1053 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1054 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1055 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1056 XeF4 Xenon tetrafluoride xef4  
1057 C2H2N2O Furazan furazan  
1058 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1059 NH3BF3 Amminetrifluoroboron nh3bf3  
1060 C6H2 hexatriyne c6h2  
1061 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1062 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1063 C6H4 Benzyne benzyne  
1064 C6H5 phenyl phenyl  
1065 C6H5- phenyl anion phenyl-  
1066 C6H6 Prismane prismane  
1067 C6H6 1,2,4,5-Hexatetraene ht1245  
1068 C6H6 2,4-Hexadiyne hexadiyne  
1069 C6H6 3,4-Dimethylenecyclobutene cb34m  
1070 C6H6 Benzene benzene  
1071 C6H6 Benzvalene bv  
1072 C6H6 Dewar Benzene dewar  
1073 C6H6 Hexa-1,5-diene-3-yne hdy153  
1074 C6H6 Trimethylenecycopropane tmcp  
1075 C6H6+ Benzene cation c6h6+  
1076 C6H7+ benzene, protonated c6h7+  
1077 C6H8 (E)-hexa-1,3,5-triene c821078  
1078 C6H8 (E)-hexa-2,3,4-triene c59660650  
1079 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1080 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1081 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1082 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1083 C6H8 3-Methylenecyclopentene c930267  
1084 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1085 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1086 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1087 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1088 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1089 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1090 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1091 C6H10 1,5-Hexadiene c592427  
1092 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1093 C6H10 1-Hexyne hexyne1  
1094 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1095 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1096 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1097 C6H10 2-Hexyne c764352  
1098 C6H10 3-Hexyne hexyne3  
1099 C6H10 cyclohexene cyclohexene  
1100 C6H10 Cyclopentene, 1-methyl- c693890  
1101 C6H10 Cyclopentene, 3-methyl- c1120623  
1102 C6H10 Cyclopentene, 4-methyl- c1759815  
1103 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1104 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1105 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1106 C6H12 (E)-2-Hexene e2hexene  
1107 C6H12 (E)-3-methylpent-2-ene c616126  
1108 C6H12 (E)-hex-3-ene e3hexene  
1109 C6H12 (Z)-3-methylpent-2-ene c922623  
1110 C6H12 (Z)-hex-2-ene z2hexene  
1111 C6H12 (Z)-hex-3-ene z3hexene  
1112 C6H12 2,3-dimethylbut-1-ene c563780  
1113 C6H12 2,3-dimethyl-but-2-ene tmeet  
1114 C6H12 3-methylenepentane c760214  
1115 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1116 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1117 C6H12 Cyclohexane cyclohexane  
1118 C6H12 Cyclopentane, methyl- c96377  
1119 C6H12 Ethylcyclobutane c4806615  
1120 C6H12 hex-1-ene hexene1  
1121 C6H14 Butane, 2,2-dimethyl- buta22  
1122 C6H14 Butane, 2,3-dimethyl- buta23  
1123 C6H14 Hexane hexane  
1124 C6H14 Pentane, 2-methyl- penta2  
1125 C6H14 Pentane, 3-methyl- penta3  
1126 C4N2 2-Butynedinitrile c4n2  
1127 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1128 C4H2N2 Fumaronitrile c4h2n2  
1129 C2H2N4 sym-tetrazine ttz  
1130 C3H3N3 1,3,5-Triazine triazine135  
1131 CH3N5 5-Aminotetrazole c4418615  
1132 C4H4N2 1,3-Diazine diazine13  
1133 C4H4N2 Pyrazine pyrazine  
1134 C4H4N2 Pyridazine pyridazine  
