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 B3LYP /cc-pCVDZ

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 Li Lithium atom 2SKh
4 LiH Lithium Hydride 1ΣC∞v
5 LiH- lithium hydride anion 2ΣC∞v
6 LiH+ lithium hydride cation 2ΣC∞v
7 Be Beryllium atom 1SKh
8 Mg Magnesium atom 1SKh
9 BeH beryllium monohydride 2ΣC∞v
10 BeH2 beryllium dihydride 1ΣgD∞h
11 MgH2 magnesium dihydride 1ΣgD∞h
12 B Boron atom 2PKh
13 Al Aluminum atom 2PKh
14 BH3 boron trihydride 1A1'D3h
15 C Carbon atom 3P0Kh
16 Si Silicon atom 3PKh
17 SiH Silylidyne 2ΠC∞v
18 CH2 Methylene 3B1C2v
19 CH2 Methylene 1A1C2v
20 SiH4 Silane 1A1Td
21 P Phosphorus atom 4SKh
22 PH3 Phosphine 1A1C3v
23 O Oxygen atom 3SKh
24 S Sulfur atom 3PKh
25 HS Mercapto radical 2ΠC∞v
26 H2O Water 1A1C2v
27 H2S Hydrogen sulfide 1A1C2v
28 H2S+ Hydrogen sulfide cation 2B1C2v
29 H3S+ Sulfonium cation 1A1C3v
30 F Fluorine atom 2PKh
31 Cl Chlorine atom 2PKh
32 HF Hydrogen fluoride 1ΣC∞v
33 HCl Hydrogen chloride 1ΣC∞v
34 HCl+ hydrogen chloride cation 2ΠC∞v
35 H2Cl+ dihydrogen monochloride cation 1A1C2v
36 Li2 Lithium diatomic 1ΣgD∞v
37 Na2 Sodium diatomic 1ΣgD∞h
38 LiB Lithium boride 3ΠC∞v
39 B2 Boron diatomic 3ΣgD∞h
40 Al2 Aluminum diatomic 3ΣgD∞h
41 C2 Carbon diatomic 1Σg+D∞h
42 C2 Carbon diatomic 3ΠuD∞h
43 C2H4 Ethylene 1AgD2h
44 C2H6 Ethane 1A1gD3d
45 Si2H6 disilane 1EuD3d
46 AlN Aluminum nitride 3ΠiC∞v
47 CN Cyano radical 2ΣC∞v
48 N2 Nitrogen diatomic 1ΣgD∞h
49 HCN Hydrogen cyanide 1ΣC∞v
50 NNH+ Dinitrogen monohydride cation 1ΣC∞v
51 N2H2 (E)-diazene 1AgC2h
52 MgO magnesium oxide 1Σ+C∞v
53 CaS Calcium sulfide 1ΣC∞v
54 BO boron monoxide 2ΣC∞v
55 CO Carbon monoxide 1ΣC∞v
56 CO- carbon monoxide anion 2ΠC∞v
57 CO+ carbon monoxide cation 2ΣC∞v
58 SiO Silicon monoxide 1ΣC∞v
59 NO Nitric oxide 2ΠC∞v
60 NS Mononitrogen monosulfide 2ΠC∞v
61 PO Phosphorus monoxide 2ΠC∞v
62 O2 Oxygen diatomic 3ΣgD∞h
63 SO Sulfur monoxide 3ΣC∞v
64 S2 Sulfur diatomic 3ΣgD∞h
65 HNO Nitrosyl hydride 1A'Cs
66 H2CS Thioformaldehyde 1A1C2v
67 H2S2 Disulfane 1AC2
68 CH3SH Methanethiol 1A'Cs
69 CH3SH2+ protonated methylsulfide 1A'Cs
70 LiF lithium fluoride 1ΣC∞v
71 LiCl lithium chloride 1ΣC∞v
72 NaF sodium fluoride 1ΣC∞v
73 NaCl Sodium Chloride 1ΣC∞v
74 BF Boron monofluoride 1ΣC∞v
75 AlF Aluminum monofluoride 1Σ+C∞v
76 CF Fluoromethylidyne 2ΠC∞v
77 NF nitrogen fluoride 3ΣC∞v
78 NCl nitrogen monochloride 3ΣC∞v
79 ClO Monochlorine monoxide 2ΠC∞v
80 SCl sulfur monochloride 2ΠC∞v
81 F2 Fluorine diatomic 1ΣgD∞h
82 ClF Chlorine monofluoride 1Σ+C∞v
83 Cl2 Chlorine diatomic 1ΣgD∞h
84 Cl2+ chlorine diatomic cation 2ΠgD∞h
85 HOCl hypochlorous acid 1A'Cs
86 CH3Cl Methyl chloride 1A1C3v
87 CH2CCH2 allene 1A1D2d
88 Si3H8 trisilane   
89 HN3 hydrogen azide 1A'Cs
90 N2O Nitrous oxide 1ΣC∞v
91 CO2 Carbon dioxide 1ΣgD∞h
92 CS2 Carbon disulfide 1ΣgD∞h
93 NSO sulfinyl amidogen   
94 SNO Nitrogen oxide sulfide   
95 S3 Sulfur trimer 1A1C2v
96 BH3CO Borane carbonyl 1A1C3v
97 C2H4O Ethylene oxide 1A1C2v
98 FNO Nitrosyl fluoride 1A'Cs
99 FNS Thionitrosyl fluoride 1A'Cs
100 FSN Thiazyl fluoride 1A'Cs
101 CF2 Difluoromethylene 1A1D∞h
102 CF2 Difluoromethylene 3B1C2v
103 OClO Chlorine dioxide 2B1D∞h
104 ClSO Sulfur chloride oxide 2A"Cs
105 FClO chlorosyl fluoride 1A'Cs
106 ClOF Chlorine hypofluorite 1A'Cs
107 S2N2 Disulfur dinitride 1AGD2h
108 BF3 Borane, trifluoro- 1A'D3h
109 AlF3 Aluminum trifluoride 1A1'D3h
110 ClO2F Chloryl fluoride 1A'Cs
111 HClO4 perchloric acid 1ACs
112 SiF5- silicon pentafluoride anion   

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 anion h-  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 HD Deuterium hydride hd  
10 H3+ hydrogen trimer cation h3+  
11 He Helium atom he  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na Sodium atom na  
20 Na- Sodium atom anion na-  
21 Na+ Sodium atom cation na+  
22 K Potassium atom k  
23 K- Potassium atom anion k-  
24 K+ Potassium atom cation k+  
25 Cu Copper atom cu  
26 Cu- Copper atom anion cu-  
27 Cu+ Copper atom cation cu+  
28 NaH sodium hydride nah  
29 NaH- sodium hydride anion nah-  
30 NaH+ sodium hydride cation nah+  
31 KH Potassium hydride kh  
32 KH+ Potassium hydrogen cation kh+  
33 CuH Copper monohydride cuh  
34 Be- Beryllium atom anion be-  
35 Be+ Beryllium atom cation be+  
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- berylium monohydride anion beh-  
45 BeH+ beryllium monohydride cation beh+  
46 MgH magnesium monohydride mgh  
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 ZnH+ Zinc, protonated znh+  
54 BeH2+ Beryllium dihydride cation beh2+  
55 CaH2 Calcium Hydride cah2  
56 ZnH2 Zinc hydride znh2  
57 B- Boron atom anion b-  
58 B+ Boron atom cation b+  
59 Al- Aluminum atom anion al-  
60 Al+ Aluminum atom cation al+  
61 Sc Scandium atom sc  
62 Sc+ Scandium cation sc+  
63 Ga Gallium atom ga  
64 Ga- Gallium atom anion ga-  
65 Ga+ Gallium atom cation ga+  
66 BH Boron monohydride bh  
67 BH- boron monohydride anion bh-  
68 BH+ boron monohydride cation bh+  
69 AlH aluminum monohydride alh  
70 AlH- aluminum monohydride anion alh-  
71 AlH+ aluminum monohydride cation alh+  
72 ScH Scandium monohydride sch  
73 ScH+ Scandium monohydride cation sch+  
74 GaH Gallium monohydride gah  
75 GaH+ Gallium monohydride cation gah+  
76 BH2 boron dihydride bh2  
77 BH2- boron dihydride anion bh2-  
78 BH2+ Boron dihydride cation bh2+  
79 AlH2 aluminum dihydride alh2  
80 AlH2- aluminum dihydride anion alh2-  
81 AlH2+ aluminum dihydride cation alh2+  
82 BH3- boron trihydride anion bh3-  
83 BH3+ boron trihydride cation bh3+  
84 AlH3 aluminum trihydride alh3  
85 AlH3- aluminum trihydride anion alh3-  
86 AlH3+ aluminum trihydride cation alh3+  
87 ScH3 Scandium trihydride sch3  
88 GaH3 Gallium trihydride gah3  
89 BH4 borohydride bh4  
90 BH4- borohydride anion bh4-  
91 AlH4- Aluminum tetrahydride anion alh4-  
92 C- Carbon atom anion c-  
93 C+ Carbon atom cation c+  
94 Si- Silicon atom anion si-  
95 Si+ Silicon atom cation si+  
96 Ti Titanium atom ti  
97 Ti- Titanium atom anion ti-  
98 Ti+ Titanium atom cation ti+  
99 Ge Germanium atom ge  
100 Ge- Germanium anion ge-  
101 Ge+ Germanium cation ge+  
102 Sn Tin atom sn  
103 Sn+ Tin cation sn+  
104 CH Methylidyne ch  
105 CH- methylidyne anion ch-  
106 CH+ Methylidyne cation ch+  
107 SiH- silicon monohydride anion sih-  
108 SiH+ silicon monohydride cation sih+  
109 GeH germylidene geh  
110 GeH+ Germaniun monohyrdide cation geh+  
111 CH2- methylene anion ch2-  
112 CH2+ methylene cation ch2+  
113 SiH2 silicon dihydride sih2  
114 SiH2- silicon dihydride anion sih2-  
115 SiH2+ silicon dihydride cation sih2+  
116 GeH2 germylene geh2  
117 GeH2- germylene anion geh2-  
118 CH3 Methyl radical ch3  
119 CH3- methyl anion ch3-  
120 CH3+ methyl cation ch3+  
121 SiH3 Silyl radical sih3  
122 SiH3- Silyl anion sih3-  
123 SiH3+ Silyl cation sih3+  
124 GeH3 Germyl radical geh3  
125 GeH3+ germyl cation geh3+  
126 CD4 methane-d4 cd4  
127 CH2D2 methane-d2 ch2d2  
128 CH3D methane-d ch3d  
129 CH4 Methane ch4  
130 CH4- Methane anion ch4-  
131 CH4+ Methane cation ch4+  
132 CHD3 methane-d3 chd3  
133 SiH2D2 silane-d2 sih2d2  
134 SiH4+ Silane cation sih4+  
135 GeH4 Germane geh4  
136 SnH4 Stannane snh4  
137 SiH5+ Silane, protonated sih5+  
138 N Nitrogen atom n  
139 N- Nitrogen atom anion n-  
140 N+ Nitrogen atom cation n+  
141 P- Phosphorus atom anion p-  
142 P+ Phosphorus atom cation p+  
143 V Vanadium atom v  
144 V+ Vanadium atom cation v+  
145 As Arsenic atomic as  
146 As- Arsenic anion as-  
147 As+ Arsenic cation as+  
148 Sb Antimony atom sb  
149 NH Imidogen nh  
150 NH- Imidogen anion nh-  
151 NH+ imidogen cation nh+  
152 PH phosphorus monohydride ph  
153 PH- phosphorus monohydride anion ph-  
154 PH+ phosphorus monohydride cation ph+  
155 AsH Arsenic monohydride ash  
156 AsH+ Arsenic monohydride cation ash+  
157 SbH Antimony monohydride sbh  
158 ND2 Amidogen-d2 nd2  
159 NH2 Amino radical nh2  
160 NH2- amino anion nh2-  
161 NH2+ Amino cation nh2+  
162 PH2 Phosphino radical ph2  
163 PH2- Phosphino anion ph2-  
164 PH2+ Phosphino cation ph2+  
165 AsH2 Arsenic dihydride ash2  
166 AsH2+ Arsenic dihydride cation ash2+  
167 ND3 Ammonia-d3 nd3  
168 NH3 Ammonia nh3  
169 NH3- Ammonia anion nh3-  
170 NH3+ ammonia cation nh3+  
171 PH3+ Phosphine cation ph3+  
172 AsH3 Arsine ash3  
173 AsH3+ Arsine cation ash3+  
174 SbH3 Stibine sbh3  
175 AsH4+ Arsonium ash4+  
176 NH4 Ammonium radical nh4  
177 NH4+ ammonium cation nh4+  
178 PH4 Phosphoranyl radical ph4  
179 PH4+ phosphonium cation ph4+  
180 O- Oxygen atom anion o-  
181 O+ Oxygen atom cation o+  
182 S- Sulfur atom anion s-  
183 S+ Sulfur atom cation s+  
184 Cr Chromium atom cr  
185 Se Selenium atom se  
186 Se- Selenium atom anion se-  
187 Se+ Selenium atom cation se+  
188 Te Tellurium atom te  
189 Te+ Tellurium atom cation te+  
190 DO Hydroxyl-d od  
191 OH Hydroxyl radical oh  
192 OH- hydroxide anion oh-  
193 OH+ hydoxyl cation oh+  
194 DS Mercapto-d ds  
195 HS- mercapto anion sh-  
196 HS+ sulfur monohydride cation sh+  
197 CrH Chromium hydride crh  
198 CrH+ Chromium hydride cation crh+  
199 HSe Selenium monohydride hse  
200 HSe- selenium monohydride anion hse-  
201 HSe+ selenium monohydride cation hse+  
202 TeH Telluryl radical teh  
203 D2O Deuterium oxide d2o  
204 H2O- water anion h2o-  
205 H2O+ water cation h2o+  
206 HDO Water-d1 hdo  
207 D2S Hydrogen sulfide-d2 d2s  
208 H2S- Hydrogen sulfide anion h2s-  
209 H2Se Hydrogen selenide h2se  
210 H2Se+ Hydrogen selenide cation h2se+  
211 H2Te Hydrogen Telluride h2te  
212 H3O+ hydronium cation h3o+  
213 H3Se+ Hydrogen Selenide, protonated h3se+  
214 F- Fluorine atom anion f-  
215 F+ Fluorine atom cation f+  
216 Cl- Chlorine atom anion cl-  
217 Cl+ Chlorine atom cation cl+  
218 Mn Manganese atom mn  
219 Br Bromine atom br  
220 Br- Bromine atom anion br-  
221 Br+ Bromine atom cation br+  
222 I Iodine atom iodine  
223 I- Iodine atom anion iodine-  
224 I+ Iodine atom cation iodine+  
225 DF Hydrofluoric acid-d df  
226 HF- hydrogen fluoride anion hf-  
227 HF+ hydrogen fluoride cation hf+  
228 DCl Hydrochloric acid-d dcl  
229 HCl- hydrogen chloride anion hcl-  
230 HBr hydrogen bromide hbr  
231 HBr- hydrogen bromide anion hbr-  
232 HBr+ hydrogen bromide cation hbr+  
233 HI Hydrogen iodide hi  
