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 QCISD(TQ)=FULL /Def2TZVPP

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count Species Name State Conformation
1 He Helium atom 1SKh
2 He Helium atom   
3 KH Potassium hydride 1ΣC∞v
4 MgH magnesium monohydride 2ΣC∞v
5 BeH2+ Beryllium dihydride cation   
6 Al- Aluminum atom anion 3PKh
7 BH3+ boron trihydride cation 2B2C2v
8 BH3+ boron trihydride cation  C2v
9 C Carbon atom 3P0Kh
10 Si- Silicon atom anion 4SKh
11 CH2- methylene anion 2B1C2v
12 GeH2 germylene 1A1C2v
13 SiH3+ Silyl cation 1A1'D3h
14 SiH5+ Silane, protonated   
15 N Nitrogen atom 4SKh
16 P Phosphorus atom 4SKh
17 As Arsenic atomic 4SKh
18 As- Arsenic anion 3PKh
19 As+ Arsenic cation 3PKh
20 PH phosphorus monohydride 3Σ-C∞v
21 NH2 Amino radical 2B1C2v
22 NH2+ Amino cation 1A1C2v
23 PH3 Phosphine 1A1C3v
24 PH3+ Phosphine cation 2A1C3v
25 PH4 Phosphoranyl radical   
26 OH Hydroxyl radical 2ΠC∞v
27 OH+ hydoxyl cation 3ΣC∞v
28 HS- mercapto anion 1ΣC∞v
29 HS+ sulfur monohydride cation 3ΣC∞v
30 H2O Water 1A1C2v
31 H2O- water anion 2A1C2v
32 H2O- water anion 2A'Cs
33 H2O+ water cation 2B1C2v
34 HDO Water-d1 1A1C2v
35 Cl Chlorine atom 2PKh
36 HCl+ hydrogen chloride cation 2ΠC∞v
37 HBr hydrogen bromide 1ΣC∞v
38 H2Cl+ dihydrogen monochloride cation 1A1C2v
39 Ne Neon atom   
40 Kr Krypton atom 1SKh
41 Kr+ Krypton cation 2PKh
42 Xe Xenon atom 1SKh
43 ArH+ Argon hydride cation 1ΣC∞v
44 KrH+ Protonated Krypton 1ΣC∞v
45 HBBH Diborane(2) 3ΣGD∞h
46 B2H6 Diborane 1AgD2h
47 B2H6+ Diborane cation   
48 CaC Calcium monocarbide   
49 SiGe Silicon Germanium   
50 C2H2+ acetylene cation 2ΠuD∞h
51 H2CC- vinylidene anion   
52 C2H3 vinyl 2A'Cs
53 C2H5 Ethyl radical 2A'Cs
54 Si2H6 disilane 1EuD3d
55 LiP Lithium monophosphide   
56 LiP Lithium monophosphide   
57 MgN Magnesium Nitride   
58 CN Cyano radical 2ΣC∞v
59 SiP Silicon monophosphide 2ΠC∞v
60 HCN Hydrogen cyanide 1ΣC∞v
61 HCN+ hydrogen cyanide cation 2ΠC∞v
62 HNC+ hydrogen isocyanide cation   
63 NNH+ Dinitrogen monohydride cation 1ΣC∞v
64 CH2NH+ Methanimine cation   
65 N2H7+ ammonia ammonium dimer   
66 CaS Calcium sulfide 1ΣC∞v
67 BO boron monoxide 2ΣC∞v
68 CO+ carbon monoxide cation 2ΣC∞v
69 SiSe Silicon Monoselenide   
70 SiSe+ Silicon Monoselenide cation   
71 NO Nitric oxide 2ΠC∞v
72 NO- nitric oxide anion 3ΣC∞v
73 NO+ nitric oxide cation 1ΣC∞v
74 SO+ sulfur monoxide cation 2ΠC∞v
75 S2 Sulfur diatomic 3ΣgD∞h
76 LiOH lithium hydroxide 1ΣC∞v
77 HBO Boron hydride oxide 1ΣC∞v
78 COH Hydroxymethylidyne   
79 HCO- formyl anion 1A'Cs
80 HNO+ Nitrosyl hydride cation 2A'Cs
81 HSO+ Sulfur Monoxide, S-protonated   
82 H2CO- formaldehyde anion 2A'Cs
83 H2CO+ formaldehyde cation 2B2C2v
84 H2O2 Hydrogen peroxide 1AgC2h
85 NH2OH hydroxylamine 1A'Cs
86 NH2OH+ Hydroxylamine cation   
87 CF Fluoromethylidyne 2ΠC∞v
88 NCl nitrogen monochloride 3ΣC∞v
89 F2+ flourine diatomic cation 2ΠgD∞h
90 ClF Chlorine monofluoride 1Σ+C∞v
91 Cl2+ chlorine diatomic cation 2ΠgD∞h
92 HCF Fluoromethylene 1A'Cs
93 HCF Fluoromethylene 3A"Cs
94 CH2F fluoromethyl radical 2ACs
95 CH3Cl Methyl chloride 1A1C3v
96 LiNe+ Lithium Neon cation   
97 C3 carbon trimer 1A1C2v
98 NCO isocyanato radical 2ΠC∞v
99 OCS Carbonyl sulfide 1ΣC∞v
100 S3 Sulfur trimer 1A1C2v
101 Be(OH)2 Beryllium hydroxide   
102 ICN Cyanogen iodide 1ΣC∞v
103 INO Nitrosyl iodide 1A'Cs
104 CF2 Difluoromethylene 1A1D∞h
105 OClO- Chlorine dioxide anion 1A'Cs

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 h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He- Helium atom anion he-  
14 He+ Helium atom cation he+  
15 HeH Helium hydride heh  
16 HeH+ Helium hydride cation heh+  
17 He2+ helium diatomic cation he2+  
18 Li Lithium atom li  
19 Li- Lithium atom anion li-  
20 Li+ Lithium atom cation li+  
21 Na Sodium atom na  
22 Na- Sodium atom anion na-  
23 Na+ Sodium atom cation na+  
24 K Potassium atom k  
25 K- Potassium atom anion k-  
26 K+ Potassium atom cation k+  
27 Cu Copper atom cu  
28 Cu- Copper atom anion cu-  
29 Cu+ Copper atom cation cu+  
30 LiH Lithium Hydride lih  
31 LiH- lithium hydride anion lih-  
32 LiH+ lithium hydride cation lih+  
33 NaH sodium hydride nah  
34 NaH- sodium hydride anion nah-  
35 NaH+ sodium hydride cation nah+  
36 KH+ Potassium hydrogen cation kh+  
37 CuH Copper monohydride cuh  
38 Be Beryllium atom be  
39 Be- Beryllium atom anion be-  
40 Be+ Beryllium atom cation be+  
41 Mg Magnesium atom mg  
42 Mg- Magnesium atom anion mg-  
43 Mg+ Magnesium atom cation mg+  
44 Ca Calcium atom ca  
45 Ca- Calcium atom anion ca-  
46 Ca+ Calcium atom cation ca+  
47 Zn Zinc atom zn  
48 Zn- Zinc atom anion zn-  
49 Zn+ Zinc atom cation zn+  
50 BeH beryllium monohydride beh  
51 BeH- berylium monohydride anion beh-  
52 BeH+ beryllium monohydride cation beh+  
53 MgH- magnesium monohydride anion mgh-  
54 MgH+ magnesium monohydride cation mgh+  
55 CaH Calcium monohydride cah  
56 CaH+ Calcium monohydride cation cah+  
57 TiH Titanium monohydride tih  
58 ZnH Zinc monohydride znh  
59 ZnH+ Zinc, protonated znh+  
60 BeH2 beryllium dihydride beh2  
61 MgH2 magnesium dihydride mgh2  
62 CaH2 Calcium Hydride cah2  
63 ZnH2 Zinc hydride znh2  
64 B Boron atom b  
65 B- Boron atom anion b-  
66 B+ Boron atom cation b+  
67 Al Aluminum atom al  
68 Al+ Aluminum atom cation al+  
69 Sc Scandium atom sc  
70 Sc+ Scandium cation sc+  
71 Ga Gallium atom ga  
72 Ga- Gallium atom anion ga-  
73 Ga+ Gallium atom cation ga+  
74 BH Boron monohydride bh  
75 BH- boron monohydride anion bh-  
76 BH+ boron monohydride cation bh+  
77 AlH aluminum monohydride alh  
78 AlH- aluminum monohydride anion alh-  
79 AlH+ aluminum monohydride cation alh+  
80 ScH Scandium monohydride sch  
81 ScH+ Scandium monohydride cation sch+  
82 GaH Gallium monohydride gah  
83 GaH+ Gallium monohydride cation gah+  
84 BH2 boron dihydride bh2  
85 BH2- boron dihydride anion bh2-  
86 BH2+ Boron dihydride cation bh2+  
87 AlH2 aluminum dihydride alh2  
88 AlH2- aluminum dihydride anion alh2-  
89 AlH2+ aluminum dihydride cation alh2+  
90 BH3 boron trihydride bh3  
91 BH3- boron trihydride anion bh3-  
92 AlH3 aluminum trihydride alh3  
93 AlH3- aluminum trihydride anion alh3-  
94 AlH3+ aluminum trihydride cation alh3+  
95 ScH3 Scandium trihydride sch3  
96 GaH3 Gallium trihydride gah3  
97 BH4 borohydride bh4  
98 BH4- borohydride anion bh4-  
99 AlH4- Aluminum tetrahydride anion alh4-  
100 C- Carbon atom anion c-  
101 C+ Carbon atom cation c+  
102 Si Silicon atom si  
103 Si+ Silicon atom cation si+  
104 Ti Titanium atom ti  
105 Ti- Titanium atom anion ti-  
106 Ti+ Titanium atom cation ti+  
107 Ge Germanium atom ge  
108 Ge- Germanium anion ge-  
109 Ge+ Germanium cation ge+  
110 Sn Tin atom sn  
111 Sn+ Tin cation sn+  
112 CH Methylidyne ch  
113 CH- methylidyne anion ch-  
114 CH+ Methylidyne cation ch+  
115 SiH Silylidyne sih  
116 SiH- silicon monohydride anion sih-  
117 SiH+ silicon monohydride cation sih+  
118 GeH germylidene geh  
119 GeH+ Germaniun monohyrdide cation geh+  
120 CH2 Methylene ch2  
121 CH2+ methylene cation ch2+  
122 SiH2 silicon dihydride sih2  
123 SiH2- silicon dihydride anion sih2-  
124 SiH2+ silicon dihydride cation sih2+  
125 GeH2- germylene anion geh2-  
126 CH3 Methyl radical ch3  
127 CH3- methyl anion ch3-  
128 CH3+ methyl cation ch3+  
129 SiH3 Silyl radical sih3  
130 SiH3- Silyl anion sih3-  
131 GeH3 Germyl radical geh3  
132 GeH3+ germyl cation geh3+  
133 CD4 methane-d4 cd4  
134 CH2D2 methane-d2 ch2d2  
135 CH3D methane-d ch3d  
136 CH4 Methane ch4  
137 CH4- Methane anion ch4-  
138 CH4+ Methane cation ch4+  
139 CHD3 methane-d3 chd3  
140 SiH2D2 silane-d2 sih2d2  
141 SiH4 Silane sih4  
142 SiH4+ Silane cation sih4+  
143 GeH4 Germane geh4  
144 SnH4 Stannane snh4  
145 N- Nitrogen atom anion n-  
146 N+ Nitrogen atom cation n+  
147 P- Phosphorus atom anion p-  
148 P+ Phosphorus atom cation p+  
149 V Vanadium atom v  
150 V+ Vanadium atom cation v+  
151 Sb Antimony atom sb  
152 NH Imidogen nh  
153 NH- Imidogen anion nh-  
154 NH+ imidogen cation nh+  
155 PH- phosphorus monohydride anion ph-  
156 PH+ phosphorus monohydride cation ph+  
157 AsH Arsenic monohydride ash  
158 AsH+ Arsenic monohydride cation ash+  
159 SbH Antimony monohydride sbh  
160 ND2 Amidogen-d2 nd2  
161 NH2- amino anion nh2-  
162 NH2+ Amino cation nh2+  
163 PH2 Phosphino radical ph2  
164 PH2- Phosphino anion ph2-  
165 PH2+ Phosphino cation ph2+  
166 AsH2 Arsenic dihydride ash2  
167 AsH2+ Arsenic dihydride cation ash2+  
168 ND3 Ammonia-d3 nd3  
169 NH3 Ammonia nh3  
170 NH3- Ammonia anion nh3-  
171 NH3+ ammonia cation nh3+  
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+ phosphonium cation ph4+  
179 O Oxygen atom o  
180 O- Oxygen atom anion o-  
181 O+ Oxygen atom cation o+  
182 S Sulfur atom s  
183 S- Sulfur atom anion s-  
184 S+ Sulfur atom cation s+  
185 Cr Chromium atom cr  
186 Se Selenium atom se  
187 Se- Selenium atom anion se-  
188 Se+ Selenium atom cation se+  
189 Te Tellurium atom te  
190 Te+ Tellurium atom cation te+  
191 DO Hydroxyl-d od  
192 OH- hydroxide anion oh-  
193 DS Mercapto-d ds  
194 HS Mercapto radical hs  
195 CrH+ Chromium hydride cation crh+  
196 HSe Selenium monohydride hse  
197 HSe- selenium monohydride anion hse-  
198 HSe+ selenium monohydride cation hse+  
199 TeH Telluryl radical teh  
200 D2O Deuterium oxide d2o  
201 D2S Hydrogen sulfide-d2 d2s  
202 H2S Hydrogen sulfide h2s  
203 H2S- Hydrogen sulfide anion h2s-  
204 H2S+ Hydrogen sulfide cation h2s+  
205 H2Se Hydrogen selenide h2se  
206 H2Se+ Hydrogen selenide cation h2se+  
207 H2Te Hydrogen Telluride h2te  
208 H3O+ hydronium cation h3o+  
209 H3S+ Sulfonium cation h3s+  
210 H3Se+ Hydrogen Selenide, protonated h3se+  
211 F Fluorine atom f  
212 F- Fluorine atom anion f-  
213 F+ Fluorine atom cation f+  
214 Cl- Chlorine atom anion cl-  
215 Cl+ Chlorine atom cation cl+  