1135 C4H4N2 Succinonitrile c110612  
1136 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1137 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1138 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1139 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1140 C5H5N E-2,4-pentadienenitrile bdcn  
1141 C5H5N Pyridine pyridine  
1142 B3N3H6 borazine borazine  
1143 C6H6 Fulvene fulvene  
1144 C5H6N+ Pyridinium c5h6n  
1145 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1146 C5H7N (E)-2-Pentenenitrile c26294984  
1147 C5H7N (E)-3-Pentenenitrile c16529661  
1148 C5H7N (Z)-2-Pentenenitrile c25899507  
1149 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1150 C5H7N Cyclobutanecarbonitrile c4426113  
1151 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1152 C5H9N Butanenitrile, 2-methyl- c18936179  
1153 C5H9N Pentanenitrile c110598  
1154 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1155 C6H10 Bicyclo[3.1.0]hexane c285585  
1156 C5H11N Cyclopentanamine cypentam  
1157 C5H11N Piperidine piper  
1158 C4H12N2 1,2-Butanediamine c4426486  
1159 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1160 Li2CO3 Lithium Carbonate li2co3  
1161 Na2CO3 Sodium Carbonate na2co3  
1162 C2O4-- oxalate anion c2o4  
1163 MgSO4 Magnesium Sulfate mgso4  
1164 N2O4 Dinitrogen tetroxide n2o4  
1165 C3H2O3 vinylene carbonate vica  
1166 C2H2O4 Oxalic Acid oxalic  
1167 C2H3NO3 Oxamic acid oxamic  
1168 C4H4O2 2(5H)-Furanone furanone  
1169 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1170 C2H4N2O2 Oxalamide oxalamide  
1171 C2H4N2S2 Ethanedithioamide c79403  
1172 C2H4CO3 Ethylene carbonate etco3  
1173 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1174 C3H4S3 1,3-Dithiolane-2-thione c822388  
1175 C2H4O4 Formic acid dimer fadimer  
1176 C4H5NO 3-Methylisoxazole isox3m  
1177 C4H5NO Isoxazole, 5-methyl- c5765446  
1178 C4H5NS 4-Methylthiazole c693958  
1179 C2H5NO3 Nitric acid, ethyl ester c625581  
1180 C5H6O 2H-Pyran pyran2  
1181 C5H6O 2-methylfuran furan2m  
1182 C5H6O 3-Methylfuran furan3m  
1183 C5H6O Pentadienal pdal  
1184 C5H6S Thiophene, 2-methyl- c554143  
1185 C5H6S Thiophene, 3-methyl- c616444  
1186 C4H6O2 γ–Butyrolactone c96480  
1187 C4H6O2 2,3-Butanedione c431038  
1188 C4H6O2 2-Propenoic acid, methyl ester c96333  
1189 C4H6O2 Crotonic Acid crot  
1190 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1191 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1192 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1193 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1194 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1195 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1196 C4H6OS Vinyl sulfoxide c1115157  
1197 CH6N4S Carbonothioic dihydrazide thiacarb  
1198 C2H6N2O2 (E)-Azodioxymethane c37765154  
1199 C2H6N2O2 Dimethylnitroamine c4164287  
1200 C3H6O3 1,3,5-Trioxane trioxane  
1201 C3H6S3 1,3,5-Trithiane c3h6s3  
1202 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1203 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1204 C4H7NO 2-Pyrrolidinone c616455  
1205 C4H7NO Ethoxyacetonitrile etoaccn  
1206 C4H7NO Methacrylamide c79390  
1207 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1208 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1209 C3H7ONO Propyl nitrite prono  
1210 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1211 CH3CH(NH2)COOH Alanine alanine  
1212 CH3NHCH2COOH Sarcosine sarcosine  
1213 NH2CH2CH2COOH β–alanine betaalanine  
1214 NH2COOC2H5 Urethane urethane  
1215 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1216 C5H8O Cyclopentanone c120923  