234 HI+ Hydrogen iodide cation hi+  
235 H2F+ dihydrogen fluoride cation h2f+  
236 H2Br+ protonated hydrogen bromide h2br+  
237 H2I+ Iodonium h2i+  
238 Ne Neon atom ne  
239 Ne- Neon atom anion ne-  
240 Ne+ Neon atom cation ne+  
241 Ar Argon atom ar  
242 Ar- Argon atom anion ar-  
243 Ar+ Argon atom cation ar+  
244 Fe Iron atom fe  
245 Kr Krypton atom kr  
246 Kr+ Krypton cation kr+  
247 Xe Xenon atom xe  
248 HeLi+ Helium Lithium cation heli+  
249 NeH neon hydrogen neh  
250 NeH+ neon hydrogen cation neh+  
251 ArH+ Argon hydride cation arh+  
252 KrH+ Protonated Krypton krh+  
253 XeH+ Xenon, protonated xeh+  
254 H2Ar H2 Ar dimer h2ar  
255 Co Cobalt atom cobalt  
256 Ni Nickel atom ni  
257 Li2- lithium diatomic anion li2-  
258 Li2+ lithium diatomic cation li2+  
259 NaLi lithium sodium lina  
260 NaLi- lithium sodium anion lina-  
261 NaLi+ lithium sodium cation lina+  
262 LiK Lithium Potassium lik  
263 Na2- sodium diatomic anion na2-  
264 Na2+ sodium diatomic cation na2+  
265 NaK Sodium Potassium nak  
266 NaK+ Sodium Potassium diatomic cation nak+  
267 K2 Potassium diatomic k2  
268 Cu2 Copper diatomic cu2  
269 LiBe Lithium Beryllium libe  
270 LiMg Lithium magnesium limg  
271 NaBe Sodium Beryllium nabe  
272 NaMg Sodium Magnesium namg  
273 Be2 Beryllium diatomic be2  
274 Be2- Beryllium diatomic anion be2-  
275 Be2+ Beryllium diatomic cation be2+  
276 BeMg Beryllium Magnesium bemg  
277 Mg2 Magnesium diatomic mg2  
278 Mg2- magnesium diatomic anion mg2-  
279 Mg2+ magnesium diatomic cation mg2+  
280 Ca2 Calcium diatomic ca2  
281 LiAl Lithium Aluminum lial  
282 NaAl Sodium aluminum naal  
283 BeB Beryllium monoboride beb  
284 B2- Boron diatomic anion b2-  
285 B2+ Boron diatomic cation b2+  
286 BAl Boron Aluminum bal  
287 Al2- aluminum diatomic anion al2-  
288 Al2+ aluminum diatomic cation al2+  
289 BGa Boron Gallium bga  
290 AlGa Aluminum Gallium alga  
291 Ga2 Gallium diatomic ga2  
292 HBBH Diborane(2) hbbh  
293 LiBH4 Lithium borohydride libh4  
294 B2H4 Diborane(4) D2d b2h4  
295 HBHHBH Diborane(4) C2V hbhhbh  
296 B2H6 Diborane b2h6  
297 B2H6+ Diborane cation b2h6  
298 Al2H6 dialane al2h6  
299 Ga2H6 digallane ga2h6  
300 LiC Lithium Carbide lic  
301 BeC Beryllium Carbide bec  
302 CaC Calcium monocarbide cac  
303 BC boron monocarbide bc  
304 BC- boron monocarbide anion bc-  
305 BC+ boron monocarbide cation bc+  
306 AlC Aluminum carbide alc  
307 BSi Boron silicide bsi  
308 C2- carbon diatomic anion c2-  
309 C2+ carbon diatomic cation c2+  
310 SiC silicon monocarbide sic  
311 SiC- silicon monocarbide anion sic-  
312 SiC+ silicon monocarbide cation sic+  
313 Si2 Silicon diatomic si2  
314 Si2- silcon diatomic anion si2-  
315 Si2+ silcon diatomic cation si2+  
316 GeC Germanium monocarbide gec  
317 SiGe Silicon Germanium sige  
318 Ge2 Germanium diatomic ge2  
319 C2H Ethynyl radical c2h  
320 C2H- Ethynyl anion c2h-  
321 C2H+ Ethynyl cation c2h+  
322 ZnCH2 Zinc methylene znch2  
323 C2H2 Acetylene c2h2  
324 C2H2+ acetylene cation c2h2+  
325 CCH2 vinylidene vinylidene  
326 H2CC- vinylidene anion h2cc-  
327 HCCH- acetylene anion c2h2-  
328 Si2H2 disilyne si2h2  
329 CH3Li methyl lithium ch3li  
330 CuCH3 monomethyl copper cuch3  
331 ZnCH3 Zinc monomethyl znch3  
332 CH2BH methyleneborane ch2bh  
333 C2H3 vinyl c2h3  
334 C2H3- vinyl anion c2h3-  
335 C2H3+ vinyl cation c2h3+  
336 C2H4- Ethylene anion c2h4-  
337 C2H4+ Ethylene cation c2h4+  
338 CH3CH methylmethylene ch3ch  
339 CH2SiH2 silaethylene ch2sih2  
340 Si2H4 Disilene si2h4  
341 CH3BH2 methylborane ch3bh2  
342 C2H5 Ethyl radical c2h5  
343 C2H5- Ethyl anion c2h5-  
344 C2H5+ Ethyl cation c2h5+  
345 C2H6+ ethane cation c2h6+  
346 CH3SiH3 methyl silane ch3sih3  
347 GeH3CH3 methyl germane geh3ch3  
348 C2H7+ Ethane, protonated c2h7+  
349 LiN Lithium Nitride lin  
350 LiN+ Lithium Nitride cation lin+  
351 LiP Lithium monophosphide lip  
352 BeN Beryllium mononitride ben  
353 BeN- Beryllium mononitride anion ben-  
354 BeN+ Beryllium mononitride cation ben+  
355 MgN Magnesium Nitride mgn  
356 BN- boron nitride anion bn-  
357 AlN- aluminum mononitride anion aln-  
358 AlN+ aluminum mononitride cation aln+  
359 BP Boron monophosphide bp  
360 AlP Aluminum monophosphide alp  
361 GaN Gallium mononitride gan  
362 GaP Gallium monophosphide gap  
363 GaAs Gallium arsenide gaas  
364 BN boron nitride bn  
365 BN+ boron nitride cation bn+  
366 CN- cyanide anion cn-  
367 CN+ Cyano cation cn+  
368 CP Carbon monophosphide cp  
369 CP- carbon monophosphide anion cp-  
370 CP+ carbon monophosphide cation cp+  
371 SiN Silicon nitride sin  
372 SiN- silicon mononitride anion sin-  
373 SiN+ silicon mononitride cation sin+  
374 SiP Silicon monophosphide sip  
375 SiP- Silicon monophosphide anion sip-  
376 SiP+ Silicon monophosphide cation sip+  
377 TiN Titanium mononitride tin  
378 N2- nitrogen diatomic anion n2-  
379 N2+ diatomic nitrogen cation n2+  
380 PN Phosphorus mononitride pn  
381 PN- phosphorus nitride anion pn-  
382 PN+ phosphorus nitride cation pn+  
383 P2 Phosphorus diatomic p2  
384 P2- phosphorus diatomic anion p2-  
385 P2+ phosphorus diatomic cation p2+  
386 AsN Arsenic mononitride asn  
387 AsP Arsenic monophosphide asp  
388 SbN Antimony nitride sbn  
389 As2 Arsenic diatomic as2  
390 HNB hydrogen nitrogen boron hnb  
391 HNC hydrogen isocyanide hnc  
392 HCN- Hydrogen cyanide anion hcn-  
393 HCN+ hydrogen cyanide cation hcn+  
394 HNC+ hydrogen isocyanide cation hnc+  
395 HCP Phosphaethyne hcp  
396 HCP+ Phosphaethyne cation hcp+  
397 NNH Dinitrogen monohydride nnh  
398 HPO Hydrogen phosphorus oxide hpo  
399 HPO+ Hydrogen phosphorus oxide cation hpo+  
400 LiNH2 lithium amide linh2  
401 HBNH Boranimine hbnh  
402 CNH2 Aminomethylidyne radical cnh2  
403 CNH2+ N-protonated hydrogen isocyanide cnh2+  
404 H2CN Dihydrogen cyanide radical h2cn  
405 H2CN+ hydrocyanonium cation h2cn+  
406 HCNH methyleneazane hcnh  
407 HCNH+ N-protonated HCN hcnh+  
408 H2NN Isodiazene h2nn  
409 N2H2 (Z)-Diazene n2h2z  
410 N2H2+ trans-diazene cation n2h2+  
411 CH2NH Methanimine ch3n  
412 CH2NH+ Methanimine cation ch2nh+  
413 CHNH2 aminomethylene chnh2  
414 CHNH2+ Aminocarbene cation chnh2+  
415 CH2PH Phosphaethene ch3p  
416 BH2NH2 Boranamine bh2nh2  
417 CH2NH2+ methyleneamine cation ch2nh2+  
418 N2H4 Hydrazine n2h4  
419 N2H4+ hydrazine cation n2h4+  
420 P2H4 Diphosphine p2h4  
421 CH3NH2 methyl amine ch3nh2  
422 CH3NH2+ methyl amine cation ch3nh2+  
423 CH3PH2 Methyl phosphine ch3ph2  
424 SiH3NH2 Silane, amino sih3nh2  
425 N2H5+ protonated hydrazine n2h5+  
426 BH3PH3 borane phosphine bh3ph3  
427 BH3NH3 borane ammonia bh3nh3  
428 CH3NH3 methyl ammonium radical ch3nh3  
429 CH3NH3+ protonated methylamine ch3nh3+  
430 CH3PH3+ methyl phosphine, protonated ch3ph3+  
431 NH3NH3 Ammonia Dimer nh3nh3  
432 N2H7+ ammonia ammonium dimer n2h7+  
433 LiO lithium oxide lio  
434 LiO- lithium oxide anion lio-  
435 LiO+ lithium oxide cation lio+  
436 LiS Lithium monosulfide lis  
437 LiS+ Lithium sulfide cation lis+  
438 NaO sodium monoxide nao  
439 NaO- sodium oxide anion nao-  
440 NaO+ sodium oxide cation nao+  
441 KO Potassium monoxide ko  
442 KO+ Potassium monoxide cation ko+  
443 NaS Sodium sulfide nas  
444 CuO Copper Monoxide cuo  
445 LiSe Lithium monoselenide lise  
446 BeO beryllium oxide beo  
447 BeO- Beryllium monoxide anion beo-  
448 BeO+ Beryllium monoxide cation beo+  
449 BeS beryllium sulfide bes  
450 MgO- magnesium oxide anion mgo-  
451 MgO+ magnesium oxide cation mgo+  
452 CaO Calcium monoxide cao  
453 MgS magnesium sulfide mgs  
454 MgS- magnesium sulfide anion mgs-  
455 MgS+ magnesium sulfide cation mgs+  
456 ZnO zinc monoxide zno  
457 ZnS Zinc sulfide zns  
458 BeS- Beryllium monosulfide anion bes-  
459 BeS+ Beryllium monosulfide cation bes+  
460 BO- boron monoxide anion bo-  
461 AlO Aluminum monoxide alo  
462 AlO- Aluminum monoxide anion alo-  
463 AlO+ aluminum monoxide cation alo+  
464 BS boron sulfide bs  
465 BS- boron monosulfide anion bs-  
466 BS+ boron monosulfide cation bs+  
467 AlS Aluminum sulfide als  
468 AlS- aluminum monosulfide anion als-  
469 AlS+ aluminum monosulfide cation als+  
470 ScO Scandium monoxide sco  
471 GaO Gallium monoxide gao  
472 GaS Gallium monosulfide gas  
473 BO+ boron monoxide cation bo+  
474 CS carbon monosulfide cs  
475 CS- carbon monosulfide anion cs-  
476 CS+ carbon monosulfide cation cs+  
477 SiO- silicon monoxide anion sio-  
478 SiO+ silicon monoxide cation sio+  
479 SiS silicon monosulfide sis  
480 SiS- silicon monosulfide anion sis-  
481 SiS+ silicon monosulfide cation sis+  
482 TiO Titanium monoxide tio  
483 CSe Carbon monoselenide cse  
484 CSe- Carbon monoselenide anion cse-  
485 CSe+ Carbon monoselenide cation cse+  
486 GeO Germanium monoxide geo  
487 GeO+ Germanium monoxide cation geo+  
488 GeS Germanium monosulfide ges  
489 SiSe Silicon Monoselenide sise  
490 SiSe+ Silicon Monoselenide cation sise+  
491 GeSe Germanium monoselenide gese  
492 NO- nitric oxide anion no-  
493 NO+ nitric oxide cation no+  
494 NS- nitrogen sulfide anion ns-  
495 NS+ nitrogen sulfide cation ns+  
496 PO- phosphorus monoxide anion po-  
497 PO+ phosphorus monoxide cation po+  
498 PS phosphorus sulfide ps  
499 PS- phosphorus monosulfide anion ps-  
500 PS+ phosphorus monosulfide cation ps+  
501 VO Vanadium monoxide vo  
502 AsO Arsenic monoxide aso  
503 NSe Nitrogen monoselenide nse  
504 AsS Arsenic monosulfide ass  
505 PSe Phosphorus monoselenide pse  
506 AsSe Arsenic monoselenide asse  
507 O2- oxygen diatomic anion o2-  
508 O2-- dioxygen dianion o2--  
509 O2+ diatomic oxygen cation o2+  
510 SO- sulfur monoxide anion so-  
511 SO+ sulfur monoxide cation so+  
512 S2- sulfur diatomic anion s2-  
513 S2+ sulfur diatomic cation s2+  
514 SeO Selenium monoxide seo  
515 SeO- selenium monoxide anion seo-  
516 SeO+ selenium monoxide cation seo+  
517 SeS Selenium monosulfide ses  
518 SeS- selenium monosulfide anion ses-  
519 SeS+ selenium monosulfide cation ses+  
520 TeO Tellurium monoxide teo  
521 Se2 Selenium diatomic se2  
522 Se2- selenium diatomic anion se2-  
523 Se2+ selenium diatomic cation se2+  
524 Te2 Tellurium diatomic te2  
525 LiOH lithium hydroxide lioh  
526 NaOH sodium hydroxide naoh  