216 Mn Manganese atom mn  
217 Br Bromine atom br  
218 Br- Bromine atom anion br-  
219 Br+ Bromine atom cation br+  
220 I Iodine atom iodine  
221 I- Iodine atom anion iodine-  
222 I+ Iodine atom cation iodine+  
223 DF Hydrofluoric acid-d df  
224 HF Hydrogen fluoride hf  
225 HF- hydrogen fluoride anion hf-  
226 HF+ hydrogen fluoride cation hf+  
227 DCl Hydrochloric acid-d dcl  
228 HCl Hydrogen chloride hcl  
229 HCl- hydrogen chloride anion hcl-  
230 HBr- hydrogen bromide anion hbr-  
231 HBr+ hydrogen bromide cation hbr+  
232 HI Hydrogen iodide hi  
233 HI+ Hydrogen iodide cation hi+  
234 H2F+ dihydrogen fluoride cation h2f+  
235 H2Br+ protonated hydrogen bromide h2br+  
236 H2I+ Iodonium h2i+  
237 Ne Neon atom ne  
238 Ne- Neon atom anion ne-  
239 Ne+ Neon atom cation ne+  
240 Ar Argon atom ar  
241 Ar- Argon atom anion ar-  
242 Ar+ Argon atom cation ar+  
243 Fe Iron atom fe  
244 HeLi+ Helium Lithium cation heli+  
245 NeH neon hydrogen neh  
246 NeH+ neon hydrogen cation neh+  
247 XeH+ Xenon, protonated xeh+  
248 H2Ar H2 Ar dimer h2ar  
249 Co Cobalt atom cobalt  
250 Ni Nickel atom ni  
251 Li2 Lithium diatomic li2  
252 Li2- lithium diatomic anion li2-  
253 Li2+ lithium diatomic cation li2+  
254 NaLi lithium sodium lina  
255 NaLi- lithium sodium anion lina-  
256 NaLi+ lithium sodium cation lina+  
257 LiK Lithium Potassium lik  
258 Na2 Sodium diatomic na2  
259 Na2- sodium diatomic anion na2-  
260 Na2+ sodium diatomic cation na2+  
261 NaK Sodium Potassium nak  
262 NaK+ Sodium Potassium diatomic cation nak+  
263 K2 Potassium diatomic k2  
264 Cu2 Copper diatomic cu2  
265 LiBe Lithium Beryllium libe  
266 LiMg Lithium magnesium limg  
267 NaBe Sodium Beryllium nabe  
268 NaMg Sodium Magnesium namg  
269 Be2 Beryllium diatomic be2  
270 Be2- Beryllium diatomic anion be2-  
271 Be2+ Beryllium diatomic cation be2+  
272 BeMg Beryllium Magnesium bemg  
273 Mg2 Magnesium diatomic mg2  
274 Mg2- magnesium diatomic anion mg2-  
275 Mg2+ magnesium diatomic cation mg2+  
276 Ca2 Calcium diatomic ca2  
277 LiB Lithium boride lib  
278 LiAl Lithium Aluminum lial  
279 NaAl Sodium aluminum naal  
280 BeB Beryllium monoboride beb  
281 B2 Boron diatomic b2  
282 B2- Boron diatomic anion b2-  
283 B2+ Boron diatomic cation b2+  
284 BAl Boron Aluminum bal  
285 Al2 Aluminum diatomic al2  
286 Al2- aluminum diatomic anion al2-  
287 Al2+ aluminum diatomic cation al2+  
288 BGa Boron Gallium bga  
289 AlGa Aluminum Gallium alga  
290 Ga2 Gallium diatomic ga2  
291 LiBH4 Lithium borohydride libh4  
292 B2H4 Diborane(4) D2d b2h4  
293 HBHHBH Diborane(4) C2V hbhhbh  
294 Al2H6 dialane al2h6  
295 Ga2H6 digallane ga2h6  
296 LiC Lithium Carbide lic  
297 BeC Beryllium Carbide bec  
298 BC boron monocarbide bc  
299 BC- boron monocarbide anion bc-  
300 BC+ boron monocarbide cation bc+  
301 AlC Aluminum carbide alc  
302 BSi Boron silicide bsi  
303 C2 Carbon diatomic c2  
304 C2- carbon diatomic anion c2-  
305 C2+ carbon diatomic cation c2+  
306 SiC silicon monocarbide sic  
307 SiC- silicon monocarbide anion sic-  
308 SiC+ silicon monocarbide cation sic+  
309 Si2 Silicon diatomic si2  
310 Si2- silcon diatomic anion si2-  
311 Si2+ silcon diatomic cation si2+  
312 GeC Germanium monocarbide gec  
313 Ge2 Germanium diatomic ge2  
314 C2H Ethynyl radical c2h  
315 C2H- Ethynyl anion c2h-  
316 C2H+ Ethynyl cation c2h+  
317 ZnCH2 Zinc methylene znch2  
318 C2H2 Acetylene c2h2  
319 CCH2 vinylidene vinylidene  
320 HCCH- acetylene anion c2h2-  
321 Si2H2 disilyne si2h2  
322 CH3Li methyl lithium ch3li  
323 CuCH3 monomethyl copper cuch3  
324 ZnCH3 Zinc monomethyl znch3  
325 CH2BH methyleneborane ch2bh  
326 C2H3- vinyl anion c2h3-  
327 C2H3+ vinyl cation c2h3+  
328 C2H4 Ethylene c2h4  
329 C2H4- Ethylene anion c2h4-  
330 C2H4+ Ethylene cation c2h4+  
331 CH3CH methylmethylene ch3ch  
332 CH2SiH2 silaethylene ch2sih2  
333 Si2H4 Disilene si2h4  
334 CH3BH2 methylborane ch3bh2  
335 C2H5- Ethyl anion c2h5-  
336 C2H5+ Ethyl cation c2h5+  
337 C2H6 Ethane c2h6  
338 C2H6+ ethane cation c2h6+  
339 CH3SiH3 methyl silane ch3sih3  
340 GeH3CH3 methyl germane geh3ch3  
341 C2H7+ Ethane, protonated c2h7+  
342 LiN Lithium Nitride lin  
343 LiN+ Lithium Nitride cation lin+  
344 BeN Beryllium mononitride ben  
345 BeN- Beryllium mononitride anion ben-  
346 BeN+ Beryllium mononitride cation ben+  
347 BN- boron nitride anion bn-  
348 AlN- aluminum mononitride anion aln-  
349 AlN+ aluminum mononitride cation aln+  
350 BP Boron monophosphide bp  
351 AlP Aluminum monophosphide alp  
352 GaN Gallium mononitride gan  
353 GaP Gallium monophosphide gap  
354 GaAs Gallium arsenide gaas  
355 BN boron nitride bn  
356 BN+ boron nitride cation bn+  
357 AlN Aluminum nitride aln  
358 CN- cyanide anion cn-  
359 CN+ Cyano cation cn+  
360 CP Carbon monophosphide cp  
361 CP- carbon monophosphide anion cp-  
362 CP+ carbon monophosphide cation cp+  
363 SiN Silicon nitride sin  
364 SiN- silicon mononitride anion sin-  
365 SiN+ silicon mononitride cation sin+  
366 SiP- Silicon monophosphide anion sip-  
367 SiP+ Silicon monophosphide cation sip+  
368 TiN Titanium mononitride tin  
369 N2 Nitrogen diatomic n2  
370 N2- nitrogen diatomic anion n2-  
371 N2+ diatomic nitrogen cation n2+  
372 PN Phosphorus mononitride pn  
373 PN- phosphorus nitride anion pn-  
374 PN+ phosphorus nitride cation pn+  
375 P2 Phosphorus diatomic p2  
376 P2- phosphorus diatomic anion p2-  
377 P2+ phosphorus diatomic cation p2+  
378 AsN Arsenic mononitride asn  
379 AsP Arsenic monophosphide asp  
380 SbN Antimony nitride sbn  
381 As2 Arsenic diatomic as2  
382 HNB hydrogen nitrogen boron hnb  
383 HNC hydrogen isocyanide hnc  
384 HCN- Hydrogen cyanide anion hcn-  
385 HCP Phosphaethyne hcp  
386 HCP+ Phosphaethyne cation hcp+  
387 NNH Dinitrogen monohydride nnh  
388 HPO Hydrogen phosphorus oxide hpo  
389 HPO+ Hydrogen phosphorus oxide cation hpo+  
390 LiNH2 lithium amide linh2  
391 HBNH Boranimine hbnh  
392 CNH2 Aminomethylidyne radical cnh2  
393 CNH2+ N-protonated hydrogen isocyanide cnh2+  
394 H2CN Dihydrogen cyanide radical h2cn  
395 H2CN+ hydrocyanonium cation h2cn+  
396 HCNH methyleneazane hcnh  
397 HCNH+ N-protonated HCN hcnh+  
398 H2NN Isodiazene h2nn  
399 N2H2 (E)-diazene n2h2  
400 N2H2 (Z)-Diazene n2h2z  
401 N2H2+ trans-diazene cation n2h2+  
402 CH2NH Methanimine ch3n  
403 CHNH2 aminomethylene chnh2  
404 CHNH2+ Aminocarbene cation chnh2+  
405 CH2PH Phosphaethene ch3p  
406 BH2NH2 Boranamine bh2nh2  
407 CH2NH2+ methyleneamine cation ch2nh2+  
408 N2H4 Hydrazine n2h4  
409 N2H4+ hydrazine cation n2h4+  
410 P2H4 Diphosphine p2h4  
411 CH3NH2 methyl amine ch3nh2  
412 CH3NH2+ methyl amine cation ch3nh2+  
413 CH3PH2 Methyl phosphine ch3ph2  
414 SiH3NH2 Silane, amino sih3nh2  
415 N2H5+ protonated hydrazine n2h5+  
416 BH3PH3 borane phosphine bh3ph3  
417 BH3NH3 borane ammonia bh3nh3  
418 CH3NH3 methyl ammonium radical ch3nh3  
419 CH3NH3+ protonated methylamine ch3nh3+  
420 CH3PH3+ methyl phosphine, protonated ch3ph3+  
421 NH3NH3 Ammonia Dimer nh3nh3  
422 LiO lithium oxide lio  
423 LiO- lithium oxide anion lio-  
424 LiO+ lithium oxide cation lio+  
425 LiS Lithium monosulfide lis  
426 LiS+ Lithium sulfide cation lis+  
427 NaO sodium monoxide nao  
428 NaO- sodium oxide anion nao-  
429 NaO+ sodium oxide cation nao+  
430 KO Potassium monoxide ko  
431 KO+ Potassium monoxide cation ko+  
432 NaS Sodium sulfide nas  
433 CuO Copper Monoxide cuo  
434 LiSe Lithium monoselenide lise  
435 BeO beryllium oxide beo  
436 BeO- Beryllium monoxide anion beo-  
437 BeO+ Beryllium monoxide cation beo+  
438 BeS beryllium sulfide bes  
439 MgO magnesium oxide mgo  
440 MgO- magnesium oxide anion mgo-  
441 MgO+ magnesium oxide cation mgo+  
442 CaO Calcium monoxide cao  
443 MgS magnesium sulfide mgs  
444 MgS- magnesium sulfide anion mgs-  
445 MgS+ magnesium sulfide cation mgs+  
446 ZnO zinc monoxide zno  
447 ZnS Zinc sulfide zns  
448 BeS- Beryllium monosulfide anion bes-  
449 BeS+ Beryllium monosulfide cation bes+  
450 BO- boron monoxide anion bo-  
451 AlO Aluminum monoxide alo  
452 AlO- Aluminum monoxide anion alo-  
453 AlO+ aluminum monoxide cation alo+  
454 BS boron sulfide bs  
455 BS- boron monosulfide anion bs-  
456 BS+ boron monosulfide cation bs+  
457 AlS Aluminum sulfide als  
458 AlS- aluminum monosulfide anion als-  
459 AlS+ aluminum monosulfide cation als+  
460 ScO Scandium monoxide sco  
461 GaO Gallium monoxide gao  
462 GaS Gallium monosulfide gas  
463 BO+ boron monoxide cation bo+  
464 CO Carbon monoxide co  
465 CO- carbon monoxide anion co-  
466 CS carbon monosulfide cs  
467 CS- carbon monosulfide anion cs-  
468 CS+ carbon monosulfide cation cs+  
469 SiO Silicon monoxide sio  
470 SiO- silicon monoxide anion sio-  
471 SiO+ silicon monoxide cation sio+  
472 SiS silicon monosulfide sis  
473 SiS- silicon monosulfide anion sis-  
474 SiS+ silicon monosulfide cation sis+  
475 TiO Titanium monoxide tio  
476 CSe Carbon monoselenide cse  
477 CSe- Carbon monoselenide anion cse-  
478 CSe+ Carbon monoselenide cation cse+  
479 GeO Germanium monoxide geo  
480 GeO+ Germanium monoxide cation geo+  
481 GeS Germanium monosulfide ges  
482 GeSe Germanium monoselenide gese  
483 NS Mononitrogen monosulfide ns  
484 NS- nitrogen sulfide anion ns-  
485 NS+ nitrogen sulfide cation ns+  
486 PO Phosphorus monoxide po  
487 PO- phosphorus monoxide anion po-  
488 PO+ phosphorus monoxide cation po+  
489 PS phosphorus sulfide ps  
490 PS- phosphorus monosulfide anion ps-  
491 PS+ phosphorus monosulfide cation ps+  
492 VO Vanadium monoxide vo  
493 AsO Arsenic monoxide aso  
494 NSe Nitrogen monoselenide nse  
495 AsS Arsenic monosulfide ass  
496 PSe Phosphorus monoselenide pse  
497 AsSe Arsenic monoselenide asse  
498 O2 Oxygen diatomic o2  