1217 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1218 C5H8O Methyl cyclopropyl ketone c765435  
1219 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1220 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1221 NH2CONHC2H5 Urea, ethyl- c625525  
1222 C4H8O2 1,3-Dioxane dioxan13  
1223 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1224 C4H8O2 1,4-Dioxane dioxan14  
1225 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1226 C4H8O2 Ethyl acetate c141786  
1227 C4H8OS s-Ethyl thioacetate c625605  
1228 C3H8O3 1,2,3-Propanetriol glycerin  
1229 C3H8O2S (Methylsulfonyl)ethane c594434  
1230 C4H9NO Butanamide c541355  
1231 C4H9NO Propanamide, 2-methyl- c563837  
1232 C5H10O 2-Butanone, 3-methyl- c563804  
1233 C5H10O 2H-Pyran, tetrahydro- c142687  
1234 C5H10O 2-methylbutyraldehyde 2meba  
1235 C5H10O 2-Pentanone mpk  
1236 C5H10O 3-Pentanone dek  
1237 C5H10O Cyclopentanol c96413  
1238 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1239 C5H10O Pentanal pal  
1240 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1241 C5H10S 3-Ethylthio-1-propene c5296628  
1242 C5H10S Cyclopentanethiol c1679078  
1243 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1244 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1245 C4H10O2 1,1-Dimethoxyethane c534156  
1246 C4H10O2 1,3-Butanediol budiol13  
1247 C4H10O2 1,4-Butanediol budiol14  
1248 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1249 C4H10OS Diethyl sulfoxide c70291  
1250 C4H10S2 1,4-Butanedithiol budisl14  
1251 C4H11NO Diethylhydroxylamine c3710847  
1252 C5H12O 1-Butanol, 2-methyl- c137326  
1253 C5H12O 1-Butanol, 3-methyl- c123513  
1254 C5H12O 1-Pentanol pentanol1  
1255 C5H12O 2-Butanol, 3-methyl- c598754  
1256 C5H12O 2-Pentanol peol2  
1257 C5H12O 3-Pentanol pentan3ol  
1258 C5H12O Butane, 1-methoxy- meobu  
1259 C5H12O Propane, 1-ethoxy- proet  
1260 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1261 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1262 C5H12S 1-Butanethiol, 3-methyl- c541311  
1263 C5H12S 1-Pentanethiol c110667  
1264 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1265 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1266 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1267 C5H12S Butane, 1-(methylthio)- c628295  
1268 C5H12S Ethyl propyl sulfide c4110503  
1269 C5H12S Propane, 2-(ethylthio)- c5145993  
1270 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1271 C4F2 difluorobutadiyne c4f2  
1272 ClCOClCO Oxalyl chloride oxcl  
1273 CF3CN Acetonitrile, trifluoro- cf3cn  
1274 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1275 B2F4 Diboron tetrafluoride b2f4  
1276 B2Cl4 Diboron tetrachloride b2cl4  
1277 C2F4 Tetrafluoroethylene c2f4  
1278 C2F4+ Tetrafluoroethylene cation c2f4+  
1279 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1280 CF2CCl2 difluorodichloroethylene cf2ccl2  
1281 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1282 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1283 C2FCl3 fluorotrichloroethene c2fcl3  
1284 C2Cl4 Tetrachloroethylene c2cl4  
1285 C2Br4 tetrabromoethene c2br4  
1286 CF3OF Trifluoromethylhypofluorite cf3of  
1287 SiF5- silicon pentafluoride anion sif5-  
1288 SOF4 Sulfur tetrafluoride oxide sof4  
1289 PF5 Phosphorus pentafluoride pf5  
1290 AsF5 Arsenic pentafluoride asf5  
1291 PCl5 Phosphorus pentachloride pcl5  
1292 SF5 Sulfur pentafluoride sf5  
1293 SF5+ pentafluoro sulfur cation sf5+  
1294 SbCl5 Antimony pentachloride sbcl5  
1295 BrF5 bromine pentafluoride brf5  