527 KOH Potassium hydroxide koh  
528 BeOH beryllium monohydroxide beoh  
529 MgOH magnesium hydroxide mgoh  
530 CaOH Calcium monohydroxide caoh  
531 HBO Boron hydride oxide hbo  
532 HBS hydrogen boron sulfide hbs  
533 COH Hydroxymethylidyne coh  
534 COH+ Carbon Monoxide, protonated coh+  
535 HCO Formyl radical hco  
536 HCO- formyl anion hco-  
537 HCO+ Formyl cation hco+  
538 HCS Thioformyl radical hcs  
539 HCS- Thioformyl anion hcs-  
540 HCS+ Thioformyl cation hcs+  
541 HNO- Nitrosyl hydride anion hno-  
542 HNO+ Nitrosyl hydride cation hno+  
543 NOH Hydroxyimidogen noh  
544 NOH+ O-protonated nitric oxide noh+  
545 HNS Sulfur imide hns  
546 HNS- Sulfur imide anion hns-  
547 HO2 Hydroperoxy radical ho2  
548 HO2- Hydroperoxy anion ho2-  
549 HO2+ Hydroperoxy cation ho2+  
550 HSO+ Sulfur Monoxide, S-protonated HSO+  
551 SOH Sulfur Hydroxide soh  
552 SOH+ Sulfur Monoxide, protonated soh+  
553 HS2 Thiosulfeno radical hs2  
554 H2CO Formaldehyde h2co  
555 H2CO- formaldehyde anion h2co-  
556 H2CO+ formaldehyde cation h2co+  
557 HOCH hydroxycarbene hoch  
558 H2CS- thioformaldehyde anion h2cs-  
559 H2CS+ thioformaldehyde cation h2cs+  
560 H2CSe Selenoformaldehyde h2cse  
561 H2NO nitroxide h2no  
562 H2O2 Hydrogen peroxide h2o2  
563 H2O2+ Hydrogen peroxide cation h2o2+  
564 H2OO water oxide h2oo  
565 HOSH hydrogen thioperoxide hosh  
566 H2S2+ hydrogen disulfide cation h2s2+  
567 H2Se2 hydrogen diselenide h2se2  
568 CH2OH Hydroxymethyl radical ch2oh  
569 CH2OH+ hydroxymethyl cation ch2oh+  
570 CH3O Methoxy radical ch3o  
571 CH3O- methoxy anion ch3o-  
572 CH3O+ Methoxy cation ch3o+  
573 CH3S thiomethoxy ch3s  
574 H2CSH+ Thioformaldehyde, protonated h2csh+  
575 NH2OH hydroxylamine nh2oh  
576 NH2OH+ Hydroxylamine cation nh2oh+  
577 NH3O Ammonia Oxide nh3o  
578 H2POH Phosphinous acid h2poh  
579 H3PO Phosphine oxide h3po  
580 NH2SH Thiohydroxylamine nh2sh  
581 NH3S sulfidoazane nh3s  
582 H3O2+ hydrogen peroxide, protonated h3o2+  
583 CH3OH Methyl alcohol ch3oh  
584 CH3OH- Methyl alcohol anion ch3oh-  
585 CH3OH+ Methyl alcohol cation ch3oh+  
586 CH3SH+ Methanethiol cation ch3sh+  
587 SiH3OH silanol sih3oh  
588 CH3SeH Methane selenol ch3seh  
589 NH2OH2+ protonated hydroxylamine nh2oh2+  
590 NH3OH+ N-protonated hydroxylamine nh3oh+  
591 H2OH2O water dimer h2oh2o  
592 CH3OH2+ Methanol, protonated ch3oh2+  
593 H2ONH3 Water Ammonia Dimer h2onh3  
594 H5O2+ Dihydroxonium ion h5o2+  
595 LiCl- lithium chloride anion licl-  
596 LiCl+ lithium chloride cation licl+  
597 NaF- sodium fluoride anion naf-  
598 NaF+ sodium fluoride cation naf+  
599 KF Potassium Fluoride kf  
600 NaCl- sodium chloride anion nacl-  
601 NaCl+ sodium chloride cation nacl+  
602 KCl Potassium Chloride kcl  
603 CuF Copper monofluoride cuf  
604 LiBr Lithium Bromide libr  
605 LiBr- lithium bromide anion libr-  
606 LiBr+ lithium bromide cation libr+  
607 CuCl Copper monochloride cucl  
608 NaBr Sodium Bromide nabr  
609 NaBr- sodium bromide anion nabr-  
610 NaBr+ sodium bromide cation nabr+  
611 KBr Potassium Bromide kbr  
612 LiI Lithium Iodide lii  
613 NaI Sodium Iodide nai  
614 KI Potassium Iodide ki  
615 LiF- lithium fluoride anion lif-  
616 LiF+ lithium fluoride cation lif+  
617 BeF Beryllium monofluoride bef  
618 BeF- Beryllium monofluoride anion bef-  
619 BeF+ Beryllium monofluoride cation bef+  
620 BeCl beryllium monochloride becl  
621 MgF Magnesium monofluoride mgf  
622 MgF- magnesium fluoride anion mgf-  
623 MgF+ magnesium fluoride cation mgf+  
624 CaF Calcium monofluoride caf  
625 MgCl magnesium monochloride mgcl  
626 MgCl- magnesium monochloride anion mgcl-  
627 MgCl+ magnesium monochloride cation mgcl+  
628 CaCl calcium monochloride cacl  
629 TiCl Titanium Monochloride ticl  
630 ZnF Zinc monofluoride znf  
631 ZnF- Zinc monofluoride anion znf-  
632 ZnF+ Zinc monofluoride cation znf+  
633 ZnCl Zinc monochloride zncl  
634 CaBr Calcium monobromide cabr  
635 BeCl- beryllium monochloride anion becl-  
636 BeCl+ beryllium monochloride cation becl+  
637 BF- Boron monofluoride anion bf-  
638 BF+ Boron monofluoride cation bf+  
639 AlF- Aluminum monofluoride anion alf-  
640 AlF+ Aluminum monofluoride cation alf+  
641 BCl boron monochloride bcl  
642 BCl- boron monochloride anion bcl-  
643 BCl+ boron monochloride cation bcl+  
644 AlCl Aluminum monochloride alcl  
645 AlCl- aluminum monochloride anion alcl-  
646 AlCl+ aluminum monochloride cation alcl+  
647 ScF Scandium monofluoride scf  
648 BBr Boron monobromide bbr  
649 GaF Gallium monofluoride gaf  
650 GaF+ Gallium monofluoride cation gaf+  
651 AlBr Aluminum monobromide albr  
652 GaCl Gallium monochloride gacl  
653 GaCl+ Gallium monochloride cation gacl+  
654 AlI Aluminum monoiodide ali  
655 GaBr Gallium monobromide gabr  
656 CF- carbon monofluoride anion cf-  
657 CF+ carbon monofluoride cation cf+  
658 CCl carbon monochloride ccl  
659 CCl- carbon monochloride anion ccl-  
660 CCl+ carbon monochloride cation ccl+  
661 SiF silicon monofluoride sif  
662 SiF- silicon monofluoride anion sif-  
663 SiF+ silicon monofluoride cation sif+  
664 SiCl Clorosilylidyne sicl  
665 SiCl- silicon monochloride anion sicl-  
666 SiCl+ silicon monochloride cation sicl+  
667 CBr Carbon monobromide cbr  
668 GeF Germanium monofluoride gef  
669 GeF+ Germanium monofluoride cation gef+  
670 GeCl Germanium monochloride gecl  
671 GeCl+ Germanium monochloride cation gecl+  
672 SiBr Silicon monobromide sibr  
673 SiBr+ Silicon monobromide cation sibr+  
674 NF- nitrogen monofluorine anion nf-  
675 NF+ nitrogen monofluoirde cation nf+  
676 NCl- nitrogen monochloride anion ncl-  
677 NCl+ nitrogen monochloride cation ncl+  
678 PF phosphorus monofluoride pf  
679 PF- phosphorus monofluoride anion pf-  
680 PF+ phosphorus monofluoride cation pf+  
681 PCl phosphorus chloride pcl  
682 PCl- phosphorus monochloride anion pcl-  
683 PCl+ phosphorus monochloride cation pcl+  
684 AsF Arsenic monofluoride asf  
685 NBr nitrogen monobromide nbr  
686 AsCl Arsenic monochloride ascl  
687 PBr Phosphorus monobromide pbr  
688 SbF Antimony monofluoride sbf  
689 SbCl Antimony monochloride sbcl  
690 FO Oxygen monofluoride fo  
691 FO- flourine oxide anion fo-  
692 FO+ fluorine monoxide cation fo+  
693 ClO- chlorine monoxide anion clo-  
694 ClO+ chlorine monoxide cation clo+  
695 SF Monosulfur monofluoride sf  
696 SF- sulfur monofluoride anion sf-  
697 SF+ sulfur monofluoride cation sf+  
698 SCl- sulfur monochloride anion scl-  
699 SCl+ sulfur monochloride cation scl+  
700 BrO Bromine monoxide bro  
701 BrO- Bromine monoxide anion bro-  
702 BrO+ Bromine monoxide cation bro+  
703 SeF Selenium monofluoride sef  
704 SBr Sulfur monobromide radical sbr  
705 SBr+ Sulfur monobromide cation sbr+  
706 SeCl Selenium monochloride secl  
707 IO Iodine monoxide io  
708 SeBr Selenium monobromide sebr  
709 BrCl Bromine monochloride brcl  
710 F2- flourine diatomic anion f2-  
711 F2+ flourine diatomic cation f2+  
712 ClF- clorine monofluoride anion clf-  
713 ClF+ clorine monofluoride cation clf+  
714 Cl2- chlorine diatomic anion cl2-  
715 BrF Bromine monofluoride brf  
716 BrF- bromine fluoride anion brf-  
717 BrF+ bromine fluoride cation brf+  
718 BrCl- bromine chloride anion brcl-  
719 BrCl+ bromine chloride cation brcl+  
720 IF Iodine monofluoride if  
721 Br2 Bromine diatomic br2  
722 Br2- bromine diatomic anion br2-  
723 Br2+ bromine diatomic cation br2+  
724 ICl Iodine monochloride icl  
725 IBr Iodine monobromide ibr  
726 I2 Iodine diatomic i2  
727 I2+ Iodine diatomic cation i2+  
728 HCF Fluoromethylene hcf  
729 HCCl Chloromethylene hccl  
730 HSiF fluorosilylene hsif  
731 HSiCl Chlorosilylene hsicl  
732 HSiBr monobromosilylene hsibr  
733 CHBr bromomethylene chbr  
734 HOF Hypofluorous acid hfo  
735 DOCl Hypochlorous acid-d docl  
736 HOCl+ hypochlorous acid cation hocl+  
737 HOBr Hypobromous acid hobr  
738 HOBr+ Hypobromous acid cation hobr+  
739 HOI Hypoiodous acid hoi  
740 F2H+ Fluorine, protonated f2h+  
741 FHF Hydrogen difluoride fhf  
742 FHF- Hydrogen difluoride anion fhf-  
743 ClFH+ Chlorine fluoride, F-protonated clfh+  
744 FClH+ Chlorine fluoride, Cl-protonated fclh+  
745 Cl2H+ Chlorine, protonated cl2h+  
746 CH2Br bromomethyl radical ch2br  
747 CH2F fluoromethyl radical ch2f  
748 CH2F+ fluoromethyl cation ch2f+  
749 CH2Cl+ chloromethyl cation ch2cl+  
750 CH2Cl chloromethyl radical ch2cl  
751 NH2F monofluoroamine nh2f  
752 NH2Cl chloramine nh2cl  
753 H2F2 Hydrogen fluoride dimer h2f2  
754 CH3F+ methyl fluoride cation ch3f+  
755 CD3F methylfluoride-d3 cd3f  
756 CH3F Methyl fluoride ch3f  
757 CD3Cl methyl chloride d3 cd3cl  
758 CH3Cl+ Methyl chloride cation ch3cl+  
759 SiH3F monofluorosilane sih3f  
760 SiH3Cl chlorosilane sih3cl  
761 CH3Br methyl bromide ch3br  
762 GeH3F monofluorogermane geh3f  
763 GeH3Cl monochlorogermane geh3cl  
764 SiH3Br bromosilane sih3br  
765 CH3I methyl iodide ch3i  
766 SiH3I Silyl Iodide sih3i  
767 NH3Cl+ protonated monochloroammonia nh3cl+  
768 CH3ClH+ methyl chloride, protonated ch3clh+  
769 NH4Cl Ammonium chloride nh4cl  
770 LiNe+ Lithium Neon cation line+  
771 Ne2 Neon diatomic ne2  
772 Ne2+ Neon diatomic cation ne2+  
773 Ar2 Argon diatomic ar2  
774 Ar2+ Argon diatomic cation ar2+  
775 Li3 Lithium trimer li3  
776 Li3+ Lithium trimer cation li3+  
777 C3 carbon trimer c3  
778 C3+ carbon trimer cation c3+  
779 SiC2 Silicon dicarbide sic2  
780 C3H3 cyclopropenyl radical cpr  
781 C3H3 Propargyl radical propargyl  
782 C3H3- Propargyl anion c3h3-  
783 C3H3+ cyclopropenyl cation cpr+  
784 C3H3+ Propargyl cation c3h3+  
785 C3H4 cyclopropene cprop  
786 CH3CCH propyne propyne  
787 C3H5 Allyl radical allyl  
788 C3H5+ Allyl cation allyl+  
789 CH3CHCH 1-propenyl radical ch3chch  
790 Zn(CH3)2 dimethyl zinc dmz  
791 C3H6 Cyclopropane c3h6  
792 CH2CHCH3 Propene propene  
793 C3H7 n-Propyl radical npropyl  
794 C3H7+ cyclopropane, protonated c3h7+  
795 CH3CHCH3 Isopropyl radical isopropyl  
796 CH3CHCH3+ Isopropyl cation prop2yl+  
797 C3H8 Propane propane  
798 SiH2(CH3)2 dimethylsilane dms  
799 LiCN lithium cyanide licn  
800 NaCN Sodium Cyanide nacn  
801 KCN Potassium cyanide kcn  
802 CuCN Copper cyanide cucn  
803 ZnCN Zinc monocyanide zncn  
804 ZnNC Zinc isocyanide znnc  