499 O2- oxygen diatomic anion o2-  
500 O2-- dioxygen dianion o2--  
501 O2+ diatomic oxygen cation o2+  
502 SO Sulfur monoxide so  
503 SO- sulfur monoxide anion so-  
504 S2- sulfur diatomic anion s2-  
505 S2+ sulfur diatomic cation s2+  
506 SeO Selenium monoxide seo  
507 SeO- selenium monoxide anion seo-  
508 SeO+ selenium monoxide cation seo+  
509 SeS Selenium monosulfide ses  
510 SeS- selenium monosulfide anion ses-  
511 SeS+ selenium monosulfide cation ses+  
512 TeO Tellurium monoxide teo  
513 Se2 Selenium diatomic se2  
514 Se2- selenium diatomic anion se2-  
515 Se2+ selenium diatomic cation se2+  
516 Te2 Tellurium diatomic te2  
517 NaOH sodium hydroxide naoh  
518 KOH Potassium hydroxide koh  
519 BeOH beryllium monohydroxide beoh  
520 MgOH magnesium hydroxide mgoh  
521 CaOH Calcium monohydroxide caoh  
522 HBS hydrogen boron sulfide hbs  
523 COH+ Carbon Monoxide, protonated coh+  
524 HCO Formyl radical hco  
525 HCO+ Formyl cation hco+  
526 HCS Thioformyl radical hcs  
527 HCS- Thioformyl anion hcs-  
528 HCS+ Thioformyl cation hcs+  
529 HNO Nitrosyl hydride hno  
530 HNO- Nitrosyl hydride anion hno-  
531 NOH Hydroxyimidogen noh  
532 NOH+ O-protonated nitric oxide noh+  
533 HNS Sulfur imide hns  
534 HNS- Sulfur imide anion hns-  
535 HO2 Hydroperoxy radical ho2  
536 HO2- Hydroperoxy anion ho2-  
537 HO2+ Hydroperoxy cation ho2+  
538 SOH Sulfur Hydroxide soh  
539 SOH+ Sulfur Monoxide, protonated soh+  
540 HS2 Thiosulfeno radical hs2  
541 H2CO Formaldehyde h2co  
542 HOCH hydroxycarbene hoch  
543 H2CS Thioformaldehyde h2cs  
544 H2CS- thioformaldehyde anion h2cs-  
545 H2CS+ thioformaldehyde cation h2cs+  
546 H2CSe Selenoformaldehyde h2cse  
547 H2NO nitroxide h2no  
548 H2O2+ Hydrogen peroxide cation h2o2+  
549 H2OO water oxide h2oo  
550 HOSH hydrogen thioperoxide hosh  
551 H2S2 Disulfane h2s2  
552 H2S2+ hydrogen disulfide cation h2s2+  
553 H2Se2 hydrogen diselenide h2se2  
554 CH2OH Hydroxymethyl radical ch2oh  
555 CH2OH+ hydroxymethyl cation ch2oh+  
556 CH3O Methoxy radical ch3o  
557 CH3O- methoxy anion ch3o-  
558 CH3O+ Methoxy cation ch3o+  
559 CH3S thiomethoxy ch3s  
560 H2CSH+ Thioformaldehyde, protonated h2csh+  
561 NH3O Ammonia Oxide nh3o  
562 H2POH Phosphinous acid h2poh  
563 H3PO Phosphine oxide h3po  
564 NH2SH Thiohydroxylamine nh2sh  
565 NH3S sulfidoazane nh3s  
566 H3O2+ hydrogen peroxide, protonated h3o2+  
567 CH3OH Methyl alcohol ch3oh  
568 CH3OH- Methyl alcohol anion ch3oh-  
569 CH3OH+ Methyl alcohol cation ch3oh+  
570 CH3SH Methanethiol ch3sh  
571 CH3SH+ Methanethiol cation ch3sh+  
572 SiH3OH silanol sih3oh  
573 CH3SeH Methane selenol ch3seh  
574 NH2OH2+ protonated hydroxylamine nh2oh2+  
575 NH3OH+ N-protonated hydroxylamine nh3oh+  
576 H2OH2O water dimer h2oh2o  
577 CH3OH2+ Methanol, protonated ch3oh2+  
578 CH3SH2+ protonated methylsulfide ch3sh2+  
579 H2ONH3 Water Ammonia Dimer h2onh3  
580 H5O2+ Dihydroxonium ion h5o2+  
581 LiF lithium fluoride lif  
582 LiCl lithium chloride licl  
583 LiCl- lithium chloride anion licl-  
584 LiCl+ lithium chloride cation licl+  
585 NaF sodium fluoride naf  
586 NaF- sodium fluoride anion naf-  
587 NaF+ sodium fluoride cation naf+  
588 KF Potassium Fluoride kf  
589 NaCl Sodium Chloride nacl  
590 NaCl- sodium chloride anion nacl-  
591 NaCl+ sodium chloride cation nacl+  
592 KCl Potassium Chloride kcl  
593 CuF Copper monofluoride cuf  
594 LiBr Lithium Bromide libr  
595 LiBr- lithium bromide anion libr-  
596 LiBr+ lithium bromide cation libr+  
597 CuCl Copper monochloride cucl  
598 NaBr Sodium Bromide nabr  
599 NaBr- sodium bromide anion nabr-  
600 NaBr+ sodium bromide cation nabr+  
601 KBr Potassium Bromide kbr  
602 LiI Lithium Iodide lii  
603 NaI Sodium Iodide nai  
604 KI Potassium Iodide ki  
605 LiF- lithium fluoride anion lif-  
606 LiF+ lithium fluoride cation lif+  
607 BeF Beryllium monofluoride bef  
608 BeF- Beryllium monofluoride anion bef-  
609 BeF+ Beryllium monofluoride cation bef+  
610 BeCl beryllium monochloride becl  
611 MgF Magnesium monofluoride mgf  
612 MgF- magnesium fluoride anion mgf-  
613 MgF+ magnesium fluoride cation mgf+  
614 CaF Calcium monofluoride caf  
615 MgCl magnesium monochloride mgcl  
616 MgCl- magnesium monochloride anion mgcl-  
617 MgCl+ magnesium monochloride cation mgcl+  
618 CaCl calcium monochloride cacl  
619 TiCl Titanium Monochloride ticl  
620 ZnF Zinc monofluoride znf  
621 ZnF- Zinc monofluoride anion znf-  
622 ZnF+ Zinc monofluoride cation znf+  
623 ZnCl Zinc monochloride zncl  
624 CaBr Calcium monobromide cabr  
625 BeCl- beryllium monochloride anion becl-  
626 BeCl+ beryllium monochloride cation becl+  
627 BF Boron monofluoride bf  
628 BF- Boron monofluoride anion bf-  
629 BF+ Boron monofluoride cation bf+  
630 AlF Aluminum monofluoride alf  
631 AlF- Aluminum monofluoride anion alf-  
632 AlF+ Aluminum monofluoride cation alf+  
633 BCl boron monochloride bcl  
634 BCl- boron monochloride anion bcl-  
635 BCl+ boron monochloride cation bcl+  
636 AlCl Aluminum monochloride alcl  
637 AlCl- aluminum monochloride anion alcl-  
638 AlCl+ aluminum monochloride cation alcl+  
639 ScF Scandium monofluoride scf  
640 BBr Boron monobromide bbr  
641 GaF Gallium monofluoride gaf  
642 GaF+ Gallium monofluoride cation gaf+  
643 AlBr Aluminum monobromide albr  
644 GaCl Gallium monochloride gacl  
645 GaCl+ Gallium monochloride cation gacl+  
646 AlI Aluminum monoiodide ali  
647 GaBr Gallium monobromide gabr  
648 CF- carbon monofluoride anion cf-  
649 CF+ carbon monofluoride cation cf+  
650 CCl carbon monochloride ccl  
651 CCl- carbon monochloride anion ccl-  
652 CCl+ carbon monochloride cation ccl+  
653 SiF silicon monofluoride sif  
654 SiF- silicon monofluoride anion sif-  
655 SiF+ silicon monofluoride cation sif+  
656 SiCl Clorosilylidyne sicl  
657 SiCl- silicon monochloride anion sicl-  
658 SiCl+ silicon monochloride cation sicl+  
659 CBr Carbon monobromide cbr  
660 GeF Germanium monofluoride gef  
661 GeF+ Germanium monofluoride cation gef+  
662 GeCl Germanium monochloride gecl  
663 GeCl+ Germanium monochloride cation gecl+  
664 SiBr Silicon monobromide sibr  
665 SiBr+ Silicon monobromide cation sibr+  
666 NF nitrogen fluoride nf  
667 NF- nitrogen monofluorine anion nf-  
668 NF+ nitrogen monofluoirde cation nf+  
669 NCl- nitrogen monochloride anion ncl-  
670 NCl+ nitrogen monochloride cation ncl+  
671 PF phosphorus monofluoride pf  
672 PF- phosphorus monofluoride anion pf-  
673 PF+ phosphorus monofluoride cation pf+  
674 PCl phosphorus chloride pcl  
675 PCl- phosphorus monochloride anion pcl-  
676 PCl+ phosphorus monochloride cation pcl+  
677 AsF Arsenic monofluoride asf  
678 NBr nitrogen monobromide nbr  
679 AsCl Arsenic monochloride ascl  
680 PBr Phosphorus monobromide pbr  
681 SbF Antimony monofluoride sbf  
682 SbCl Antimony monochloride sbcl  
683 FO Oxygen monofluoride fo  
684 FO- flourine oxide anion fo-  
685 FO+ fluorine monoxide cation fo+  
686 ClO Monochlorine monoxide clo  
687 ClO- chlorine monoxide anion clo-  
688 ClO+ chlorine monoxide cation clo+  
689 SF Monosulfur monofluoride sf  
690 SF- sulfur monofluoride anion sf-  
691 SF+ sulfur monofluoride cation sf+  
692 SCl sulfur monochloride scl  
693 SCl- sulfur monochloride anion scl-  
694 SCl+ sulfur monochloride cation scl+  
695 BrO Bromine monoxide bro  
696 BrO- Bromine monoxide anion bro-  
697 BrO+ Bromine monoxide cation bro+  
698 SeF Selenium monofluoride sef  
699 SBr Sulfur monobromide radical sbr  
700 SBr+ Sulfur monobromide cation sbr+  
701 SeCl Selenium monochloride secl  
702 IO Iodine monoxide io  
703 SeBr Selenium monobromide sebr  
704 BrCl Bromine monochloride brcl  
705 F2 Fluorine diatomic f2  
706 F2- flourine diatomic anion f2-  
707 ClF- clorine monofluoride anion clf-  
708 ClF+ clorine monofluoride cation clf+  
709 Cl2 Chlorine diatomic cl2  
710 Cl2- chlorine diatomic anion cl2-  
711 BrF Bromine monofluoride brf  
712 BrF- bromine fluoride anion brf-  
713 BrF+ bromine fluoride cation brf+  
714 BrCl- bromine chloride anion brcl-  
715 BrCl+ bromine chloride cation brcl+  
716 IF Iodine monofluoride if  
717 Br2 Bromine diatomic br2  
718 Br2- bromine diatomic anion br2-  
719 Br2+ bromine diatomic cation br2+  
720 ICl Iodine monochloride icl  
721 IBr Iodine monobromide ibr  
722 I2 Iodine diatomic i2  
723 I2+ Iodine diatomic cation i2+  
724 HCCl Chloromethylene hccl  
725 HSiF fluorosilylene hsif  
726 HSiCl Chlorosilylene hsicl  
727 HSiBr monobromosilylene hsibr  
728 CHBr bromomethylene chbr  
729 HOF Hypofluorous acid hfo  
730 DOCl Hypochlorous acid-d docl  
731 HOCl hypochlorous acid hocl  
732 HOCl+ hypochlorous acid cation hocl+  
733 HOBr Hypobromous acid hobr  
734 HOBr+ Hypobromous acid cation hobr+  
735 HOI Hypoiodous acid hoi  
736 F2H+ Fluorine, protonated f2h+  
737 FHF Hydrogen difluoride fhf  
738 FHF- Hydrogen difluoride anion fhf-  
739 ClFH+ Chlorine fluoride, F-protonated clfh+  
740 FClH+ Chlorine fluoride, Cl-protonated fclh+  
741 Cl2H+ Chlorine, protonated cl2h+  
742 CH2Br bromomethyl radical ch2br  
743 CH2F+ fluoromethyl cation ch2f+  
744 CH2Cl+ chloromethyl cation ch2cl+  
745 CH2Cl chloromethyl radical ch2cl  
746 NH2F monofluoroamine nh2f  
747 NH2Cl chloramine nh2cl  
748 H2F2 Hydrogen fluoride dimer h2f2  
749 CH3F+ methyl fluoride cation ch3f+  
750 CD3F methylfluoride-d3 cd3f  
751 CH3F Methyl fluoride ch3f  
752 CD3Cl methyl chloride d3 cd3cl  
753 CH3Cl+ Methyl chloride cation ch3cl+  
754 SiH3F monofluorosilane sih3f  
755 SiH3Cl chlorosilane sih3cl  
756 CH3Br methyl bromide ch3br  
757 GeH3F monofluorogermane geh3f  
758 GeH3Cl monochlorogermane geh3cl  
759 SiH3Br bromosilane sih3br  
760 CH3I methyl iodide ch3i  
761 SiH3I Silyl Iodide sih3i  
762 NH3Cl+ protonated monochloroammonia nh3cl+  
763 CH3ClH+ methyl chloride, protonated ch3clh+  