1296 ClF5 chlorinepentafluoride clf5  
1297 IF5 pentafluoroiodine if5  
1298 CF3CHO trifluoroacetaldehyde cf3cho  
1299 CCl3CHO trichloroacetaldehyde ccl3cho  
1300 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1301 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1302 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1303 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1304 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1305 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1306 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1307 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1308 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1309 CF3COOH trifluoroacetic acid cf3cooh  
1310 C4H3ClO Furan, 2-chloro fur2cl  
1311 C4H3ClO Furan,3-chloro fur3cl  
1312 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1313 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1314 C4H8Cl2 1,4-Dichlorobutane c110565  
1315 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1316 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1317 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1318 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1319 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1320 C5H11Cl Pentane, 1-chloro- pencl1  
1321 C4H8O2 Butanoic acid bua  
1322 C6H5CH2 benzyl radical benzyl  
1323 C7H7 cycloheptatrienyl radical c7h7  
1324 C7H7+ cycloheptatrienyl cation c7h7+  
1325 C6H5CH3 toluene toluene  
1326 C7H8 cycloheptatriene cht  
1327 C7H8 Norbornadiene norbor  
1328 C7H8 Quadricyclane qucy  
1329 C7H12 Norbornane nor  
1330 C7H14 cycloheptane c7h14  
1331 C7H16 2-methylhexane 2mhex  
1332 C7H16 3-methylhexane hex3m  
1333 C7H16 heptane heptane  
1334 CH(CN)3 tricyanomethane mecn3  
1335 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1336 C6H7N 2-Methylpyridine mp  
1337 C6H5NH2 aniline aniline  
1338 C6H13N 2-Methylpiperidine pip2m  
1339 C6H13N cyclohexanamine cham  
1340 C6H15N triethylamine tea  
1341 N2O5 Dinitrogen pentoxide n2o5  
1342 C4H2O3 Maleic Anhydride malan  
1343 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1344 C5H4O2 furfural furfural  
1345 C6H5O phenoxy radical phenoxy  
1346 C5H5NO 2(1H)-Pyridinone c72762006  
1347 C5H5NO 2(3H)-Pyridinone c9000048  
1348 C5H5NO 2(5H)-Pyridinone c9000037  
1349 C5H5NO 2-Pyridinol c109104  
1350 C5H5NO 3(2H)-Pyridinone c9000004  
1351 C5H5NO 3(4H)-Pyridinone c9000026  
1352 C5H5NO 3(6H)-Pyridinone c9000015  
1353 C5H5NO 3-Pyridinol c109002  
1354 C5H5NO 4(1H)-Pryidinone c9000060  
1355 C5H5NO 4(3H)-Pryidinone c9000059  
1356 C5H5NO 4-Pyridinol c626642  
1357 C6H5OH phenol phenol  
1358 C6H6O 2,4-Cyclohexadienone c24599573  
1359 C6H6O 2,5-Cyclohexadienone c5664335  
1360 C6H5SH Benzenethiol phsh  
1361 HO2CCHNH2CH2OH Serine serine  
1362 C5H8O2 Acetylacetone acac  
1363 C4H8O2S Sulfolane sulfolane  
1364 C7H10 Norbornene norbornene  
1365 CH(C2H3)3 trivinyl methane tvm  
1366 C6H10O cyclohexanone chexo  
1367 C6H12O hexanal c6h12o  
1368 C6H12O Oxepane oxepane  
1369 C3H7OC3H7 di-n-propyl ether propr  
1370 F2CCCF2 tetrafluoroallene pfa  
1371 CF3COO- trifluoro acetate anion cf3coo-  
1372 CF3COF trifluoroacetyl fluoride cf3cof  
1373 CF3COCl trifluoroacetyl chloride cf3cocl  
1374 PF6 Hexafluorophosphate neutral pf6  
1375 PF6- Hexafluorophosphate ion pf6-  
1376 SF6 Sulfur Hexafluoride sf6  
1377 SeF6 Selenium hexafluoride sef6  
1378 SF5Cl sulfur chloropentafluoride sf5cl  
1379 CF3CHF2 pentafluoroethane cf3chf2  