805 AlCN Aluminum monocyanide alcn  
806 AlNC Aluminum isocyanide alnc  
807 CN2 3H-Diazirin-3-ylidene cn2  
808 CNN Diazocarbene cnn  
809 NCN Cyanoimidogen ncn  
810 N3 azide radical n3  
811 N3- azide anion n3-  
812 N3+ azide cation n3+  
813 HCCN cyanomethylene hccn  
814 HCNN diazomethyl radical hcnn  
815 HN3+ Hydrazoic acid cation hn3+  
816 HNCNH diiminomethane hncnh  
817 CH2N2 diazirine ch2n2  
818 CH2NN diazomethane ch2nn  
819 NH2CN cyanamide cyanamide  
820 HNNNH+ 1,2-Triazadienium n2h3+  
821 NH2NN+ hydrazoic acid, protonated nh2nn+  
822 CH3CN Acetonitrile ch3cn  
823 CH3CN- acetonitrile anion ch3cn-  
824 CH3CN+ Acetonitrile cation ch3cn+  
825 CH3NC methyl isocyanide ch3nc  
826 CHNCH2 2H-Azirine c157164  
827 CHNHCH 1H-Azirine chnhch  
828 H2CCNH Ethenimine ch2cnh  
829 H2CNCH methyleneaminomethylene ch2nch  
830 HCCNH2 Ethynamine hccnh2  
831 HCNCH2+ 2H-Azirine cation hcnch2+  
832 HNCNH2+ diiminomethane, protonated hncnh2+  
833 NCNH3+ Cyanamide, protonated ncnh3+  
834 NH2CNH+ cyanamide, cn protonated nh2cnh+  
835 NH3CN+ cyanamide, amine protonated nh3cn+  
836 CH2CHNH vinylazine ch2chnh  
837 CH3CHN methylmethaniminyl radical ch3chn  
838 NHCHNH2 aminomethanimine cn2h4  
839 C2H5N Aziridine c2h5n  
840 CH2CHNH2 aminoethene aminoethene  
841 CH2NCH3 N-methylmethanimine nmm  
842 CH3CHNH ethanimine ethanimine  
843 NH2BHNH2 diaminoborane nh2bhnh2  
844 C2H5NH+ Protonated Aziridine c2h5nh+  
845 C2H6N+ aziridine, protonated c2h6n+  
846 NH2CH2NH2 diaminomethane nh2ch2nh2  
847 CH3CH2NH2 Ethylamine etam  
848 CH3NHCH3 Dimethylamine ch3nhch3  
849 CH3PHCH3 dimethylphosphine ch3phch3  
850 NH2CH2NH3+ diaminoethane, protonated pdam  
851 (CH3)2NH2+ dimethylammonium cation dmam  
852 CH3CH2NH3+ ethylamine, protonated pea  
853 Li2O dilithium oxide li2o  
854 Li2O+ dilithium oxide cation li2o+  
855 Li2S dilithium sulfide li2s  
856 Na2O disodium monoxide na2o  
857 Na2S Sodium sulfide na2s  
858 LiO2 Lithium dioxide lio2  
859 NaO2 Sodium superoxide nao2  
860 CCO Dicarbon monoxide cco  
861 CNO- fulminate cno-  
862 NCO isocyanato radical nco  
863 NCO- cyanate nco-  
864 SCN thiocyanato radical scn  
865 SCN- thiocyanide anion scn-  
866 BO2 Boron dioxide bo2  
867 BO2- Boron dioxide anion bo2-  
868 BO2+ Boron dioxide cation bo2+  
869 N2O- Nitrous oxide anion n2o-  
870 N2O+ Nitrous oxide cation n2o+  
871 NNS Nitrogen sulfide nns  
872 PPO Phosphorus oxide phosphide ppo  
873 CO2- Carbon dioxide anion co2-  
874 CO2+ Carbon dioxide cation co2+  
875 OCS Carbonyl sulfide cos  
876 OCS+ Carbonyl sulfide cation cos+  
877 SiO2 silicon dioxide sio2  
878 CS2- Carbon disulfide anion cs2-  
879 CS2+ Carbon disulfide cation cs2+  
880 TiO2 Titanium dioxide tio2  
881 SiS2 Silicon disulfide sis2  
882 GeO2 Germanium dioxide geo2  
883 OCSe Carbonyl selenide ocse  
884 SCSe Carbon sulfide selenide scse  
885 GeS2 Germanium disulfide ges2  
886 CSe2 Carbon diselenide cse2  
887 SCTe Carbon sulfide Telluride scte  
888 NO2 Nitrogen dioxide no2  
889 NO2- Nitrogen dioxide anion no2-  
890 NO2+ Nitrogen dioxide cation no2+  
891 PO2 Phosphorus dioxide po2  
892 PO2- Phosphorus dioxide anion po2-  
893 PO2+ Phosphorus dioxide cation po2+  
894 AsO2 Aresenic dioxide aso2  
895 O3 Ozone o3  
896 O3- Ozone anion o3-  
897 O3+ Ozone cation o3+  
898 SO2 Sulfur dioxide so2  
899 SO2- Sulfur dioxide anion so2-  
900 SO2+ Sulfur dioxide cation so2+  
901 SSO Disulfur monoxide sso  
902 S3- Sulfur trimer anion s3-  
903 S3+ Sulfur trimer cation s3+  
904 SeO2 Selenium dioxide seo2  
905 SeO2+ Selenium dioxide cation seo2+  
906 TeO2 Tellurium Dioxide teo2  
907 HCCO ketenyl radical ketenyl  
908 CS2H+ Carbon disulfide, protonated cs2h+  
909 HCNO fulminic acid hcno  
910 HNCO Isocyanic acid hnco  
911 HOCN cyanic acid hocn  
912 HNCS Isothiocyanic acid hncs  
913 HSCN thiocyanic acid hscn  
914 HCO2- formate anion hco2-  
915 HNNO nitrosoazane hnno  
916 HNNO+ Nitrous oxide, N-protonated hnno+  
917 NNOH+ Nitrous Oxide, O-protonated nnoh+  
918 HCOO formate neutral radical hcoo  
919 HOCO Hydrocarboxyl radical hoco  
920 HOCO+ Hydrocarboxyl cation hoco+  
921 HNO2 Nitrous acid hno2  
922 HNO2+ nitrous acid cation hno2+  
923 O3H+ protonated ozone o3h+  
924 SO2H+ protonated sulfur dioxide so2h+  
925 C2H2O Oxirene oxirene  
926 CH2CO Ketene ch2co  
927 CH2CO+ Ketene cation ch2co+  
928 HCCOH ethynol hccoh  
929 CH2CS Thioketene ch2cs  
930 Be(OH)2 Beryllium hydroxide beo2h2  
931 Mg(OH)2 Magnesium dihydroxide h2mgo2  
932 NH2NO Nitrosamide nh2no  
933 CH2O2 Dioxirane diox  
934 H2COO Dioxymethyl radical h2coo  
935 H2COO+ dioxymethyl cation h2coo+  
936 HCOOH Formic acid ch2o2  
937 H2O3 Hydrogen trioxide h2o3  
938 HSSSH trisulfane hsssh  
939 NaOCH3 Sodium methoxide naoch3  
940 CH2BOH hydroxy(methylene)borane ch2boh  
941 CH3BO Borane, methyloxo- ch3bo  
942 CH2CHO Vinyloxy radical ch2cho  
943 CH2COH+ ketene, protonated ch2coh+  
944 CH3CO Acetyl radical ch3co  
945 CH3CO- Acetyl anion ch3co-  
946 CH3CO+ acetyl cation ch3co+  
947 CH2NOH formaldoxime ch2noh  
948 CH3NO nitrosomethane ch3no  
949 CHONH2 formamide formamide  
950 CNOH3 1,2-oxaziridine cnoh3  
951 HOCHNH hydroxymethylimine hochnh  
952 CHSNH2 thioformamide chsnh2  
953 NHCHSH Methanimidothioic acid nhchsh  
954 CH2OOH CH2OOH radical ch2ooh  
955 CH3OO methylperoxy radical ch3oo  
956 CH3OO- methylperoxy anion ch3oo-  
957 CH3OO+ methylperoxy cation ch3oo+  
958 C2H4O+ ethylene oxide cation c2h4o+  
959 CH2CHOH ethenol ch2choh  
960 CH3CHO Acetaldehyde ch3cho  
961 CH3CHO+ acetaldehyde cation ch3cho+  
962 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
963 C2H4S Thiirane thiirane  
964 CH2CHSH Ethenethiol ch2chsh  
965 CH3CHS Thioacetaldehyde ch3chs  
966 H2CONH2+ protonated formamide h2conh2+  
967 NH2CHOH+ Formamide, O-protonated nh2choh+  
968 NH3CHO+ Formamide, N-Protonated nh3cho+  
969 CH2(OH)2 methanediol ch2o2h2  
970 CH3OOH Methyl peroxide ch3ooh  
971 CH3SSH Hydrogen methyl disulfide ch3ssh  
972 HSCH2SH Methanedithiol ch4s2  
973 H2OH2CO water formaldehyde dimer h2oh2co  
974 C2H4OH+ ethylene oxide, protonated c2h4oh+  
975 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
976 CH3CH2O Ethoxy radical ethoxy  
977 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
978 CH3CHOH+ acetaldehyde, protonated ch3choh+  
979 CH3OCH2 methoxymethyl radical ch3och2  
980 NH2CH2OH aminomethanol nh2ch2oh  
981 CH3CH2OH Ethanol etoh  
982 CH3OCH3 Dimethyl ether meome  
983 CH3CH2SH ethanethiol etsh  
984 CH3SCH3 Dimethyl sulfide mesme  
985 CH3SCH3+ dimethyl sulfide cation mesme+  
986 CH3SeCH3 dimethylselenide dmse  
987 CH3OHH2O methanol water dimer ch3ohh2o  
988 H2OCH3OH water methanol dimer h2och3oh  
989 CuF2 Copper difluoride cuf2  
990 ZnF2 Zinc difluoride znf2  
991 CNF iso cyanogen fluoride cnf  
992 FCN Cyanogen fluoride fcn  
993 ClCN chlorocyanogen clcn  
994 BrCN Cyanogen bromide brcn  
995 ICN Cyanogen iodide icn  
996 FBO Boron monofluoride monoxide fbo  
997 BeF2 Beryllium fluoride bef2  
998 MgF2 Magnesium fluoride mgf2  
999 BeCl2 Beryllium chloride becl2  
1000 MgCl2 Magnesium dichloride mgcl2  
1001 CaCl2 Calcium Chloride cacl2  
1002 ZnCl2 Zinc dichloride zncl2  
1003 BeBr2 Beryllium bromide bebr2  
1004 CaBr2 Calcium dibromide cabr2  
1005 CaF2 Calcium difluoride caf2  
1006 FCO Carbonyl fluoride fco  
1007 FCO+ Carbonyl fluoride cation fco+  
1008 ClCO carbonyl monochloride clco  
1009 BF2 Boron difluoride radical bf2  
1010 ClNO Nitrosyl chloride clno  
1011 OPCl Phosphorus oxychloride opcl  
1012 BrNO Nitrosyl bromide brno  
1013 INO Nitrosyl iodide ino  
1014 CF2- Difluoromethylene anion cf2-  
1015 CF2+ Difluoromethylene cation cf2+  
1016 CFCl chlorofluoromethylene cfcl  
1017 SiF2 Silicon difluoride sif2  
1018 SiF2+ Silicon difluoride cation sif2+  
1019 CCl2 dichloromethylene ccl2  
1020 CCl2- dichloromethylene anion ccl2-  
1021 CCl2+ dichloromethylene cation ccl2+  
1022 SiCl2 Dichlorosilylene sicl2  
1023 GeF2 Germanium difluoride gef2  
1024 GeCl2 Germanium dichloride gecl2  
1025 CBr2 dibromomethylene cbr2  
1026 FOO Dioxygen monofluoride radical foo  
1027 FOO+ Fluorine dioxide cation foo+  
1028 ClOO chloroperoxy radical cloo  
1029 ClOO+ chloroperoxy cation cloo+  
1030 OClO- Chlorine dioxide anion oclo-  
1031 OClO+ Chlorine dioxide cation oclo+  
1032 ClS2 Sulfur chloride cls2  
1033 BrOO Bromine dioxide broo  
1034 OBrO Bromine dioxide radical obro  
1035 NF2 Difluoroamino radical nf2  
1036 NF2+ Difluoroamino cation nf2+  
1037 PF2 Phosphorus difluoride pf2  
1038 PF2+ Phosphorus difluoride cation pf2+  
1039 F2O Difluorine monoxide f2o  
1040 SF2 sulfur difluoride sf2  
1041 SF2- sulfur difluoride anion sf2-  
1042 SF2+ sulfur difluoride cation sf2+  
1043 Cl2O Dichlorine monoxide cl2o  
1044 SCl2 Sulfur dichloride scl2  
1045 SeF2 Selenium difluoride sef2  
1046 BrOCl Bromine hypochlorite brocl  
1047 SeCl2 Selenium Dichloride secl2  
1048 SBr2 Sulfur dibromide sbr2  
1049 SeBr2 Selenium dibromide sebr2  
1050 BrOBr Bromine oxide brobr  
1051 F3- trifluoride anion f3-  
1052 Cl3- trichloride anion cl3-  
1053 Br3- tribromide anion br3-  
1054 I3- triiodide i3-  
1055 SFCl Sulfur chloride fluoride sfcl  
1056 HCCF Fluoroacetylene hccf  
1057 HCCF+ fluoroacetylene cation hccf+  
1058 HCCCl Chloroacetylene hcccl  
1059 HCCBr bromoacetylene hccbr  
1060 HFCO formyl fluoride hfco  
1061 HFCO+ formyl fluoride cation hfco+  
1062 COHCl Formyl chloride cohcl  
1063 COHBr Formyl bromide cohbr  
1064 BHF2 Difluoroborane bhf2  
1065 BHCl2 Borane, dichloro- bhcl2  
1066 CHCl2 dichloromethyl radical chcl2  
1067 CHF2 difluoromethyl radical chf2  
1068 CHF2+ difluoromethyl cation chf2+  
1069 CHFCl Chlorofluoromethyl radical chfcl  
1070 CHFCl+ Chlorofluoromethyl cation chfcl+  
1071 CHCl2+ dichloromethyl cation chcl2+  
1072 CHBr2 dibromomethyl radical chbr2  
1073 HOClO Chlorous acid hoclo  
1074 NHF2 difluoramine nhf2  
1075 NHCl2 dichloroamine nhcl2  
1076 CH2F2 Methane, difluoro- ch2f2  
1077 CH2FCl fluorochloromethane ch2fcl  
1078 SiH2F2 difluorosilane sih2f2  
1079 CH2Cl2 Methylene chloride ch2cl2  
1080 CH2BrF Methane, bromofluoro- ch2fbr  
1081 CH2BrCl Methane, bromochloro- ch2clbr  
1082 CH2FI fluoroiodomethane ch2fi  
1083 CH2Br2 dibromomethane ch2br2  
1084 CH2ClI chloroiodomethane ch2cli  
1085 CH2BrI bromoiodomethane ch2bri  