764 NH4Cl Ammonium chloride nh4cl  
765 Ne2 Neon diatomic ne2  
766 Ne2+ Neon diatomic cation ne2+  
767 Ar2 Argon diatomic ar2  
768 Ar2+ Argon diatomic cation ar2+  
769 Li3 Lithium trimer li3  
770 Li3+ Lithium trimer cation li3+  
771 C3+ carbon trimer cation c3+  
772 SiC2 Silicon dicarbide sic2  
773 C3H3 cyclopropenyl radical cpr  
774 C3H3 Propargyl radical propargyl  
775 C3H3- Propargyl anion c3h3-  
776 C3H3+ cyclopropenyl cation cpr+  
777 C3H3+ Propargyl cation c3h3+  
778 C3H4 cyclopropene cprop  
779 CH2CCH2 allene allene  
780 CH3CCH propyne propyne  
781 C3H5 Allyl radical allyl  
782 C3H5+ Allyl cation allyl+  
783 CH3CHCH 1-propenyl radical ch3chch  
784 Zn(CH3)2 dimethyl zinc dmz  
785 C3H6 Cyclopropane c3h6  
786 CH2CHCH3 Propene propene  
787 C3H7 n-Propyl radical npropyl  
788 C3H7+ cyclopropane, protonated c3h7+  
789 CH3CHCH3 Isopropyl radical isopropyl  
790 CH3CHCH3+ Isopropyl cation prop2yl+  
791 C3H8 Propane propane  
792 SiH2(CH3)2 dimethylsilane dms  
793 Si3H8 trisilane si3h8  
794 LiCN lithium cyanide licn  
795 NaCN Sodium Cyanide nacn  
796 KCN Potassium cyanide kcn  
797 CuCN Copper cyanide cucn  
798 ZnCN Zinc monocyanide zncn  
799 ZnNC Zinc isocyanide znnc  
800 AlCN Aluminum monocyanide alcn  
801 AlNC Aluminum isocyanide alnc  
802 CN2 3H-Diazirin-3-ylidene cn2  
803 CNN Diazocarbene cnn  
804 NCN Cyanoimidogen ncn  
805 N3 azide radical n3  
806 N3- azide anion n3-  
807 N3+ azide cation n3+  
808 HCCN cyanomethylene hccn  
809 HCNN diazomethyl radical hcnn  
810 HN3 hydrogen azide hn3  
811 HN3+ Hydrazoic acid cation hn3+  
812 HNCNH diiminomethane hncnh  
813 CH2N2 diazirine ch2n2  
814 CH2NN diazomethane ch2nn  
815 NH2CN cyanamide cyanamide  
816 HNNNH+ 1,2-Triazadienium n2h3+  
817 NH2NN+ hydrazoic acid, protonated nh2nn+  
818 CH3CN Acetonitrile ch3cn  
819 CH3CN- acetonitrile anion ch3cn-  
820 CH3CN+ Acetonitrile cation ch3cn+  
821 CH3NC methyl isocyanide ch3nc  
822 CHNCH2 2H-Azirine c157164  
823 CHNHCH 1H-Azirine chnhch  
824 H2CCNH Ethenimine ch2cnh  
825 H2CNCH methyleneaminomethylene ch2nch  
826 HCCNH2 Ethynamine hccnh2  
827 HCNCH2+ 2H-Azirine cation hcnch2+  
828 HNCNH2+ diiminomethane, protonated hncnh2+  
829 NCNH3+ Cyanamide, protonated ncnh3+  
830 NH2CNH+ cyanamide, cn protonated nh2cnh+  
831 NH3CN+ cyanamide, amine protonated nh3cn+  
832 CH2CHNH vinylazine ch2chnh  
833 CH3CHN methylmethaniminyl radical ch3chn  
834 NHCHNH2 aminomethanimine cn2h4  
835 C2H5N Aziridine c2h5n  
836 CH2CHNH2 aminoethene aminoethene  
837 CH2NCH3 N-methylmethanimine nmm  
838 CH3CHNH ethanimine ethanimine  
839 NH2BHNH2 diaminoborane nh2bhnh2  
840 C2H5NH+ Protonated Aziridine c2h5nh+  
841 C2H6N+ aziridine, protonated c2h6n+  
842 NH2CH2NH2 diaminomethane nh2ch2nh2  
843 CH3CH2NH2 Ethylamine etam  
844 CH3NHCH3 Dimethylamine ch3nhch3  
845 CH3PHCH3 dimethylphosphine ch3phch3  
846 NH2CH2NH3+ diaminoethane, protonated pdam  
847 (CH3)2NH2+ dimethylammonium cation dmam  
848 CH3CH2NH3+ ethylamine, protonated pea  
849 Li2O dilithium oxide li2o  
850 Li2O+ dilithium oxide cation li2o+  
851 Li2S dilithium sulfide li2s  
852 Na2O disodium monoxide na2o  
853 Na2S Sodium sulfide na2s  
854 LiO2 Lithium dioxide lio2  
855 NaO2 Sodium superoxide nao2  
856 CCO Dicarbon monoxide cco  
857 CNO- fulminate cno-  
858 NCO- cyanate nco-  
859 SCN thiocyanato radical scn  
860 SCN- thiocyanide anion scn-  
861 BO2 Boron dioxide bo2  
862 BO2- Boron dioxide anion bo2-  
863 BO2+ Boron dioxide cation bo2+  
864 N2O- Nitrous oxide anion n2o-  
865 N2O+ Nitrous oxide cation n2o+  
866 NNS Nitrogen sulfide nns  
867 PPO Phosphorus oxide phosphide ppo  
868 CO2 Carbon dioxide co2  
869 CO2- Carbon dioxide anion co2-  
870 CO2+ Carbon dioxide cation co2+  
871 OCS+ Carbonyl sulfide cation cos+  
872 SiO2 silicon dioxide sio2  
873 CS2 Carbon disulfide cs2  
874 CS2- Carbon disulfide anion cs2-  
875 CS2+ Carbon disulfide cation cs2+  
876 TiO2 Titanium dioxide tio2  
877 SiS2 Silicon disulfide sis2  
878 GeO2 Germanium dioxide geo2  
879 OCSe Carbonyl selenide ocse  
880 SCSe Carbon sulfide selenide scse  
881 GeS2 Germanium disulfide ges2  
882 CSe2 Carbon diselenide cse2  
883 SCTe Carbon sulfide Telluride scte  
884 NO2 Nitrogen dioxide no2  
885 NO2- Nitrogen dioxide anion no2-  
886 NO2+ Nitrogen dioxide cation no2+  
887 NSO sulfinyl amidogen NSO  
888 PO2 Phosphorus dioxide po2  
889 PO2- Phosphorus dioxide anion po2-  
890 PO2+ Phosphorus dioxide cation po2+  
891 SNO Nitrogen oxide sulfide sno  
892 AsO2 Aresenic dioxide aso2  
893 O3 Ozone o3  
894 O3- Ozone anion o3-  
895 O3+ Ozone cation o3+  
896 SO2 Sulfur dioxide so2  
897 SO2- Sulfur dioxide anion so2-  
898 SO2+ Sulfur dioxide cation so2+  
899 SSO Disulfur monoxide sso  
900 S3- Sulfur trimer anion s3-  
901 S3+ Sulfur trimer cation s3+  
902 SeO2 Selenium dioxide seo2  
903 SeO2+ Selenium dioxide cation seo2+  
904 TeO2 Tellurium Dioxide teo2  
905 HCCO ketenyl radical ketenyl  
906 CS2H+ Carbon disulfide, protonated cs2h+  
907 HCNO fulminic acid hcno  
908 HNCO Isocyanic acid hnco  
909 HOCN cyanic acid hocn  
910 HNCS Isothiocyanic acid hncs  
911 HSCN thiocyanic acid hscn  
912 HCO2- formate anion hco2-  
913 HNNO nitrosoazane hnno  
914 HNNO+ Nitrous oxide, N-protonated hnno+  
915 NNOH+ Nitrous Oxide, O-protonated nnoh+  
916 HCOO formate neutral radical hcoo  
917 HOCO Hydrocarboxyl radical hoco  
918 HOCO+ Hydrocarboxyl cation hoco+  
919 HNO2 Nitrous acid hno2  
920 HNO2+ nitrous acid cation hno2+  
921 O3H+ protonated ozone o3h+  
922 SO2H+ protonated sulfur dioxide so2h+  
923 C2H2O Oxirene oxirene  
924 CH2CO Ketene ch2co  
925 CH2CO+ Ketene cation ch2co+  
926 HCCOH ethynol hccoh  
927 CH2CS Thioketene ch2cs  
928 Mg(OH)2 Magnesium dihydroxide h2mgo2  
929 NH2NO Nitrosamide nh2no  
930 CH2O2 Dioxirane diox  
931 H2COO Dioxymethyl radical h2coo  
932 H2COO+ dioxymethyl cation h2coo+  
933 HCOOH Formic acid ch2o2  
934 H2O3 Hydrogen trioxide h2o3  
935 HSSSH trisulfane hsssh  
936 NaOCH3 Sodium methoxide naoch3  
937 CH2BOH hydroxy(methylene)borane ch2boh  
938 BH3CO Borane carbonyl bh3co  
939 CH3BO Borane, methyloxo- ch3bo  
940 CH2CHO Vinyloxy radical ch2cho  
941 CH2COH+ ketene, protonated ch2coh+  
942 CH3CO Acetyl radical ch3co  
943 CH3CO- Acetyl anion ch3co-  
944 CH3CO+ acetyl cation ch3co+  
945 CH2NOH formaldoxime ch2noh  
946 CH3NO nitrosomethane ch3no  
947 CHONH2 formamide formamide  
948 CNOH3 1,2-oxaziridine cnoh3  
949 HOCHNH hydroxymethylimine hochnh  
950 CHSNH2 thioformamide chsnh2  
951 NHCHSH Methanimidothioic acid nhchsh  
952 CH2OOH CH2OOH radical ch2ooh  
953 CH3OO methylperoxy radical ch3oo  
954 CH3OO- methylperoxy anion ch3oo-  
955 CH3OO+ methylperoxy cation ch3oo+  
956 C2H4O Ethylene oxide c2h4o  
957 C2H4O+ ethylene oxide cation c2h4o+  
958 CH2CHOH ethenol ch2choh  
959 CH3CHO Acetaldehyde ch3cho  
960 CH3CHO+ acetaldehyde cation ch3cho+  
961 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
962 C2H4S Thiirane thiirane  
963 CH2CHSH Ethenethiol ch2chsh  
964 CH3CHS Thioacetaldehyde ch3chs  
965 H2CONH2+ protonated formamide h2conh2+  
966 NH2CHOH+ Formamide, O-protonated nh2choh+  
967 NH3CHO+ Formamide, N-Protonated nh3cho+  
968 CH2(OH)2 methanediol ch2o2h2  
969 CH3OOH Methyl peroxide ch3ooh  
970 CH3SSH Hydrogen methyl disulfide ch3ssh  
971 HSCH2SH Methanedithiol ch4s2  
972 H2OH2CO water formaldehyde dimer h2oh2co  
973 C2H4OH+ ethylene oxide, protonated c2h4oh+  
974 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
975 CH3CH2O Ethoxy radical ethoxy  
976 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
977 CH3CHOH+ acetaldehyde, protonated ch3choh+  
978 CH3OCH2 methoxymethyl radical ch3och2  
979 NH2CH2OH aminomethanol nh2ch2oh  
980 CH3CH2OH Ethanol etoh  
981 CH3OCH3 Dimethyl ether meome  
982 CH3CH2SH ethanethiol etsh  
983 CH3SCH3 Dimethyl sulfide mesme  
984 CH3SCH3+ dimethyl sulfide cation mesme+  
985 CH3SeCH3 dimethylselenide dmse  
986 CH3OHH2O methanol water dimer ch3ohh2o  
987 H2OCH3OH water methanol dimer h2och3oh  
988 CuF2 Copper difluoride cuf2  
989 ZnF2 Zinc difluoride znf2  
990 CNF iso cyanogen fluoride cnf  
991 FCN Cyanogen fluoride fcn  
992 ClCN chlorocyanogen clcn  
993 BrCN Cyanogen bromide brcn  
994 FBO Boron monofluoride monoxide fbo  
995 BeF2 Beryllium fluoride bef2  
996 MgF2 Magnesium fluoride mgf2  
997 BeCl2 Beryllium chloride becl2  
998 MgCl2 Magnesium dichloride mgcl2  
999 CaCl2 Calcium Chloride cacl2  
1000 ZnCl2 Zinc dichloride zncl2  
1001 BeBr2 Beryllium bromide bebr2  
1002 CaBr2 Calcium dibromide cabr2  
1003 CaF2 Calcium difluoride caf2  
1004 FCO Carbonyl fluoride fco  
1005 FCO+ Carbonyl fluoride cation fco+  
1006 ClCO carbonyl monochloride clco  
1007 BF2 Boron difluoride radical bf2  
1008 FNO Nitrosyl fluoride fno  
1009 ClNO Nitrosyl chloride clno  
1010 FNS Thionitrosyl fluoride fns  
1011 FSN Thiazyl fluoride fsn  
1012 OPCl Phosphorus oxychloride opcl  
1013 BrNO Nitrosyl bromide brno  
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 oclo  
1031 OClO+ Chlorine dioxide cation oclo+  
1032 ClSO Sulfur chloride oxide clso  
1033 ClS2 Sulfur chloride cls2  
1034 BrOO Bromine dioxide broo  
1035 OBrO Bromine dioxide radical obro  
1036 NF2 Difluoroamino radical nf2  
1037 NF2+ Difluoroamino cation nf2+  
1038 PF2 Phosphorus difluoride pf2  
1039 PF2+ Phosphorus difluoride cation pf2+  
1040 FClO chlorosyl fluoride fclo  
1041 F2O Difluorine monoxide f2o  
1042 ClOF Chlorine hypofluorite clof  
1043 SF2 sulfur difluoride sf2  
1044 SF2- sulfur difluoride anion sf2-  
1045 SF2+ sulfur difluoride cation sf2+  
1046 Cl2O Dichlorine monoxide cl2o  
1047 SCl2 Sulfur dichloride scl2  
1048 SeF2 Selenium difluoride sef2  
1049 BrOCl Bromine hypochlorite brocl  
1050 SeCl2 Selenium Dichloride secl2  
1051 SBr2 Sulfur dibromide sbr2  
1052 SeBr2 Selenium dibromide sebr2  
1053 BrOBr Bromine oxide brobr  