1380 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1381 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1382 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1383 CCl3CHCl2 pentachloroethane ccl3chcl2  
1384 C6H5F Fluorobenzene bzf  
1385 C6H5Cl chlorobenzene bzcl  
1386 C6H5Br bromobenzene bzbr  
1387 C8H6 Calicene calicene  
1388 C6H5CCH phenylacetylene phac  
1389 C8H6 benzocyclobutadiene bcbd  
1390 C8H6 Pentalene pentalene  
1391 C6H5CHCH2 Styrene styrene  
1392 C8H8 cubane cubane  
1393 C8H8 cyclooctatetraene cot  
1394 C6H5CH2CH3 Ethylbenzene etbz  
1395 CH3C6H4CH3 meta-xylene mxylene  
1396 CH3C6H4CH3 paraxylene pxylene  
1397 C8H14 Bicyclo[2.2.2]octane bico222  
1398 C8H16 cyclooctane cyclooct  
1399 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1400 C8H18 Octane c8h18  
1401 C6H5CN phenyl cyanide phcn  
1402 C6H12N2 Triethylenediamine ted  
1403 C4O4-- squarate dianion c4o4--  
1404 S4N4 Tetrasulfur tetranitride s4n4  
1405 S8 Octasulfur s8  
1406 C6H4O2 parabenzoquinone pbq  
1407 C4H4N2O2 Uracil uracil  
1408 C6H5CHO benzaldehyde benzal  
1409 C6H5OCH3 Anisole anisole  
1410 C5H9NO2 Proline proline  
1411 C6H12O2 Methyl pivalate c598981  
1412 C6H12O2 Hexanoic acid hexa  
1413 C4F4 tetrafluorcyclobutadiene c4f4  
1414 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1415 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1416 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1417 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1418 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1419 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1420 C2Cl6 hexachloroethane c2cl6  
1421 IF7 Iodine heptafluoride if7  
1422 C6H4F2 metadifluorobenzene mdfb  
1423 C6H4F2 orthodifluorobenzene odfb  
1424 C6H4F2 1,4-difluorobenzene pdfb  
1425 C6H4Cl2 1,2-dichlorobenzene dcb12  
1426 C6H4Cl2 1,3-dichlorobenzene dcb13  
1427 C6H4Cl2 1,4-dichlorobenzene dcb14  
1428 C6H5NO nitrosobenzene bzno  
1429 C9H8 Indene indene  
1430 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1431 C9H12 n-propyl benzene prbz  
1432 C9H20 Nonane nonane  
1433 C(CN)4 tetracyanomethane c5n4  
1434 C5H4N4 purine purine  
1435 C8H7N Indole indole  
1436 C3H3N3O3 cyanuric acid cyanuric  
1437 C6H5NO2 Nitrobenzene c6h5no2  
1438 C6H5COOH benzoic acid benzo  
1439 CH3COC6H5 acetophenone acph  
1440 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1441 C3F6 hexafluoropropene c3f6  
1442 C6H3F3 Benzene trifluoride 123 bzf3a  
1443 C8H18O 1-Octanol octanol  
1444 C10H8 Azulene azu  
1445 C10H8 naphthalene naph  
1446 C10H10 bullvalene bullv  
1447 C10H16 adamantane adamantane  
1448 C6N4 Tetracyanoethylene tcne  
1449 C6N4- tetracyanoethylene anion tcne-  
1450 C10H22 Decane decane  
1451 C4F6 perfluorobutadiene c4f6  
1452 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1453 C3F8 perfluoropropane c3f8  
1454 Fe(CO)5 Iron pentacarbonyl ipc  
1455 Fe(C5H5)2 ferrocene fecp2  
1456 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1457 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1458 C12H8 Acenaphthylene acenaph  
1459 C12H8 biphenylene biph  
1460 C12H10 biphenyl biphenyl  
1461 C12H10 Heptalene heptalene  
1462 C6H12O6 Inositol inositol  
1463 C6F6 hexafluorobenzene c6f6  
1464 S2F10 disulphur decafluoride s2f10  
1465 C13H10 Fluorene fluorene  
1466 C14H10 Anthracene anth  
1467 C14H10 Phenanthrene phenanthrene  
1468 C14H14 Bibenzyl bibenzyl  
1469 C12H10N2 azobenzene azobenzene  
1470 C6H5COC6H5 benzophenone benzophenone  
1471 C16H10 Pyrene pyrene  
1472 C18H12 Tetracene tetracene  
1473 C19H16 Triphenylmethane tpm  
1474 C24H12 Coronene coronene  
1475 C60 Buckminsterfullerene c60