1086 CH2I2 Diiodomethane ch2i2  
1087 SiH2Cl2 dichlorosilane sih2cl2  
1088 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1089 CH2CHF Ethene, fluoro- ch2chf  
1090 CH2CHF+ fluoroethene cation ch2chf+  
1091 C2H3Cl Ethene, chloro- ch2chcl  
1092 C2H3Br vinyl bromide c2h3br  
1093 C2H3I Vinyl iodide c2h3i  
1094 CH2FOH fluoromethanol ch2foh  
1095 CH3OCl methyl hypochlorite ch3ocl  
1096 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1097 CHClCH3 1-chloroethyl radical chclch3  
1098 C2H5F fluoroethane c2h5f  
1099 CH3CH2Cl Ethyl chloride c2h5cl  
1100 CH3SiFH2 fluoromethylsilane ch3sifh2  
1101 C2H5Br Ethyl bromide etbr  
1102 C2H5I Ethyl iodide c2h5i  
1103 KrF2 Krypton difluoride krf2  
1104 XeF2 Xenon difluoride xef2  
1105 B4H10 Tetraborane(10) b4h10  
1106 C4 Carbon tetramer c4  
1107 C4+ Carbon tetramer cation c4+  
1108 C4H2 Diacetylene c4h2  
1109 C4H2+ diacetlyene cation c4h2+  
1110 C2H3CCH 1-Buten-3-yne c2h3cch  
1111 C4H4 cyclobutadiene cbd  
1112 C4H4 Tetrahedrane c4h4  
1113 H2CCCCH2 Butatriene h2cccch2  
1114 C4H6 1-Methylcyclopropene c3100047  
1115 C4H6 Cyclobutene c822355  
1116 C4H6 Methylenecyclopropane c6142730  
1117 CH2CCHCH3 1,2-Butadiene butad12  
1118 CH2CHCHCH2 1,3-Butadiene c106990  
1119 CH3CCCH3 2-Butyne c503173  
1120 CHCCH2CH3 1-Butyne c107006  
1121 CH3CHCHCH2 methylallyl radical c4h7  
1122 C4H8 methylcyclopropane mcp  
1123 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1124 CH2CHCH2CH3 1-Butene bute1  
1125 CH3CHCHCH3 2-Butene, (E)- bute2e  
1126 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1127 B(CH3)3 trimethylborane bme3  
1128 Al(CH3)3 trimethyl aluminum tma  
1129 C(CH3)3 Tert-butyl radical tbutyl  
1130 CH2CH(CH3)2 Isobutyl radical isobutyl  
1131 CH3CHCH2CH3 2-Butyl radical butyl2  
1132 CH3CH(CH3)CH3 Isobutane isobutane  
1133 CH3CH2CH2CH3 Butane butane  
1134 SiH(CH3)3 trimethylsilane trimsi  
1135 Li3N trilithium nitride li3n  
1136 C2N2 Cyanogen c2n2  
1137 C2N2+ Cyanogen cation c2n2+  
1138 P4 Phosphorus tetramer p4  
1139 As4 Arsenic tetramer as4  
1140 HCCCN Cyanoacetylene hcccn  
1141 HCCCN+ Cyanoacetylene cation hcccn+  
1142 H2CNCN cyanamide, methylene ch2ncn  
1143 HNCCNH Ethenediimine hnccnh  
1144 C3H3N acrylonitrile ch2chcn  
1145 C3H3N+ acrylonitrile cation ch2chcn+  
1146 CH3N3 methyl azide ch3n3  
1147 NH2CCNH2 Diaminoacetylene daa  
1148 NH2CH2CN Aminoacetonitrile aan  
1149 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1150 C2H5CN ethyl cyanide c2h5cn  
1151 CH5N3 Guanidine guanidine  
1152 C4H6 Bicyclo[1.1.0]butane c157335  
1153 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1154 H2NCHCHNH2 diaminoethylene dae  
1155 CH6N3+ guanidinium ch6n3+  
1156 C3H7N Cyclopropylamine cpram  
1157 CH7N3 triaminomethane tam  
1158 C3H7N Azetidine azet  
1159 C4H8 cyclobutane cbutane  
1160 C2H8N2 Ethylenediamine ethdiam  
1161 CH3NHNHCH3 dimethyl hydrazine dmh  
1162 CH3CH(NH2)CH3 2-Propanamine pram2  
1163 N(CH3)3 Trimethylamine trimeam  
1164 NH2CH2CH2CH3 1-Propanamine pram1  
1165 P(CH3)3 trimethylphosphine tmp  
1166 N(SiH3)3 trisilylamine tsa  
1167 As(CH3)3 trimethyl arsine tmas  
1168 (CH3)3NH+ protonated trimethyl amine ptma  
1169 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1170 Li2O2 dilithium dioxide li2o2  
1171 Na2O2 disodium dioxide na2o2  
1172 K2O2 dipotassium dioxide k2o2  
1173 C3O Tricarbon monoxide c3o  
1174 B2O2 Diboron dioxide b2o2  
1175 ONNO NO dimer onno  
1176 CO3 Carbon trioxide co3  
1177 CO3-- carbonate co3--  
1178 CS3-- Carbonotrithioate cs3--  
1179 NO3 Nitrogen trioxide no3  
1180 NO3- nitrate anion no3-  
1181 NO3+ nitrogen trioxide cation no3+  
1182 SO3 Sulfur trioxide so3  
1183 SO3- Sulfur trioxide anion so3-  
1184 SO3-- Sulfate dianion so3--  
1185 SO3+ Sulfur trioxide cation so3+  
1186 SeO3 selenium trioxide seo3  
1187 S4 Sulfur tetramer s4  
1188 TeO3 Tellurium trioxide teo3  
1189 HCO3- bicarbonate anion hco3-  
1190 HNO3 Nitric acid hno3  
1191 HSO3 Hydroxysulfonyl radical hso3  
1192 NH2NO2 nitramide nh2no2  
1193 C2H2CO cyclopropenone c2h2co  
1194 C3H2O Propadienal c3h2o  
1195 HCCCHO 2-propynal hcccho  
1196 C2H2O2 Ethanedial c2h2o2  
1197 C2H2O2+ Ethanedial cation c2h2o2+  
1198 H2CO3 Carbonic acid h2co3  
1199 H2CS3 thiocarbonic acid h2cs3  
1200 H2NO3+ Nitric Acid, Protonated h2no3+  
1201 H2SO3 Sulfurous acid h2so3  
1202 C2H3NO Nitrosoethylene c2h3no  
1203 CH3NCO methylisocyante ch3nco  
1204 HOCH2CN cyanomethanol hoch2cn  
1205 CH3COO- acetate anion ch3coo-  
1206 CH3NO2 Methane, nitro- ch3no2  
1207 CH3ONO Methyl nitrite ch3ono  
1208 NH2COOH Carbamic acid nh2cooh  
1209 H3BO3 Boric acid h3bo3  
1210 H3AlO3 Aluminum hydroxide h3alo3  
1211 H3CO3+ carbonic acid, protonated h3co3+  
1212 C3H4O 2-Propyn-1-ol c107197  
1213 C3H4O allenol c9000071  
1214 C3H4O Cyclopropanone cpone  
1215 C3H4O Methylketene c6004440  
1216 CH2CHCHO Acrolein c3h4o  
1217 NH2CONH2 Urea urea  
1218 NH2CONH2+ Urea cation urea+  
1219 NH2CSNH2 Thiourea thiourea  
1220 C2H4O2 1,3-dioxetane c2h4o2  
1221 CH3COOH Acetic acid ch3cooh  
1222 CH3OCHO methyl formate ch3ocho  
1223 CHOCH2OH hydroxy acetaldehyde haa  
1224 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1225 NH3COOH+ protonated Carbamic acid nh3cooh+  
1226 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1227 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1228 HCOOHH2O Formic acid water dimer hcoohh2o  
1229 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1230 CH3COCH2 Acetonyl radical ch3coch2  
1231 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1232 CH3C(OH)=NH Ethaninidic acid eia  
1233 CH3CHNOH Acetaldoxime acetaldoxime  
1234 CH3CONH2 Acetamide acetamide  
1235 HCONHCH3 N-methylformamide nmfa  
1236 CH3CSNH2 Ethanethioamide ch3csnh2  
1237 CH5N2O+ urea, N-protonated ch4n2o+  
1238 H2NCOHNH2+ urea, protonated ureah+  
1239 C2H5OO ethylperoxy radical c2h5oo  
1240 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1241 C3H5OH Cyclopropanol cproh  
1242 C3H6O 2-Propen-1-ol c107186  
1243 C3H6O Acetone enol enol  
1244 C3H6O Oxetane oxetane  
1245 C3H6O Propylene oxide prox  
1246 CH3CH2CHO Propanal propanal  
1247 CH3COCH3 Acetone acetone  
1248 CH3COCH3- acetone anion ch3coch3-  
1249 C3H6S Thietane thietane  
1250 C3H6S Thiirane, methyl- methiirane  
1251 CH3CSCH3 Thioacetone ch3csch3  
1252 C2H6O2 1,2-Ethanediol ethdiol  
1253 CH3OOCH3 dimethylperoxide dmp  
1254 CH3SOCH3 Dimethyl sulfoxide dmso  
1255 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1256 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1257 CH3COHCH3+ acetone, protonated acetoneh+  
1258 HOCH2CH2NH2 monoethanolamine mea  
1259 C3H7OH 1-Propanol proh  
1260 CH3CHOHCH3 Isopropyl alcohol isoproh  
1261 CH3OC2H5 Ethane, methoxy- etome  
1262 C3H7SH 1-Propanethiol prsh  
1263 CH3CHSHCH3 2-Propanethiol isoprsh  
1264 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1265 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1266 Li2F2 Lithium fluoride dimer li2f2  
1267 Na2F2 Sodium Fluoride Dimer na2f2  
1268 Na2Cl2 Disodium dichloride na2cl2  
1269 C2F2 difluoroacetylene c2f2  
1270 C2Cl2 dichloroacetylene c2cl2  
1271 C2Cl2+ dichloroacetylene cation c2cl2+  
1272 FNO2 Nitryl fluoride fno2  
1273 FONO Nitrosyl hypofluorite fono  
1274 ClNO2 Nitryl chloride clno2  
1275 ClONO chlorine nitrite clono  
1276 BrONO Bromine nitrite brono  
1277 N2F2 (Z)-Difluorodiazene n2f2_z  
1278 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1279 CF2O Carbonic difluoride f2co  
1280 CF2O+ Carbonic difluoride cation f2co+  
1281 COFCl Carbonic chloride fluoride cofcl  
1282 CCl2O Phosgene cl2co  
1283 Cl2CS Thiophosgene cl2cs  
1284 COBr2 Carbonic dibromide cobr2  
1285 BF3- Borane, trifluoro- anion bf3-  
1286 BF3+ boron trifluoride cation bf3+  
1287 BClF2 Chlorodifluoroborane bclf2  
1288 AlF2Cl Aluminum chloride difluoride alclf2  
1289 ScF3 Scandium trifluoride ScF3  
1290 AlFCl2 Aluminum dichloride fluoride alcl2f  
1291 BCl3 Borane, trichloro- bcl3  
1292 BCl3+ Boron Trichloride cation bcl3+  
1293 GaF3 Gallium trifluoride gaf3  
1294 AlCl3 Aluminum trichloride alcl3  
1295 GaCl3 Gallium trichloride gacl3  
1296 BBr3 Boron tribromide bbr3  
1297 AlBr3 Aluminum Bromide albr3  
1298 ClO3 Chlorine trioxide clo3  
1299 ClO3- chlorate anion clo3-  
1300 BrO3- Bromate anion bro3-  
1301 CF3 Trifluoromethyl radical cf3  
1302 CF3- Trifluoromethyl anion cf3-  
1303 CF3+ Trifluoromethyl cation cf3+  
1304 CF2Cl difluorochloromethyl radical cf2cl  
1305 SiF3 Silicon trifluoride radical sif3  
1306 SiF3+ Silicon trifluoride cation sif3+  
1307 CFCl2 dichlorofluoromethyl radical cfcl2  
1308 CCl3 Trichloromethyl radical ccl3  
1309 CCl3- Trichloromethyl anion ccl3-  
1310 CCl3+ Trichloromethyl cation ccl3+  
1311 SiCl3 trichlorosilyl radical sicl3  
1312 SiCl3+ trichlorosilyl cation sicl3+  
1313 CBr3 tribromomethyl radical cbr3  
1314 FOOF Perfluoroperoxide foof  
1315 F2SO Thionyl Fluoride f2so  
1316 ClOOCl Dichlorine dioxide cloocl  
1317 FSSF Difluorodisulfane fssf  
1318 S2F2 Thio-thionyl fluoride s2f2  
1319 SOCl2 thionyl chloride socl2  
1320 SSCl2 Thiothionyl chloride sscl2  
1321 SeOCl2 selenium oxychloride seocl2  
1322 NF3 Nitrogen trifluoride nf3  
1323 NF3- Nitrogen trifluoride anion nf3-  
1324 NF3+ Nitrogen trifluoride cation nf3+  
1325 PF3 Phosphorus trifluoride pf3  
1326 NCl3 nitrogen trichloride ncl3  
1327 AsF3 Arsenic trifluoride asf3  
1328 PCl3 Phosphorus trichloride pcl3  
1329 SbF3 Antimony Trifluoride sbf3  
1330 AsCl3 Arsenous trichloride ascl3  
1331 SbCl3 Antimony Trichloride sbcl3  
1332 NBr3 Nitrogen Tribromide nbr3  
1333 PBr3 Phosphorus tribromide pbr3  
1334 AsBr3 Arsenic tribromide asbr3  
1335 NI3 Nitrogen triiodide ni3  
1336 PI3 Phosphorus triiodide pi3  
1337 ClSSCl Disulfur dichloride s2cl2  
1338 SF3 Sulfur trifluoride sf3  
1339 ClF3 Chlorine trifluoride clf3  
1340 BrF3 Bromine trifluoride brf3  
1341 IF3 iodone trifluoride if3  
1342 HClO3 Chloric Acid hclo3  
1343 CHF3 Methane, trifluoro- chf3  
1344 CHF2Cl difluorochloromethane chf2cl  
1345 SiHF3 trifluorosilane sihf3  
1346 CHFCl2 fluorodichloromethane chfcl2  
1347 CDCl3 trichloromethane-d cdcl3  
1348 CHCl3 Chloroform chcl3  
1349 CHBrF2 Methane, bromodifluoro- chbrf2  
1350 SiHCl3 Trichlorosilane sihcl3  
1351 CHFClBr fluorochlorobromomethane chfclbr  