1054 F3- trifluoride anion f3-  
1055 Cl3- trichloride anion cl3-  
1056 Br3- tribromide anion br3-  
1057 I3- triiodide i3-  
1058 SFCl Sulfur chloride fluoride sfcl  
1059 HCCF Fluoroacetylene hccf  
1060 HCCF+ fluoroacetylene cation hccf+  
1061 HCCCl Chloroacetylene hcccl  
1062 HCCBr bromoacetylene hccbr  
1063 HFCO formyl fluoride hfco  
1064 HFCO+ formyl fluoride cation hfco+  
1065 COHCl Formyl chloride cohcl  
1066 COHBr Formyl bromide cohbr  
1067 BHF2 Difluoroborane bhf2  
1068 BHCl2 Borane, dichloro- bhcl2  
1069 CHCl2 dichloromethyl radical chcl2  
1070 CHF2 difluoromethyl radical chf2  
1071 CHF2+ difluoromethyl cation chf2+  
1072 CHFCl Chlorofluoromethyl radical chfcl  
1073 CHFCl+ Chlorofluoromethyl cation chfcl+  
1074 CHCl2+ dichloromethyl cation chcl2+  
1075 CHBr2 dibromomethyl radical chbr2  
1076 HOClO Chlorous acid hoclo  
1077 NHF2 difluoramine nhf2  
1078 NHCl2 dichloroamine nhcl2  
1079 CH2F2 Methane, difluoro- ch2f2  
1080 CH2FCl fluorochloromethane ch2fcl  
1081 SiH2F2 difluorosilane sih2f2  
1082 CH2Cl2 Methylene chloride ch2cl2  
1083 CH2BrF Methane, bromofluoro- ch2fbr  
1084 CH2BrCl Methane, bromochloro- ch2clbr  
1085 CH2FI fluoroiodomethane ch2fi  
1086 CH2Br2 dibromomethane ch2br2  
1087 CH2ClI chloroiodomethane ch2cli  
1088 CH2BrI bromoiodomethane ch2bri  
1089 CH2I2 Diiodomethane ch2i2  
1090 SiH2Cl2 dichlorosilane sih2cl2  
1091 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1092 CH2CHF Ethene, fluoro- ch2chf  
1093 CH2CHF+ fluoroethene cation ch2chf+  
1094 C2H3Cl Ethene, chloro- ch2chcl  
1095 C2H3Br vinyl bromide c2h3br  
1096 C2H3I Vinyl iodide c2h3i  
1097 CH2FOH fluoromethanol ch2foh  
1098 CH3OCl methyl hypochlorite ch3ocl  
1099 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1100 CHClCH3 1-chloroethyl radical chclch3  
1101 C2H5F fluoroethane c2h5f  
1102 CH3CH2Cl Ethyl chloride c2h5cl  
1103 CH3SiFH2 fluoromethylsilane ch3sifh2  
1104 C2H5Br Ethyl bromide etbr  
1105 C2H5I Ethyl iodide c2h5i  
1106 KrF2 Krypton difluoride krf2  
1107 XeF2 Xenon difluoride xef2  
1108 B4H10 Tetraborane(10) b4h10  
1109 C4 Carbon tetramer c4  
1110 C4+ Carbon tetramer cation c4+  
1111 C4H2 Diacetylene c4h2  
1112 C4H2+ diacetlyene cation c4h2+  
1113 C2H3CCH 1-Buten-3-yne c2h3cch  
1114 C4H4 cyclobutadiene cbd  
1115 C4H4 Tetrahedrane c4h4  
1116 H2CCCCH2 Butatriene h2cccch2  
1117 C4H6 1-Methylcyclopropene c3100047  
1118 C4H6 Cyclobutene c822355  
1119 C4H6 Methylenecyclopropane c6142730  
1120 CH2CCHCH3 1,2-Butadiene butad12  
1121 CH2CHCHCH2 1,3-Butadiene c106990  
1122 CH3CCCH3 2-Butyne c503173  
1123 CHCCH2CH3 1-Butyne c107006  
1124 CH3CHCHCH2 methylallyl radical c4h7  
1125 C4H8 methylcyclopropane mcp  
1126 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1127 CH2CHCH2CH3 1-Butene bute1  
1128 CH3CHCHCH3 2-Butene, (E)- bute2e  
1129 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1130 B(CH3)3 trimethylborane bme3  
1131 Al(CH3)3 trimethyl aluminum tma  
1132 C(CH3)3 Tert-butyl radical tbutyl  
1133 CH2CH(CH3)2 Isobutyl radical isobutyl  
1134 CH3CHCH2CH3 2-Butyl radical butyl2  
1135 CH3CH(CH3)CH3 Isobutane isobutane  
1136 CH3CH2CH2CH3 Butane butane  
1137 SiH(CH3)3 trimethylsilane trimsi  
1138 Li3N trilithium nitride li3n  
1139 C2N2 Cyanogen c2n2  
1140 C2N2+ Cyanogen cation c2n2+  
1141 P4 Phosphorus tetramer p4  
1142 As4 Arsenic tetramer as4  
1143 HCCCN Cyanoacetylene hcccn  
1144 HCCCN+ Cyanoacetylene cation hcccn+  
1145 H2CNCN cyanamide, methylene ch2ncn  
1146 HNCCNH Ethenediimine hnccnh  
1147 C3H3N acrylonitrile ch2chcn  
1148 C3H3N+ acrylonitrile cation ch2chcn+  
1149 CH3N3 methyl azide ch3n3  
1150 NH2CCNH2 Diaminoacetylene daa  
1151 NH2CH2CN Aminoacetonitrile aan  
1152 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1153 C2H5CN ethyl cyanide c2h5cn  
1154 CH5N3 Guanidine guanidine  
1155 C4H6 Bicyclo[1.1.0]butane c157335  
1156 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1157 H2NCHCHNH2 diaminoethylene dae  
1158 CH6N3+ guanidinium ch6n3+  
1159 C3H7N Cyclopropylamine cpram  
1160 CH7N3 triaminomethane tam  
1161 C3H7N Azetidine azet  
1162 C4H8 cyclobutane cbutane  
1163 C2H8N2 Ethylenediamine ethdiam  
1164 CH3NHNHCH3 dimethyl hydrazine dmh  
1165 CH3CH(NH2)CH3 2-Propanamine pram2  
1166 N(CH3)3 Trimethylamine trimeam  
1167 NH2CH2CH2CH3 1-Propanamine pram1  
1168 P(CH3)3 trimethylphosphine tmp  
1169 N(SiH3)3 trisilylamine tsa  
1170 As(CH3)3 trimethyl arsine tmas  
1171 (CH3)3NH+ protonated trimethyl amine ptma  
1172 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1173 Li2O2 dilithium dioxide li2o2  
1174 Na2O2 disodium dioxide na2o2  
1175 K2O2 dipotassium dioxide k2o2  
1176 C3O Tricarbon monoxide c3o  
1177 B2O2 Diboron dioxide b2o2  
1178 ONNO NO dimer onno  
1179 S2N2 Disulfur dinitride s2n2  
1180 CO3 Carbon trioxide co3  
1181 CO3-- carbonate co3--  
1182 CS3-- Carbonotrithioate cs3--  
1183 NO3 Nitrogen trioxide no3  
1184 NO3- nitrate anion no3-  
1185 NO3+ nitrogen trioxide cation no3+  
1186 SO3 Sulfur trioxide so3  
1187 SO3- Sulfur trioxide anion so3-  
1188 SO3-- Sulfate dianion so3--  
1189 SO3+ Sulfur trioxide cation so3+  
1190 SeO3 selenium trioxide seo3  
1191 S4 Sulfur tetramer s4  
1192 TeO3 Tellurium trioxide teo3  
1193 HCO3- bicarbonate anion hco3-  
1194 HNO3 Nitric acid hno3  
1195 HSO3 Hydroxysulfonyl radical hso3  
1196 NH2NO2 nitramide nh2no2  
1197 C2H2CO cyclopropenone c2h2co  
1198 C3H2O Propadienal c3h2o  
1199 HCCCHO 2-propynal hcccho  
1200 C2H2O2 Ethanedial c2h2o2  
1201 C2H2O2+ Ethanedial cation c2h2o2+  
1202 H2CO3 Carbonic acid h2co3  
1203 H2CS3 thiocarbonic acid h2cs3  
1204 H2NO3+ Nitric Acid, Protonated h2no3+  
1205 H2SO3 Sulfurous acid h2so3  
1206 C2H3NO Nitrosoethylene c2h3no  
1207 CH3NCO methylisocyante ch3nco  
1208 HOCH2CN cyanomethanol hoch2cn  
1209 CH3COO- acetate anion ch3coo-  
1210 CH3NO2 Methane, nitro- ch3no2  
1211 CH3ONO Methyl nitrite ch3ono  
1212 NH2COOH Carbamic acid nh2cooh  
1213 H3BO3 Boric acid h3bo3  
1214 H3AlO3 Aluminum hydroxide h3alo3  
1215 H3CO3+ carbonic acid, protonated h3co3+  
1216 C3H4O 2-Propyn-1-ol c107197  
1217 C3H4O allenol c9000071  
1218 C3H4O Cyclopropanone cpone  
1219 C3H4O Methylketene c6004440  
1220 CH2CHCHO Acrolein c3h4o  
1221 NH2CONH2 Urea urea  
1222 NH2CONH2+ Urea cation urea+  
1223 NH2CSNH2 Thiourea thiourea  
1224 C2H4O2 1,3-dioxetane c2h4o2  
1225 CH3COOH Acetic acid ch3cooh  
1226 CH3OCHO methyl formate ch3ocho  
1227 CHOCH2OH hydroxy acetaldehyde haa  
1228 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1229 NH3COOH+ protonated Carbamic acid nh3cooh+  
1230 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1231 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1232 HCOOHH2O Formic acid water dimer hcoohh2o  
1233 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1234 CH3COCH2 Acetonyl radical ch3coch2  
1235 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1236 CH3C(OH)=NH Ethaninidic acid eia  
1237 CH3CHNOH Acetaldoxime acetaldoxime  
1238 CH3CONH2 Acetamide acetamide  
1239 HCONHCH3 N-methylformamide nmfa  
1240 CH3CSNH2 Ethanethioamide ch3csnh2  
1241 CH5N2O+ urea, N-protonated ch4n2o+  
1242 H2NCOHNH2+ urea, protonated ureah+  
1243 C2H5OO ethylperoxy radical c2h5oo  
1244 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1245 C3H5OH Cyclopropanol cproh  
1246 C3H6O 2-Propen-1-ol c107186  
1247 C3H6O Acetone enol enol  
1248 C3H6O Oxetane oxetane  
1249 C3H6O Propylene oxide prox  
1250 CH3CH2CHO Propanal propanal  
1251 CH3COCH3 Acetone acetone  
1252 CH3COCH3- acetone anion ch3coch3-  
1253 C3H6S Thietane thietane  
1254 C3H6S Thiirane, methyl- methiirane  
1255 CH3CSCH3 Thioacetone ch3csch3  
1256 C2H6O2 1,2-Ethanediol ethdiol  
1257 CH3OOCH3 dimethylperoxide dmp  
1258 CH3SOCH3 Dimethyl sulfoxide dmso  
1259 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1260 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1261 CH3COHCH3+ acetone, protonated acetoneh+  
1262 HOCH2CH2NH2 monoethanolamine mea  
1263 C3H7OH 1-Propanol proh  
1264 CH3CHOHCH3 Isopropyl alcohol isoproh  
1265 CH3OC2H5 Ethane, methoxy- etome  
1266 C3H7SH 1-Propanethiol prsh  
1267 CH3CHSHCH3 2-Propanethiol isoprsh  
1268 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1269 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1270 Li2F2 Lithium fluoride dimer li2f2  
1271 Na2F2 Sodium Fluoride Dimer na2f2  
1272 Na2Cl2 Disodium dichloride na2cl2  
1273 C2F2 difluoroacetylene c2f2  
1274 C2Cl2 dichloroacetylene c2cl2  
1275 C2Cl2+ dichloroacetylene cation c2cl2+  
1276 FNO2 Nitryl fluoride fno2  
1277 FONO Nitrosyl hypofluorite fono  
1278 ClNO2 Nitryl chloride clno2  
1279 ClONO chlorine nitrite clono  
1280 BrONO Bromine nitrite brono  
1281 N2F2 (Z)-Difluorodiazene n2f2_z  
1282 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1283 CF2O Carbonic difluoride f2co  
1284 CF2O+ Carbonic difluoride cation f2co+  
1285 COFCl Carbonic chloride fluoride cofcl  
1286 CCl2O Phosgene cl2co  
1287 Cl2CS Thiophosgene cl2cs  
1288 COBr2 Carbonic dibromide cobr2  
1289 BF3 Borane, trifluoro- bf3  
1290 BF3- Borane, trifluoro- anion bf3-  
1291 BF3+ boron trifluoride cation bf3+  
1292 AlF3 Aluminum trifluoride alf3  
1293 BClF2 Chlorodifluoroborane bclf2  
1294 AlF2Cl Aluminum chloride difluoride alclf2  
1295 ScF3 Scandium trifluoride ScF3  
1296 AlFCl2 Aluminum dichloride fluoride alcl2f  
1297 BCl3 Borane, trichloro- bcl3  
1298 BCl3+ Boron Trichloride cation bcl3+  
1299 GaF3 Gallium trifluoride gaf3  
1300 AlCl3 Aluminum trichloride alcl3  
1301 GaCl3 Gallium trichloride gacl3  
1302 BBr3 Boron tribromide bbr3  
1303 AlBr3 Aluminum Bromide albr3  
1304 ClO3 Chlorine trioxide clo3  
1305 ClO3- chlorate anion clo3-  
1306 BrO3- Bromate anion bro3-  
1307 CF3 Trifluoromethyl radical cf3  
1308 CF3- Trifluoromethyl anion cf3-  
1309 CF3+ Trifluoromethyl cation cf3+  
1310 CF2Cl difluorochloromethyl radical cf2cl  
1311 SiF3 Silicon trifluoride radical sif3  
1312 SiF3+ Silicon trifluoride cation sif3+  
1313 CFCl2 dichlorofluoromethyl radical cfcl2  
1314 CCl3 Trichloromethyl radical ccl3  
1315 CCl3- Trichloromethyl anion ccl3-  
1316 CCl3+ Trichloromethyl cation ccl3+  
1317 SiCl3 trichlorosilyl radical sicl3  
1318 SiCl3+ trichlorosilyl cation sicl3+  
1319 CBr3 tribromomethyl radical cbr3  
1320 FOOF Perfluoroperoxide foof  
1321 ClO2F Chloryl fluoride clo2f  
1322 F2SO Thionyl Fluoride f2so  
1323 ClOOCl Dichlorine dioxide cloocl  
1324 FSSF Difluorodisulfane fssf  
1325 S2F2 Thio-thionyl fluoride s2f2  
1326 SOCl2 thionyl chloride socl2  
1327 SSCl2 Thiothionyl chloride sscl2  
1328 SeOCl2 selenium oxychloride seocl2  
1329 NF3 Nitrogen trifluoride nf3  
1330 NF3- Nitrogen trifluoride anion nf3-  
1331 NF3+ Nitrogen trifluoride cation nf3+  
1332 PF3 Phosphorus trifluoride pf3  
1333 NCl3 nitrogen trichloride ncl3  
1334 AsF3 Arsenic trifluoride asf3  
1335 PCl3 Phosphorus trichloride pcl3  
1336 SbF3 Antimony Trifluoride sbf3  
1337 AsCl3 Arsenous trichloride ascl3  
1338 SbCl3 Antimony Trichloride sbcl3  
1339 NBr3 Nitrogen Tribromide nbr3  
1340 PBr3 Phosphorus tribromide pbr3  
1341 AsBr3 Arsenic tribromide asbr3  
1342 NI3 Nitrogen triiodide ni3  
1343 PI3 Phosphorus triiodide pi3  
1344 ClSSCl Disulfur dichloride s2cl2  
1345 SF3 Sulfur trifluoride sf3  
1346 ClF3 Chlorine trifluoride clf3  
1347 BrF3 Bromine trifluoride brf3  
1348 IF3 iodone trifluoride if3  
1349 HClO3 Chloric Acid hclo3  
1350 CHF3 Methane, trifluoro- chf3  
1351 CHF2Cl difluorochloromethane chf2cl  
1352 SiHF3 trifluorosilane sihf3  
1353 CHFCl2 fluorodichloromethane chfcl2  
1354 CDCl3 trichloromethane-d cdcl3  
1355 CHCl3 Chloroform chcl3  
1356 CHBrF2 Methane, bromodifluoro- chbrf2  
1357 SiHCl3 Trichlorosilane sihcl3  
1358 CHFClBr fluorochlorobromomethane chfclbr  
1359 CHBrCl2 Methane, bromodichloro- chbrcl2  
1360 CHF2I difluoroiodomethane chf2i  
1361 CHBr2F dibromofluoromethane chbr2f  
1362 CHFClI fluorochloroiodomethane chfcli  
1363 CHCl2I dichloroiodomethane chcl2i  
1364 CHClBr2 Methane, dibromochloro- chclbr2  
1365 CHBr3 bromoform chbr3  
1366 CHI3 Iodoform chi3  
1367 NF3H+ protonated nitrogen trifluoride nf3h+  
1368 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1369 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1370 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1371 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1372 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1373 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1374 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1375 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1376 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1377 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1378 C2H2Br2 1,1-dibromoethene c2h2br2  
1379 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1380 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1381 CH2FCHO Fluoroacetaldehyde ch2fcho  
1382 CH3COF Acetyl fluoride ch3cof  
1383 CH2ClCHO chloroacetaldehyde ch2clcho  
1384 CH3COCl Acetyl Chloride ch3cocl  
1385 C2H4F2 1,2-difluoroethane c2h4f2  
1386 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1387 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1388 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1389 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1390 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1391 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1392 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1393 CH2CFCH3 2-fluoropropene 2fpro  
1394 CH2CHCH2F Allyl Fluoride allylf  
1395 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1396 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1397 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1398 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1399 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1400 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1401 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1402 CH2FCH2CH3 1-Fluoropropane prf1  
1403 CH3CHFCH3 2-Fluoropropane prf2  
1404 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1405 CH3CHClCH3 Propane, 2-chloro- prcl2  
1406 CH3CH2CH2Br n-propyl bromide prbr  
1407 CH3CHBrCH3 i-propyl bromide iprbr  
1408 C3H9O+ trimethyl oxonium cation c3h9o+  
1409 B5H9 pentaborane9 b5h9  
1410 C5H4 pentatetraene ptrene  
1411 C5H5 cyclopentadienyl radical c5h5  
1412 C5H5- cylopentadienyl anion c5h5-  
1413 C5H6 1,3-Cyclopentadiene c542927  
1414 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1415 C5H6 3-Penten-1-yne, (E)- c2004695  
1416 C5H6 3-Penten-1-yne, (Z)- c1574409  
1417 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1418 C5H6 Cyclopropylacetylene c6746947  
1419 C5H6 Propellane propellane  
1420 C5H7 1,3-pentadienyl radical pdyl  
1421 C5H7 cyclopentenyl radical cpyl  
1422 C5H8 1,2-Butadiene, 3-methyl- c598254  
1423 C5H8 1,2-Pentadiene c591957  
1424 C5H8 1,3-Butadiene, 2-methyl- c78795  
1425 C5H8 1,3-Pentadiene, (E)- c2004708  
1426 C5H8 1,3-Pentadiene, (Z)- c1574410  
1427 C5H8 1,4-Pentadiene c591935  
1428 C5H8 1-pentyne a1pentyne  
1429 C5H8 2,3-Pentadiene c591968  
1430 C5H8 Bicyclo[1.1.1]pentane bcp  
1431 C5H8 Cyclobutane, methylene- c1120565  
1432 C5H8 Cyclopentene c142290  
1433 C5H8 Ethenylcyclopropane c693867  
1434 CH3CCCH2CH3 2-Pentyne 2pentyne  
1435 C5H10 1-Butene, 2-methyl- c563462  
1436 C5H10 2-Butene, 2-methyl- c513359  
1437 C5H10 2-Pentene, (E)- c646048  
1438 C5H10 2-Pentene, (Z)- c627203  
1439 C5H10 Cyclopentane c287923  
1440 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1441 CH2CHCH2CH2CH3 1-pentene pentene  
1442 C5H11 2-Methylbut-2-yl radical c4348350  
1443 C5H12 Butane, 2-methyl- buta2  
1444 C5H12 Pentane pentane  
1445 C5H12 Propane, 2,2-dimethyl- neopentane  
1446 Si(CH3)4 tetramethylsilane tms  
1447 N2O3 Dinitrogen trioxide n2o3  
1448 C3H2N2 Malononitrile c3h2n2  
1449 CH2N4 1H-Tetrazole 1htz  
1450 C3H3N2 imidazolyl radical im  
1451 C3H3N2- imidizolyl anion im-  
1452 C2H3N3 1H-1,2,4-Triazole c288880  
1453 C4H4N pyrrolide radical c4h4n  
1454 C4H4N- pyrrolide anion c4h4n-  
1455 C3H4N2 1H-Imidazole 1himidaz  
1456 C3H4N2 1H-Pyrazole 1hpyraz  
1457 C3H4N2 2H-Imidazole imid2h  
1458 C3H4N2 4H-Imidazole imid4h  
1459 C4H5N (E)-2-Butenenitrile c627269  
1460 C4H5N (Z)-2-Butenenitrile c1190767  
1461 C4H5N 2H-pyrrole pyrrole2  
1462 C4H5N 3H-pyrrole pyrrole3  
1463 C4H5N Cyclopropanecarbonitrile c5500210  
1464 C4H5N Pyrrole pyrrole  
1465 CH2CHCH2CN Allylcyanide ch2chch2cn  
1466 C4H6N+ pyrrole, alpha-protonated appyr  
1467 C4H6N+ pyrrole, beta-protonated bppyr  
1468 C4H6N+ pyrrole, protonated ppyr  
1469 C3H6N2 3-Aminopropionitrile c151188  
1470 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1471 CH3CH2CH2CN Butanenitrile c109740  
1472 C5H8 Bicyclo[2.1.0]pentane c185944  
1473 C5H8 Spiropentane c157404  
1474 C4H9N Cyclobutylamine cbam  
1475 C4H9N Pyrrolidine pyrrolidine  
1476 C3H10N2 1,2-Diaminopropane diampr12  
1477 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1478 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1479 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1480 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1481 NH(C2H5)2 diethylamine dea  
1482 NC4H12+ tetramethyl ammonium cation nc4h12+  
1483 C3O2 Carbon suboxide c3o2  
1484 C3O2+ Carbon suboxide cation c3o2+  
1485 B2O3 diboron trioxide b2o3  
1486 MgCO3 Magnesium Carbonate mgco3  
1487 BeCO3 Beryllium Carbonate beco3  
1488 CaCO3 Calcium Carbonate caco3  
1489 ONONO Nitrosyl nitrite onono  
1490 PO4--- phosphate po4---  
1491 SO4-- sulfate so4--  
1492 HOONO2 peroxy nitric acid hoono2  
1493 HSO4- bisulfate anion hso4-  
1494 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1495 C3H2O2 Propiolic acid c3h2o2  
1496 CHOCOOH oxo acetic acid oaa  
1497 CHOOCHO diformyl ether choocho  
1498 H2SO4 Sulfuric acid h2so4  
1499 H2SeO4 Selenic acid h2seo4  
1500 C3H3NO Isoxazole isox  
1501 C3H3NO Oxazole oxazole  
1502 C3H3NS Thiazole thiazole  
1503 CH3C(O)OO acetyl peroxy radical ch3coo2  
1504 CH3NO3 Methyl nitrate ch3no3  
1505 H3PO4 Phosphoric Acid h3po4  
1506 C4H4O Furan furan  
1507 C4H4O+ Furan cation furan+  
1508 CH3COCCH 3-butyn-2-one c1423605  
1509 C4H4S Thiophene furans  
1510 C4H4Se selenophene c4h4se  
1511 C3H4O2 β–Propiolactone beta  
1512 C3H4O2 2-Propenoic acid propenoic2  
1513 C3H4O2 Methyl glyoxal megly  
1514 C3H4O2 propanedial propanedial  
1515 C3H4O2 propenalol propenalol  
1516 HOCHCCHOH allenediol aldiol  
1517 C2H4O3 1,2,3-trioxolane c2h4o3  
1518 C2H4O3 trioxolane124 triox  
1519 HOCH2COOH Hydroxyacetic acid hac  
1520 CH2CHCONH2 Acrylamide c79061  
1521 CH3OCH2CN Methoxyacetonitrile c1738369  
1522 CH5N3S Hydrazinecarbothioamide c79196  
1523 H2NCH2COOH Glycine glycine  
1524 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1525 C4H6O cis-2-butenal butenal2c  
1526 C4H6O Cyclobutanone cbutone  
1527 C4H6O Furan, 2,3-dihydro- furan23h  
1528 C4H6O Furan, 2,5-dihydro- furan25h  
1529 CH2CHOCHCH2 Vinyl ether vinylether  
1530 CHOCHCHCH3 2-Butenal butenal2  
1531 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1532 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1533 CH2CHSCHCH2 Divinyl sulfide divis  
1534 C2H6N2O Urea, methyl- c598505  
1535 C3H6O2 1,3-Dioxolane dioxolane  
1536 CH3CH2COOH Propanoic Acid propanoic  
1537 CH3COOCH3 methyl acetate aame  
1538 HCOOC2H5 Ethyl formate faee  
1539 C2H6O2S Dimethyl sulfone c67710  
1540 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1541 C3H7NO dimethylformamide dmf  
1542 C3H7NO Propanamide propanam  
1543 C2H3OC2H5 Ethene, ethoxy- c109922  
1544 C4H8O Cyclobutanol c2919235  
1545 C4H8O Furan, tetrahydro- thf  
1546 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1547 CH3COCH2CH3 2-Butanone buta2one  