1352 CHBrCl2 Methane, bromodichloro- chbrcl2  
1353 CHF2I difluoroiodomethane chf2i  
1354 CHBr2F dibromofluoromethane chbr2f  
1355 CHFClI fluorochloroiodomethane chfcli  
1356 CHCl2I dichloroiodomethane chcl2i  
1357 CHClBr2 Methane, dibromochloro- chclbr2  
1358 CHBr3 bromoform chbr3  
1359 CHI3 Iodoform chi3  
1360 NF3H+ protonated nitrogen trifluoride nf3h+  
1361 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1362 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1363 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1364 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1365 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1366 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1367 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1368 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1369 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1370 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1371 C2H2Br2 1,1-dibromoethene c2h2br2  
1372 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1373 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1374 CH2FCHO Fluoroacetaldehyde ch2fcho  
1375 CH3COF Acetyl fluoride ch3cof  
1376 CH2ClCHO chloroacetaldehyde ch2clcho  
1377 CH3COCl Acetyl Chloride ch3cocl  
1378 C2H4F2 1,2-difluoroethane c2h4f2  
1379 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1380 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1381 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1382 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1383 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1384 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1385 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1386 CH2CFCH3 2-fluoropropene 2fpro  
1387 CH2CHCH2F Allyl Fluoride allylf  
1388 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1389 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1390 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1391 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1392 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1393 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1394 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1395 CH2FCH2CH3 1-Fluoropropane prf1  
1396 CH3CHFCH3 2-Fluoropropane prf2  
1397 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1398 CH3CHClCH3 Propane, 2-chloro- prcl2  
1399 CH3CH2CH2Br n-propyl bromide prbr  
1400 CH3CHBrCH3 i-propyl bromide iprbr  
1401 C3H9O+ trimethyl oxonium cation c3h9o+  
1402 B5H9 pentaborane9 b5h9  
1403 C5H4 pentatetraene ptrene  
1404 C5H5 cyclopentadienyl radical c5h5  
1405 C5H5- cylopentadienyl anion c5h5-  
1406 C5H6 1,3-Cyclopentadiene c542927  
1407 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1408 C5H6 3-Penten-1-yne, (E)- c2004695  
1409 C5H6 3-Penten-1-yne, (Z)- c1574409  
1410 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1411 C5H6 Cyclopropylacetylene c6746947  
1412 C5H6 Propellane propellane  
1413 C5H7 1,3-pentadienyl radical pdyl  
1414 C5H7 cyclopentenyl radical cpyl  
1415 C5H8 1,2-Butadiene, 3-methyl- c598254  
1416 C5H8 1,2-Pentadiene c591957  
1417 C5H8 1,3-Butadiene, 2-methyl- c78795  
1418 C5H8 1,3-Pentadiene, (E)- c2004708  
1419 C5H8 1,3-Pentadiene, (Z)- c1574410  
1420 C5H8 1,4-Pentadiene c591935  
1421 C5H8 1-pentyne a1pentyne  
1422 C5H8 2,3-Pentadiene c591968  
1423 C5H8 Bicyclo[1.1.1]pentane bcp  
1424 C5H8 Cyclobutane, methylene- c1120565  
1425 C5H8 Cyclopentene c142290  
1426 C5H8 Ethenylcyclopropane c693867  
1427 CH3CCCH2CH3 2-Pentyne 2pentyne  
1428 C5H10 1-Butene, 2-methyl- c563462  
1429 C5H10 2-Butene, 2-methyl- c513359  
1430 C5H10 2-Pentene, (E)- c646048  
1431 C5H10 2-Pentene, (Z)- c627203  
1432 C5H10 Cyclopentane c287923  
1433 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1434 CH2CHCH2CH2CH3 1-pentene pentene  
1435 C5H11 2-Methylbut-2-yl radical c4348350  
1436 C5H12 Butane, 2-methyl- buta2  
1437 C5H12 Pentane pentane  
1438 C5H12 Propane, 2,2-dimethyl- neopentane  
1439 Si(CH3)4 tetramethylsilane tms  
1440 N2O3 Dinitrogen trioxide n2o3  
1441 C3H2N2 Malononitrile c3h2n2  
1442 CH2N4 1H-Tetrazole 1htz  
1443 C3H3N2 imidazolyl radical im  
1444 C3H3N2- imidizolyl anion im-  
1445 C2H3N3 1H-1,2,4-Triazole c288880  
1446 C4H4N pyrrolide radical c4h4n  
1447 C4H4N- pyrrolide anion c4h4n-  
1448 C3H4N2 1H-Imidazole 1himidaz  
1449 C3H4N2 1H-Pyrazole 1hpyraz  
1450 C3H4N2 2H-Imidazole imid2h  
1451 C3H4N2 4H-Imidazole imid4h  
1452 C4H5N (E)-2-Butenenitrile c627269  
1453 C4H5N (Z)-2-Butenenitrile c1190767  
1454 C4H5N 2H-pyrrole pyrrole2  
1455 C4H5N 3H-pyrrole pyrrole3  
1456 C4H5N Cyclopropanecarbonitrile c5500210  
1457 C4H5N Pyrrole pyrrole  
1458 CH2CHCH2CN Allylcyanide ch2chch2cn  
1459 C4H6N+ pyrrole, alpha-protonated appyr  
1460 C4H6N+ pyrrole, beta-protonated bppyr  
1461 C4H6N+ pyrrole, protonated ppyr  
1462 C3H6N2 3-Aminopropionitrile c151188  
1463 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1464 CH3CH2CH2CN Butanenitrile c109740  
1465 C5H8 Bicyclo[2.1.0]pentane c185944  
1466 C5H8 Spiropentane c157404  
1467 C4H9N Cyclobutylamine cbam  
1468 C4H9N Pyrrolidine pyrrolidine  
1469 C3H10N2 1,2-Diaminopropane diampr12  
1470 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1471 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1472 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1473 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1474 NH(C2H5)2 diethylamine dea  
1475 NC4H12+ tetramethyl ammonium cation nc4h12+  
1476 C3O2 Carbon suboxide c3o2  
1477 C3O2+ Carbon suboxide cation c3o2+  
1478 B2O3 diboron trioxide b2o3  
1479 MgCO3 Magnesium Carbonate mgco3  
1480 BeCO3 Beryllium Carbonate beco3  
1481 CaCO3 Calcium Carbonate caco3  
1482 ONONO Nitrosyl nitrite onono  
1483 PO4--- phosphate po4---  
1484 SO4-- sulfate so4--  
1485 HOONO2 peroxy nitric acid hoono2  
1486 HSO4- bisulfate anion hso4-  
1487 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1488 C3H2O2 Propiolic acid c3h2o2  
1489 CHOCOOH oxo acetic acid oaa  
1490 CHOOCHO diformyl ether choocho  
1491 H2SO4 Sulfuric acid h2so4  
1492 H2SeO4 Selenic acid h2seo4  
1493 C3H3NO Isoxazole isox  
1494 C3H3NO Oxazole oxazole  
1495 C3H3NS Thiazole thiazole  
1496 CH3C(O)OO acetyl peroxy radical ch3coo2  
1497 CH3NO3 Methyl nitrate ch3no3  
1498 H3PO4 Phosphoric Acid h3po4  
1499 C4H4O Furan furan  
1500 C4H4O+ Furan cation furan+  
1501 CH3COCCH 3-butyn-2-one c1423605  
1502 C4H4S Thiophene furans  
1503 C4H4Se selenophene c4h4se  
1504 C3H4O2 β–Propiolactone beta  
1505 C3H4O2 2-Propenoic acid propenoic2  
1506 C3H4O2 Methyl glyoxal megly  
1507 C3H4O2 propanedial propanedial  
1508 C3H4O2 propenalol propenalol  
1509 HOCHCCHOH allenediol aldiol  
1510 C2H4O3 1,2,3-trioxolane c2h4o3  
1511 C2H4O3 trioxolane124 triox  
1512 HOCH2COOH Hydroxyacetic acid hac  
1513 CH2CHCONH2 Acrylamide c79061  
1514 CH3OCH2CN Methoxyacetonitrile c1738369  
1515 CH5N3S Hydrazinecarbothioamide c79196  
1516 H2NCH2COOH Glycine glycine  
1517 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1518 C4H6O cis-2-butenal butenal2c  
1519 C4H6O Cyclobutanone cbutone  
1520 C4H6O Furan, 2,3-dihydro- furan23h  
1521 C4H6O Furan, 2,5-dihydro- furan25h  
1522 CH2CHOCHCH2 Vinyl ether vinylether  
1523 CHOCHCHCH3 2-Butenal butenal2  
1524 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1525 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1526 CH2CHSCHCH2 Divinyl sulfide divis  
1527 C2H6N2O Urea, methyl- c598505  
1528 C3H6O2 1,3-Dioxolane dioxolane  
1529 CH3CH2COOH Propanoic Acid propanoic  
1530 CH3COOCH3 methyl acetate aame  
1531 HCOOC2H5 Ethyl formate faee  
1532 C2H6O2S Dimethyl sulfone c67710  
1533 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1534 C3H7NO dimethylformamide dmf  
1535 C3H7NO Propanamide propanam  
1536 C2H3OC2H5 Ethene, ethoxy- c109922  
1537 C4H8O Cyclobutanol c2919235  
1538 C4H8O Furan, tetrahydro- thf  
1539 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1540 CH3COCH2CH3 2-Butanone buta2one  
1541 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1542 CHOCH2CH2CH3 Butanal butanal  
1543 C4H8S Thiophene, tetrahydro- tht  
1544 C3H8O2 1,3-Propanediol c504632  
1545 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1546 C3H8O2 Methane, dimethoxy- c109875  
1547 C3H8O2 Propylene glycol c57556  
1548 C3H8S2 1,3-Propanedithiol c109808  
1549 C4H10O 1-Butanol butanol1  
1550 C4H10O 1-Propanol, 2-methyl- c78831  
1551 C4H10O 2-Butanol, (.+/-.)- butanol2  
1552 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1553 C4H10O Ethoxy ethane etoet  
1554 C4H10O Methyl propyl ether meopr  
1555 C4H10O Propane, 2-methoxy- c598538  
1556 C4H10O+ 1-Butanol cation butanol1+  
1557 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1558 C2H5SC2H5 Diethyl sulfide etset  
1559 C4H9SH 1-Butanethiol bush  
1560 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1561 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1562 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1563 FNO3 Fluorine nitrate fno3  
1564 ClONO2 Chlorine nitrate clono2  
1565 BrONO2 Bromine nitrate brono2  
1566 TiCl4 Titanium tetrachloride ticl4  
1567 ClO4- perchlorate anion clo4-  
1568 BF4- tetrafluoroboron anion bf4-  
1569 ClFO3 Perchloryl fluoride clfo3  
1570 SO2F2 Sulfuryl fluoride so2f2  
1571 SO2Cl2 Sulfuryl chloride so2cl2  
1572 F3NO Nitrogen trifluoride oxide f3no  
1573 F3PO Phosphoryl fluoride pf3o  
1574 Cl3PO Phosphoryl chloride pcl3o  
1575 CF4 Carbon tetrafluoride cf4  
1576 CF3Cl Methane, chlorotrifluoro- cf3cl  
1577 SiF4 Silicon tetrafluoride sif4  
1578 CF2Cl2 difluorodichloromethane cf2cl2  
1579 TiF4 Titanium tetrafluoride tif4  
1580 CFCl3 Trichloromonofluoromethane cfcl3  
1581 CF3Br Bromotrifluoromethane cf3br  
1582 GeF4 Germanium tetrafluoride gef4  
1583 CCl4 Carbon tetrachloride ccl4  
1584 CCl4+ Carbon tetrachloride cation ccl4+  
1585 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1586 SiCl4 Silane, tetrachloro- sicl4  
1587 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1588 CF3I trifluoroiodomethane cf3i  
1589 CBrCl3 Methane, bromotrichloro- cbrcl3  
1590 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1591 GeCl4 Germanium Tetrachloride gecl4  
1592 CBr2ClF dibromochlorofluoromethane cbr2clf  
1593 CBr2Cl2 dibromodichloromethane cbr2cl2  
1594 CCl3I trichloroiodomethane ccl3i  
1595 CFBr3 fluorotribromomethane cfbr3  
1596 CFClBrI fluorochlorobromoiodomethane cfclbri  
1597 CBr3Cl tribromochloromethane cbr3cl  
1598 CF2I2 difluorodiiodomethane cf2i2  
1599 CBr4 Carbon tetrabromide cbr4  
1600 CCl2I2 dichlorodiiodomethane ccl2i2  
1601 SiBr4 Silicon tetrabromide sibr4  
1602 CBr3I tribromoiododmethane cbr3i  
1603 GeBr4 Germanium tetrabromide gebr4  
1604 CI4 tetraiodomethane ci4  
1605 SiI4 silicon tetraiodide sii4  
1606 ClOF3 Chlorine trifluoride oxide clof3  
1607 SF4 Sulfur tetrafluoride sf4  
1608 SeF4 Selenium tetrafluoride sef4  
1609 SCl4 Sulfur tetrachloride scl4  
1610 C2HF3 Trifluoroethylene c2hf3  
1611 C2HF3+ Trifluoroethylene cation c2hf3+  
1612 CHClCCl2 Trichloroethylene chclccl2  
1613 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1614 HSO3F Fluorosulfonic acid hso3f  
1615 CF3OH trifluoromethanol cf3oh  
1616 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1617 CHClCCHCl 1,3-dichloroallene chclcchcl  
1618 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1619 CHCl2CHO dichloroacetaldehyde chcl2cho  
1620 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1621 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1622 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1623 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1624 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1625 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1626 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1627 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1628 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1629 NH3BCl3 Amminetrichloroboron nh3bcl3  
1630 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1631 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1632 C3H5ClO Oxirane, (chloromethyl)- c106898  
1633 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1634 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1635 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1636 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1637 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1638 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1639 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1640 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1641 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1642 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1643 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1644 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1645 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1646 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1647 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1648 C4H9F 1-fluorobutane butaf1  
1649 CH3CHFCH2CH3 2-fluorobutane butaf2  
1650 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1651 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1652 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1653 XeF4 Xenon tetrafluoride xef4  
1654 C2H2N2O Furazan furazan  
1655 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1656 NH3BF3 Amminetrifluoroboron nh3bf3  
1657 C6H2 hexatriyne c6h2  
1658 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1659 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1660 C6H4 Benzyne benzyne  
1661 C6H5 phenyl phenyl  
1662 C6H5- phenyl anion phenyl-  
1663 C6H6 Prismane prismane  
1664 C6H6 1,2,4,5-Hexatetraene ht1245  
1665 C6H6 2,4-Hexadiyne hexadiyne  
1666 C6H6 3,4-Dimethylenecyclobutene cb34m  
1667 C6H6 Benzene benzene  
1668 C6H6 Benzvalene bv  
1669 C6H6 Dewar Benzene dewar  
1670 C6H6 Hexa-1,5-diene-3-yne hdy153  
1671 C6H6 Trimethylenecycopropane tmcp  
1672 C6H6+ Benzene cation c6h6+  
1673 C6H7+ benzene, protonated c6h7+  
1674 C6H8 (E)-hexa-1,3,5-triene c821078  
1675 C6H8 (E)-hexa-2,3,4-triene c59660650  
1676 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1677 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1678 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1679 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1680 C6H8 3-Methylenecyclopentene c930267  
1681 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1682 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1683 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1684 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1685 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1686 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1687 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1688 C6H10 1,5-Hexadiene c592427  
1689 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1690 C6H10 1-Hexyne hexyne1  
1691 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1692 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1693 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1694 C6H10 2-Hexyne c764352  
1695 C6H10 3-Hexyne hexyne3  
1696 C6H10 cyclohexene cyclohexene  
1697 C6H10 Cyclopentene, 1-methyl- c693890  
1698 C6H10 Cyclopentene, 3-methyl- c1120623  
1699 C6H10 Cyclopentene, 4-methyl- c1759815  
1700 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1701 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1702 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1703 C6H12 (E)-2-Hexene e2hexene  
1704 C6H12 (E)-3-methylpent-2-ene c616126  
1705 C6H12 (E)-hex-3-ene e3hexene  
1706 C6H12 (Z)-3-methylpent-2-ene c922623  
1707 C6H12 (Z)-hex-2-ene z2hexene  
1708 C6H12 (Z)-hex-3-ene z3hexene  
1709 C6H12 2,3-dimethylbut-1-ene c563780  
1710 C6H12 2,3-dimethyl-but-2-ene tmeet  
1711 C6H12 3-methylenepentane c760214  
1712 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1713 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1714 C6H12 Cyclohexane cyclohexane  
1715 C6H12 Cyclopentane, methyl- c96377  
1716 C6H12 Ethylcyclobutane c4806615  
1717 C6H12 hex-1-ene hexene1  
1718 C6H14 Butane, 2,2-dimethyl- buta22  
1719 C6H14 Butane, 2,3-dimethyl- buta23  
1720 C6H14 Hexane hexane  
1721 C6H14 Pentane, 2-methyl- penta2  
1722 C6H14 Pentane, 3-methyl- penta3  
1723 C4N2 2-Butynedinitrile c4n2  
1724 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1725 C4H2N2 Fumaronitrile c4h2n2  
1726 C2H2N4 sym-tetrazine ttz  
1727 C3H3N3 1,3,5-Triazine triazine135  
1728 CH3N5 5-Aminotetrazole c4418615  
1729 C4H4N2 1,3-Diazine diazine13  
1730 C4H4N2 Pyrazine pyrazine  
1731 C4H4N2 Pyridazine pyridazine  
1732 C4H4N2 Succinonitrile c110612  
1733 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1734 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1735 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1736 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1737 C5H5N E-2,4-pentadienenitrile bdcn  
1738 C5H5N Pyridine pyridine  
1739 B3N3H6 borazine borazine  
1740 C6H6 Fulvene fulvene  
1741 C5H6N+ Pyridinium c5h6n  
1742 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1743 C5H7N (E)-2-Pentenenitrile c26294984  
1744 C5H7N (E)-3-Pentenenitrile c16529661  
1745 C5H7N (Z)-2-Pentenenitrile c25899507  
1746 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1747 C5H7N Cyclobutanecarbonitrile c4426113  
1748 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1749 C5H9N Butanenitrile, 2-methyl- c18936179  
1750 C5H9N Pentanenitrile c110598  
1751 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1752 C6H10 Bicyclo[3.1.0]hexane c285585  
1753 C5H11N Cyclopentanamine cypentam  
1754 C5H11N Piperidine piper  
1755 C4H12N2 1,2-Butanediamine c4426486  
1756 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1757 Li2CO3 Lithium Carbonate li2co3  
1758 Na2CO3 Sodium Carbonate na2co3  
1759 C2O4-- oxalate anion c2o4  
1760 MgSO4 Magnesium Sulfate mgso4  
1761 N2O4 Dinitrogen tetroxide n2o4  
1762 C3H2O3 vinylene carbonate vica  
1763 C2H2O4 Oxalic Acid oxalic  
1764 C2H3NO3 Oxamic acid oxamic  
1765 C4H4O2 2(5H)-Furanone furanone  
1766 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1767 C2H4N2O2 Oxalamide oxalamide  
1768 C2H4N2S2 Ethanedithioamide c79403  
1769 C2H4CO3 Ethylene carbonate etco3  
1770 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1771 C3H4S3 1,3-Dithiolane-2-thione c822388  
1772 C2H4O4 Formic acid dimer fadimer  
1773 C4H5NO 3-Methylisoxazole isox3m  
1774 C4H5NO Isoxazole, 5-methyl- c5765446  
1775 C4H5NS 4-Methylthiazole c693958  
1776 C2H5NO3 Nitric acid, ethyl ester c625581  
1777 C5H6O 2H-Pyran pyran2  
1778 C5H6O 2-methylfuran furan2m  
1779 C5H6O 3-Methylfuran furan3m  
1780 C5H6O Pentadienal pdal  
1781 C5H6S Thiophene, 2-methyl- c554143  
1782 C5H6S Thiophene, 3-methyl- c616444  
1783 C4H6O2 γ–Butyrolactone c96480  
1784 C4H6O2 2,3-Butanedione c431038  
1785 C4H6O2 2-Propenoic acid, methyl ester c96333  
1786 C4H6O2 Crotonic Acid crot  
1787 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1788 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1789 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1790 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1791 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1792 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1793 C4H6OS Vinyl sulfoxide c1115157  
1794 CH6N4S Carbonothioic dihydrazide thiacarb  
1795 C2H6N2O2 (E)-Azodioxymethane c37765154  
1796 C2H6N2O2 Dimethylnitroamine c4164287  
1797 C3H6O3 1,3,5-Trioxane trioxane  
1798 C3H6S3 1,3,5-Trithiane c3h6s3  
1799 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1800 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1801 C4H7NO 2-Pyrrolidinone c616455  
1802 C4H7NO Ethoxyacetonitrile etoaccn  
1803 C4H7NO Methacrylamide c79390  
1804 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1805 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1806 C3H7ONO Propyl nitrite prono  
1807 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1808 CH3CH(NH2)COOH Alanine alanine  
1809 CH3NHCH2COOH Sarcosine sarcosine  
1810 NH2CH2CH2COOH β–alanine betaalanine  
1811 NH2COOC2H5 Urethane urethane  
1812 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1813 C5H8O Cyclopentanone c120923  
1814 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1815 C5H8O Methyl cyclopropyl ketone c765435  
1816 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1817 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1818 NH2CONHC2H5 Urea, ethyl- c625525  
1819 C4H8O2 1,3-Dioxane dioxan13  
1820 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1821 C4H8O2 1,4-Dioxane dioxan14  