1548 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1549 CHOCH2CH2CH3 Butanal butanal  
1550 C4H8S Thiophene, tetrahydro- tht  
1551 C3H8O2 1,3-Propanediol c504632  
1552 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1553 C3H8O2 Methane, dimethoxy- c109875  
1554 C3H8O2 Propylene glycol c57556  
1555 C3H8S2 1,3-Propanedithiol c109808  
1556 C4H10O 1-Butanol butanol1  
1557 C4H10O 1-Propanol, 2-methyl- c78831  
1558 C4H10O 2-Butanol, (.+/-.)- butanol2  
1559 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1560 C4H10O Ethoxy ethane etoet  
1561 C4H10O Methyl propyl ether meopr  
1562 C4H10O Propane, 2-methoxy- c598538  
1563 C4H10O+ 1-Butanol cation butanol1+  
1564 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1565 C2H5SC2H5 Diethyl sulfide etset  
1566 C4H9SH 1-Butanethiol bush  
1567 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1568 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1569 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1570 FNO3 Fluorine nitrate fno3  
1571 ClONO2 Chlorine nitrate clono2  
1572 BrONO2 Bromine nitrate brono2  
1573 TiCl4 Titanium tetrachloride ticl4  
1574 ClO4- perchlorate anion clo4-  
1575 BF4- tetrafluoroboron anion bf4-  
1576 ClFO3 Perchloryl fluoride clfo3  
1577 SO2F2 Sulfuryl fluoride so2f2  
1578 SO2Cl2 Sulfuryl chloride so2cl2  
1579 F3NO Nitrogen trifluoride oxide f3no  
1580 F3PO Phosphoryl fluoride pf3o  
1581 Cl3PO Phosphoryl chloride pcl3o  
1582 CF4 Carbon tetrafluoride cf4  
1583 CF3Cl Methane, chlorotrifluoro- cf3cl  
1584 SiF4 Silicon tetrafluoride sif4  
1585 CF2Cl2 difluorodichloromethane cf2cl2  
1586 TiF4 Titanium tetrafluoride tif4  
1587 CFCl3 Trichloromonofluoromethane cfcl3  
1588 CF3Br Bromotrifluoromethane cf3br  
1589 GeF4 Germanium tetrafluoride gef4  
1590 CCl4 Carbon tetrachloride ccl4  
1591 CCl4+ Carbon tetrachloride cation ccl4+  
1592 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1593 SiCl4 Silane, tetrachloro- sicl4  
1594 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1595 CF3I trifluoroiodomethane cf3i  
1596 CBrCl3 Methane, bromotrichloro- cbrcl3  
1597 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1598 GeCl4 Germanium Tetrachloride gecl4  
1599 CBr2ClF dibromochlorofluoromethane cbr2clf  
1600 CBr2Cl2 dibromodichloromethane cbr2cl2  
1601 CCl3I trichloroiodomethane ccl3i  
1602 CFBr3 fluorotribromomethane cfbr3  
1603 CFClBrI fluorochlorobromoiodomethane cfclbri  
1604 CBr3Cl tribromochloromethane cbr3cl  
1605 CF2I2 difluorodiiodomethane cf2i2  
1606 CBr4 Carbon tetrabromide cbr4  
1607 CCl2I2 dichlorodiiodomethane ccl2i2  
1608 SiBr4 Silicon tetrabromide sibr4  
1609 CBr3I tribromoiododmethane cbr3i  
1610 GeBr4 Germanium tetrabromide gebr4  
1611 CI4 tetraiodomethane ci4  
1612 SiI4 silicon tetraiodide sii4  
1613 ClOF3 Chlorine trifluoride oxide clof3  
1614 SF4 Sulfur tetrafluoride sf4  
1615 SeF4 Selenium tetrafluoride sef4  
1616 SCl4 Sulfur tetrachloride scl4  
1617 C2HF3 Trifluoroethylene c2hf3  
1618 C2HF3+ Trifluoroethylene cation c2hf3+  
1619 CHClCCl2 Trichloroethylene chclccl2  
1620 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1621 HClO4 perchloric acid hclo4  
1622 HSO3F Fluorosulfonic acid hso3f  
1623 CF3OH trifluoromethanol cf3oh  
1624 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1625 CHClCCHCl 1,3-dichloroallene chclcchcl  
1626 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1627 CHCl2CHO dichloroacetaldehyde chcl2cho  
1628 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1629 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1630 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1631 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1632 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1633 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1634 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1635 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1636 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1637 NH3BCl3 Amminetrichloroboron nh3bcl3  
1638 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1639 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1640 C3H5ClO Oxirane, (chloromethyl)- c106898  
1641 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1642 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1643 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1644 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1645 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1646 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1647 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1648 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1649 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1650 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1651 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1652 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1653 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1654 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1655 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1656 C4H9F 1-fluorobutane butaf1  
1657 CH3CHFCH2CH3 2-fluorobutane butaf2  
1658 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1659 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1660 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1661 XeF4 Xenon tetrafluoride xef4  
1662 C2H2N2O Furazan furazan  
1663 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1664 NH3BF3 Amminetrifluoroboron nh3bf3  
1665 C6H2 hexatriyne c6h2  
1666 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1667 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1668 C6H4 Benzyne benzyne  
1669 C6H5 phenyl phenyl  
1670 C6H5- phenyl anion phenyl-  
1671 C6H6 Prismane prismane  
1672 C6H6 1,2,4,5-Hexatetraene ht1245  
1673 C6H6 2,4-Hexadiyne hexadiyne  
1674 C6H6 3,4-Dimethylenecyclobutene cb34m  
1675 C6H6 Benzene benzene  
1676 C6H6 Benzvalene bv  
1677 C6H6 Dewar Benzene dewar  
1678 C6H6 Hexa-1,5-diene-3-yne hdy153  
1679 C6H6 Trimethylenecycopropane tmcp  
1680 C6H6+ Benzene cation c6h6+  
1681 C6H7+ benzene, protonated c6h7+  
1682 C6H8 (E)-hexa-1,3,5-triene c821078  
1683 C6H8 (E)-hexa-2,3,4-triene c59660650  
1684 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1685 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1686 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1687 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1688 C6H8 3-Methylenecyclopentene c930267  
1689 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1690 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1691 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1692 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1693 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1694 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1695 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1696 C6H10 1,5-Hexadiene c592427  
1697 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1698 C6H10 1-Hexyne hexyne1  
1699 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1700 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1701 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1702 C6H10 2-Hexyne c764352  
1703 C6H10 3-Hexyne hexyne3  
1704 C6H10 cyclohexene cyclohexene  
1705 C6H10 Cyclopentene, 1-methyl- c693890  
1706 C6H10 Cyclopentene, 3-methyl- c1120623  
1707 C6H10 Cyclopentene, 4-methyl- c1759815  
1708 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1709 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1710 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1711 C6H12 (E)-2-Hexene e2hexene  
1712 C6H12 (E)-3-methylpent-2-ene c616126  
1713 C6H12 (E)-hex-3-ene e3hexene  
1714 C6H12 (Z)-3-methylpent-2-ene c922623  
1715 C6H12 (Z)-hex-2-ene z2hexene  
1716 C6H12 (Z)-hex-3-ene z3hexene  
1717 C6H12 2,3-dimethylbut-1-ene c563780  
1718 C6H12 2,3-dimethyl-but-2-ene tmeet  
1719 C6H12 3-methylenepentane c760214  
1720 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1721 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1722 C6H12 Cyclohexane cyclohexane  
1723 C6H12 Cyclopentane, methyl- c96377  
1724 C6H12 Ethylcyclobutane c4806615  
1725 C6H12 hex-1-ene hexene1  
1726 C6H14 Butane, 2,2-dimethyl- buta22  
1727 C6H14 Butane, 2,3-dimethyl- buta23  
1728 C6H14 Hexane hexane  
1729 C6H14 Pentane, 2-methyl- penta2  
1730 C6H14 Pentane, 3-methyl- penta3  
1731 C4N2 2-Butynedinitrile c4n2  
1732 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1733 C4H2N2 Fumaronitrile c4h2n2  
1734 C2H2N4 sym-tetrazine ttz  
1735 C3H3N3 1,3,5-Triazine triazine135  
1736 CH3N5 5-Aminotetrazole c4418615  
1737 C4H4N2 1,3-Diazine diazine13  
1738 C4H4N2 Pyrazine pyrazine  
1739 C4H4N2 Pyridazine pyridazine  
1740 C4H4N2 Succinonitrile c110612  
1741 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1742 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1743 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1744 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1745 C5H5N E-2,4-pentadienenitrile bdcn  
1746 C5H5N Pyridine pyridine  
1747 B3N3H6 borazine borazine  
1748 C6H6 Fulvene fulvene  
1749 C5H6N+ Pyridinium c5h6n  
1750 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1751 C5H7N (E)-2-Pentenenitrile c26294984  
1752 C5H7N (E)-3-Pentenenitrile c16529661  
1753 C5H7N (Z)-2-Pentenenitrile c25899507  
1754 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1755 C5H7N Cyclobutanecarbonitrile c4426113  
1756 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1757 C5H9N Butanenitrile, 2-methyl- c18936179  
1758 C5H9N Pentanenitrile c110598  
1759 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1760 C6H10 Bicyclo[3.1.0]hexane c285585  
1761 C5H11N Cyclopentanamine cypentam  
1762 C5H11N Piperidine piper  
1763 C4H12N2 1,2-Butanediamine c4426486  
1764 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1765 Li2CO3 Lithium Carbonate li2co3  