1822 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1823 C4H8O2 Ethyl acetate c141786  
1824 C4H8OS s-Ethyl thioacetate c625605  
1825 C3H8O3 1,2,3-Propanetriol glycerin  
1826 C3H8O2S (Methylsulfonyl)ethane c594434  
1827 C4H9NO Butanamide c541355  
1828 C4H9NO Propanamide, 2-methyl- c563837  
1829 C5H10O 2-Butanone, 3-methyl- c563804  
1830 C5H10O 2H-Pyran, tetrahydro- c142687  
1831 C5H10O 2-methylbutyraldehyde 2meba  
1832 C5H10O 2-Pentanone mpk  
1833 C5H10O 3-Pentanone dek  
1834 C5H10O Cyclopentanol c96413  
1835 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1836 C5H10O Pentanal pal  
1837 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1838 C5H10S 3-Ethylthio-1-propene c5296628  
1839 C5H10S Cyclopentanethiol c1679078  
1840 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1841 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1842 C4H10O2 1,1-Dimethoxyethane c534156  
1843 C4H10O2 1,3-Butanediol budiol13  
1844 C4H10O2 1,4-Butanediol budiol14  
1845 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1846 C4H10OS Diethyl sulfoxide c70291  
1847 C4H10S2 1,4-Butanedithiol budisl14  
1848 C4H11NO Diethylhydroxylamine c3710847  
1849 C5H12O 1-Butanol, 2-methyl- c137326  
1850 C5H12O 1-Butanol, 3-methyl- c123513  
1851 C5H12O 1-Pentanol pentanol1  
1852 C5H12O 2-Butanol, 3-methyl- c598754  
1853 C5H12O 2-Pentanol peol2  
1854 C5H12O 3-Pentanol pentan3ol  
1855 C5H12O Butane, 1-methoxy- meobu  
1856 C5H12O Propane, 1-ethoxy- proet  
1857 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1858 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1859 C5H12S 1-Butanethiol, 3-methyl- c541311  
1860 C5H12S 1-Pentanethiol c110667  
1861 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1862 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1863 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1864 C5H12S Butane, 1-(methylthio)- c628295  
1865 C5H12S Ethyl propyl sulfide c4110503  
1866 C5H12S Propane, 2-(ethylthio)- c5145993  
1867 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1868 C4F2 difluorobutadiyne c4f2  
1869 ClCOClCO Oxalyl chloride oxcl  
1870 CF3CN Acetonitrile, trifluoro- cf3cn  
1871 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1872 B2F4 Diboron tetrafluoride b2f4  
1873 B2Cl4 Diboron tetrachloride b2cl4  
1874 C2F4 Tetrafluoroethylene c2f4  
1875 C2F4+ Tetrafluoroethylene cation c2f4+  
1876 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1877 CF2CCl2 difluorodichloroethylene cf2ccl2  
1878 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1879 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1880 C2FCl3 fluorotrichloroethene c2fcl3  
1881 C2Cl4 Tetrachloroethylene c2cl4  
1882 C2Br4 tetrabromoethene c2br4  
1883 CF3OF Trifluoromethylhypofluorite cf3of  
1884 SOF4 Sulfur tetrafluoride oxide sof4  
1885 PF5 Phosphorus pentafluoride pf5  
1886 AsF5 Arsenic pentafluoride asf5  
1887 PCl5 Phosphorus pentachloride pcl5  
1888 SF5 Sulfur pentafluoride sf5  
1889 SF5+ pentafluoro sulfur cation sf5+  
1890 SbCl5 Antimony pentachloride sbcl5  
1891 BrF5 bromine pentafluoride brf5  
1892 ClF5 chlorinepentafluoride clf5  
1893 IF5 pentafluoroiodine if5  
1894 CF3CHO trifluoroacetaldehyde cf3cho  
1895 CCl3CHO trichloroacetaldehyde ccl3cho  
1896 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1897 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1898 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1899 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1900 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1901 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1902 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1903 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1904 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1905 CF3COOH trifluoroacetic acid cf3cooh  
1906 C4H3ClO Furan, 2-chloro fur2cl  
1907 C4H3ClO Furan,3-chloro fur3cl  
1908 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1909 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1910 C4H8Cl2 1,4-Dichlorobutane c110565  
1911 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1912 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1913 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1914 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1915 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1916 C5H11Cl Pentane, 1-chloro- pencl1  
1917 C4H8O2 Butanoic acid bua  
1918 C6H5CH2 benzyl radical benzyl  
1919 C7H7 cycloheptatrienyl radical c7h7  
1920 C7H7+ cycloheptatrienyl cation c7h7+  
1921 C6H5CH3 toluene toluene  
1922 C7H8 cycloheptatriene cht  
1923 C7H8 Norbornadiene norbor  
1924 C7H8 Quadricyclane qucy  
1925 C7H12 Norbornane nor  
1926 C7H14 cycloheptane c7h14  
1927 C7H16 2-methylhexane 2mhex  
1928 C7H16 3-methylhexane hex3m  
1929 C7H16 heptane heptane  
1930 CH(CN)3 tricyanomethane mecn3  
1931 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1932 C6H7N 2-Methylpyridine mp  
1933 C6H5NH2 aniline aniline  
1934 C6H13N 2-Methylpiperidine pip2m  
1935 C6H13N cyclohexanamine cham  
1936 C6H15N triethylamine tea  
1937 N2O5 Dinitrogen pentoxide n2o5  
1938 C4H2O3 Maleic Anhydride malan  
1939 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1940 C5H4O2 furfural furfural  
1941 C6H5O phenoxy radical phenoxy  
1942 C5H5NO 2(1H)-Pyridinone c72762006  
1943 C5H5NO 2(3H)-Pyridinone c9000048  
1944 C5H5NO 2(5H)-Pyridinone c9000037  
1945 C5H5NO 2-Pyridinol c109104  
1946 C5H5NO 3(2H)-Pyridinone c9000004  
1947 C5H5NO 3(4H)-Pyridinone c9000026  
1948 C5H5NO 3(6H)-Pyridinone c9000015  
1949 C5H5NO 3-Pyridinol c109002  
1950 C5H5NO 4(1H)-Pryidinone c9000060  
1951 C5H5NO 4(3H)-Pryidinone c9000059  
1952 C5H5NO 4-Pyridinol c626642  
1953 C6H5OH phenol phenol  
1954 C6H6O 2,4-Cyclohexadienone c24599573  
1955 C6H6O 2,5-Cyclohexadienone c5664335  
1956 C6H5SH Benzenethiol phsh  
1957 HO2CCHNH2CH2OH Serine serine  
1958 C5H8O2 Acetylacetone acac  
1959 C4H8O2S Sulfolane sulfolane  
1960 C7H10 Norbornene norbornene  
1961 CH(C2H3)3 trivinyl methane tvm  
1962 C6H10O cyclohexanone chexo  
1963 C6H12O hexanal c6h12o  
1964 C6H12O Oxepane oxepane  
1965 C3H7OC3H7 di-n-propyl ether propr  
1966 F2CCCF2 tetrafluoroallene pfa  
1967 CF3COO- trifluoro acetate anion cf3coo-  
1968 CF3COF trifluoroacetyl fluoride cf3cof  
1969 CF3COCl trifluoroacetyl chloride cf3cocl  
1970 PF6 Hexafluorophosphate neutral pf6  
1971 PF6- Hexafluorophosphate ion pf6-  
1972 SF6 Sulfur Hexafluoride sf6  
1973 SeF6 Selenium hexafluoride sef6  
1974 SF5Cl sulfur chloropentafluoride sf5cl  
1975 CF3CHF2 pentafluoroethane cf3chf2  
1976 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1977 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1978 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1979 CCl3CHCl2 pentachloroethane ccl3chcl2  
1980 C6H5F Fluorobenzene bzf  
1981 C6H5Cl chlorobenzene bzcl  
1982 C6H5Br bromobenzene bzbr  
1983 C8H6 Calicene calicene  
1984 C6H5CCH phenylacetylene phac  
1985 C8H6 benzocyclobutadiene bcbd  
1986 C8H6 Pentalene pentalene  
1987 C6H5CHCH2 Styrene styrene  
1988 C8H8 cubane cubane  
1989 C8H8 cyclooctatetraene cot  
1990 C6H5CH2CH3 Ethylbenzene etbz  
1991 CH3C6H4CH3 meta-xylene mxylene  
1992 CH3C6H4CH3 paraxylene pxylene  
1993 C8H14 Bicyclo[2.2.2]octane bico222  
1994 C8H16 cyclooctane cyclooct  
1995 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1996 C8H18 Octane c8h18  
1997 C6H5CN phenyl cyanide phcn  
1998 C6H12N2 Triethylenediamine ted  
1999 C4O4-- squarate dianion c4o4--  
2000 S4N4 Tetrasulfur tetranitride s4n4  
2001 S8 Octasulfur s8  
2002 C6H4O2 parabenzoquinone pbq  
2003 C4H4N2O2 Uracil uracil  
2004 C6H5CHO benzaldehyde benzal  
2005 C6H5OCH3 Anisole anisole  
2006 C5H9NO2 Proline proline  
2007 C6H12O2 Methyl pivalate c598981  
2008 C6H12O2 Hexanoic acid hexa  
2009 C4F4 tetrafluorcyclobutadiene c4f4  
2010 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2011 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2012 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2013 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2014 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2015 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2016 C2F6 hexafluoroethane c2f6  
2017 C2Cl6 hexachloroethane c2cl6  
2018 IF7 Iodine heptafluoride if7  
2019 C6H4F2 metadifluorobenzene mdfb  
2020 C6H4F2 orthodifluorobenzene odfb  
2021 C6H4F2 1,4-difluorobenzene pdfb  
2022 C6H4Cl2 1,2-dichlorobenzene dcb12  
2023 C6H4Cl2 1,3-dichlorobenzene dcb13  
2024 C6H4Cl2 1,4-dichlorobenzene dcb14  
2025 C6H5NO nitrosobenzene bzno  
2026 C9H8 Indene indene  
2027 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2028 C9H12 n-propyl benzene prbz  
2029 C9H20 Nonane nonane  
2030 C(CN)4 tetracyanomethane c5n4  
2031 C5H4N4 purine purine  
2032 C8H7N Indole indole  
2033 C3H3N3O3 cyanuric acid cyanuric  
2034 C6H5NO2 Nitrobenzene c6h5no2  
2035 C6H5COOH benzoic acid benzo  
2036 CH3COC6H5 acetophenone acph  
2037 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2038 C3F6 hexafluoropropene c3f6  
2039 C6H3F3 Benzene trifluoride 123 bzf3a  
2040 C8H18O 1-Octanol octanol  
2041 C10H8 Azulene azu  
2042 C10H8 naphthalene naph  
2043 C10H10 bullvalene bullv  
2044 C10H16 adamantane adamantane  
2045 C6N4 Tetracyanoethylene tcne  
2046 C6N4- tetracyanoethylene anion tcne-  
2047 C10H22 Decane decane  
2048 C4F6 perfluorobutadiene c4f6  
2049 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2050 C3F8 perfluoropropane c3f8  
2051 Fe(CO)5 Iron pentacarbonyl ipc  
2052 Fe(C5H5)2 ferrocene fecp2  
2053 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2054 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2055 C12H8 Acenaphthylene acenaph  
2056 C12H8 biphenylene biph  
2057 C12H10 biphenyl biphenyl  
2058 C12H10 Heptalene heptalene  
2059 C6H12O6 Inositol inositol  
2060 C6F6 hexafluorobenzene c6f6  
2061 S2F10 disulphur decafluoride s2f10  
2062 C13H10 Fluorene fluorene  
2063 C14H10 Anthracene anth  
2064 C14H10 Phenanthrene phenanthrene  
2065 C14H14 Bibenzyl bibenzyl  
2066 C12H10N2 azobenzene azobenzene  
2067 C6H5COC6H5 benzophenone benzophenone  
2068 C16H10 Pyrene pyrene  
2069 C18H12 Tetracene tetracene  
2070 C19H16 Triphenylmethane tpm  
2071 C24H12 Coronene coronene  
2072 C60 Buckminsterfullerene c60