1766 Na2CO3 Sodium Carbonate na2co3  
1767 C2O4-- oxalate anion c2o4  
1768 MgSO4 Magnesium Sulfate mgso4  
1769 N2O4 Dinitrogen tetroxide n2o4  
1770 C3H2O3 vinylene carbonate vica  
1771 C2H2O4 Oxalic Acid oxalic  
1772 C2H3NO3 Oxamic acid oxamic  
1773 C4H4O2 2(5H)-Furanone furanone  
1774 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1775 C2H4N2O2 Oxalamide oxalamide  
1776 C2H4N2S2 Ethanedithioamide c79403  
1777 C2H4CO3 Ethylene carbonate etco3  
1778 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1779 C3H4S3 1,3-Dithiolane-2-thione c822388  
1780 C2H4O4 Formic acid dimer fadimer  
1781 C4H5NO 3-Methylisoxazole isox3m  
1782 C4H5NO Isoxazole, 5-methyl- c5765446  
1783 C4H5NS 4-Methylthiazole c693958  
1784 C2H5NO3 Nitric acid, ethyl ester c625581  
1785 C5H6O 2H-Pyran pyran2  
1786 C5H6O 2-methylfuran furan2m  
1787 C5H6O 3-Methylfuran furan3m  
1788 C5H6O Pentadienal pdal  
1789 C5H6S Thiophene, 2-methyl- c554143  
1790 C5H6S Thiophene, 3-methyl- c616444  
1791 C4H6O2 γ–Butyrolactone c96480  
1792 C4H6O2 2,3-Butanedione c431038  
1793 C4H6O2 2-Propenoic acid, methyl ester c96333  
1794 C4H6O2 Crotonic Acid crot  
1795 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1796 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1797 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1798 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1799 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1800 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1801 C4H6OS Vinyl sulfoxide c1115157  
1802 CH6N4S Carbonothioic dihydrazide thiacarb  
1803 C2H6N2O2 (E)-Azodioxymethane c37765154  
1804 C2H6N2O2 Dimethylnitroamine c4164287  
1805 C3H6O3 1,3,5-Trioxane trioxane  
1806 C3H6S3 1,3,5-Trithiane c3h6s3  
1807 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1808 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1809 C4H7NO 2-Pyrrolidinone c616455  
1810 C4H7NO Ethoxyacetonitrile etoaccn  
1811 C4H7NO Methacrylamide c79390  
1812 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1813 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1814 C3H7ONO Propyl nitrite prono  
1815 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1816 CH3CH(NH2)COOH Alanine alanine  
1817 CH3NHCH2COOH Sarcosine sarcosine  
1818 NH2CH2CH2COOH β–alanine betaalanine  
1819 NH2COOC2H5 Urethane urethane  
1820 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1821 C5H8O Cyclopentanone c120923  
1822 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1823 C5H8O Methyl cyclopropyl ketone c765435  
1824 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1825 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1826 NH2CONHC2H5 Urea, ethyl- c625525  
1827 C4H8O2 1,3-Dioxane dioxan13  
1828 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1829 C4H8O2 1,4-Dioxane dioxan14  
1830 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1831 C4H8O2 Ethyl acetate c141786  
1832 C4H8OS s-Ethyl thioacetate c625605  
1833 C3H8O3 1,2,3-Propanetriol glycerin  
1834 C3H8O2S (Methylsulfonyl)ethane c594434  
1835 C4H9NO Butanamide c541355  
1836 C4H9NO Propanamide, 2-methyl- c563837  
1837 C5H10O 2-Butanone, 3-methyl- c563804  
1838 C5H10O 2H-Pyran, tetrahydro- c142687  
1839 C5H10O 2-methylbutyraldehyde 2meba  
1840 C5H10O 2-Pentanone mpk  
1841 C5H10O 3-Pentanone dek  
1842 C5H10O Cyclopentanol c96413  
1843 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1844 C5H10O Pentanal pal  
1845 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1846 C5H10S 3-Ethylthio-1-propene c5296628  
1847 C5H10S Cyclopentanethiol c1679078  
1848 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1849 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1850 C4H10O2 1,1-Dimethoxyethane c534156  
1851 C4H10O2 1,3-Butanediol budiol13  
1852 C4H10O2 1,4-Butanediol budiol14  
1853 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1854 C4H10OS Diethyl sulfoxide c70291  
1855 C4H10S2 1,4-Butanedithiol budisl14  
1856 C4H11NO Diethylhydroxylamine c3710847  
1857 C5H12O 1-Butanol, 2-methyl- c137326  
1858 C5H12O 1-Butanol, 3-methyl- c123513  
1859 C5H12O 1-Pentanol pentanol1  
1860 C5H12O 2-Butanol, 3-methyl- c598754  
1861 C5H12O 2-Pentanol peol2  
1862 C5H12O 3-Pentanol pentan3ol  
1863 C5H12O Butane, 1-methoxy- meobu  
1864 C5H12O Propane, 1-ethoxy- proet  
1865 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1866 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1867 C5H12S 1-Butanethiol, 3-methyl- c541311  
1868 C5H12S 1-Pentanethiol c110667  
1869 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1870 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1871 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1872 C5H12S Butane, 1-(methylthio)- c628295  
1873 C5H12S Ethyl propyl sulfide c4110503  
1874 C5H12S Propane, 2-(ethylthio)- c5145993  
1875 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1876 C4F2 difluorobutadiyne c4f2  
1877 ClCOClCO Oxalyl chloride oxcl  
1878 CF3CN Acetonitrile, trifluoro- cf3cn  
1879 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1880 B2F4 Diboron tetrafluoride b2f4  
1881 B2Cl4 Diboron tetrachloride b2cl4  
1882 C2F4 Tetrafluoroethylene c2f4  
1883 C2F4+ Tetrafluoroethylene cation c2f4+  
1884 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1885 CF2CCl2 difluorodichloroethylene cf2ccl2  
1886 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1887 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1888 C2FCl3 fluorotrichloroethene c2fcl3  
1889 C2Cl4 Tetrachloroethylene c2cl4  
1890 C2Br4 tetrabromoethene c2br4  
1891 CF3OF Trifluoromethylhypofluorite cf3of  
1892 SiF5- silicon pentafluoride anion sif5-  
1893 SOF4 Sulfur tetrafluoride oxide sof4  
1894 PF5 Phosphorus pentafluoride pf5  
1895 AsF5 Arsenic pentafluoride asf5  
1896 PCl5 Phosphorus pentachloride pcl5  
1897 SF5 Sulfur pentafluoride sf5  
1898 SF5+ pentafluoro sulfur cation sf5+  
1899 SbCl5 Antimony pentachloride sbcl5  
1900 BrF5 bromine pentafluoride brf5  
1901 ClF5 chlorinepentafluoride clf5  
1902 IF5 pentafluoroiodine if5  
1903 CF3CHO trifluoroacetaldehyde cf3cho  
1904 CCl3CHO trichloroacetaldehyde ccl3cho  
1905 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1906 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1907 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1908 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1909 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1910 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1911 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1912 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1913 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1914 CF3COOH trifluoroacetic acid cf3cooh  
1915 C4H3ClO Furan, 2-chloro fur2cl  
1916 C4H3ClO Furan,3-chloro fur3cl  
1917 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1918 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1919 C4H8Cl2 1,4-Dichlorobutane c110565  
1920 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1921 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1922 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1923 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1924 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1925 C5H11Cl Pentane, 1-chloro- pencl1  
1926 C4H8O2 Butanoic acid bua  
1927 C6H5CH2 benzyl radical benzyl  
1928 C7H7 cycloheptatrienyl radical c7h7  
1929 C7H7+ cycloheptatrienyl cation c7h7+  
1930 C6H5CH3 toluene toluene  
1931 C7H8 cycloheptatriene cht  
1932 C7H8 Norbornadiene norbor  
1933 C7H8 Quadricyclane qucy  
1934 C7H12 Norbornane nor  
1935 C7H14 cycloheptane c7h14  
1936 C7H16 2-methylhexane 2mhex  
1937 C7H16 3-methylhexane hex3m  
1938 C7H16 heptane heptane  
1939 CH(CN)3 tricyanomethane mecn3  
1940 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1941 C6H7N 2-Methylpyridine mp  
1942 C6H5NH2 aniline aniline  
1943 C6H13N 2-Methylpiperidine pip2m  
1944 C6H13N cyclohexanamine cham  
1945 C6H15N triethylamine tea  
1946 N2O5 Dinitrogen pentoxide n2o5  
1947 C4H2O3 Maleic Anhydride malan  
1948 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1949 C5H4O2 furfural furfural  
1950 C6H5O phenoxy radical phenoxy  
1951 C5H5NO 2(1H)-Pyridinone c72762006  
1952 C5H5NO 2(3H)-Pyridinone c9000048  
1953 C5H5NO 2(5H)-Pyridinone c9000037  
1954 C5H5NO 2-Pyridinol c109104  
1955 C5H5NO 3(2H)-Pyridinone c9000004  
1956 C5H5NO 3(4H)-Pyridinone c9000026  
1957 C5H5NO 3(6H)-Pyridinone c9000015  
1958 C5H5NO 3-Pyridinol c109002  
1959 C5H5NO 4(1H)-Pryidinone c9000060  
1960 C5H5NO 4(3H)-Pryidinone c9000059  
1961 C5H5NO 4-Pyridinol c626642  
1962 C6H5OH phenol phenol  
1963 C6H6O 2,4-Cyclohexadienone c24599573  
1964 C6H6O 2,5-Cyclohexadienone c5664335  
1965 C6H5SH Benzenethiol phsh  
1966 HO2CCHNH2CH2OH Serine serine  
1967 C5H8O2 Acetylacetone acac  
1968 C4H8O2S Sulfolane sulfolane  
1969 C7H10 Norbornene norbornene  
1970 CH(C2H3)3 trivinyl methane tvm  
1971 C6H10O cyclohexanone chexo  
1972 C6H12O hexanal c6h12o  
1973 C6H12O Oxepane oxepane  
1974 C3H7OC3H7 di-n-propyl ether propr  
1975 F2CCCF2 tetrafluoroallene pfa  
1976 CF3COO- trifluoro acetate anion cf3coo-  
1977 CF3COF trifluoroacetyl fluoride cf3cof  
1978 CF3COCl trifluoroacetyl chloride cf3cocl  
1979 PF6 Hexafluorophosphate neutral pf6  
1980 PF6- Hexafluorophosphate ion pf6-  
1981 SF6 Sulfur Hexafluoride sf6  
1982 SeF6 Selenium hexafluoride sef6  
1983 SF5Cl sulfur chloropentafluoride sf5cl  
1984 CF3CHF2 pentafluoroethane cf3chf2  
1985 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1986 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1987 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1988 CCl3CHCl2 pentachloroethane ccl3chcl2  
1989 C6H5F Fluorobenzene bzf  
1990 C6H5Cl chlorobenzene bzcl  
1991 C6H5Br bromobenzene bzbr  
1992 C8H6 Calicene calicene  
1993 C6H5CCH phenylacetylene phac  
1994 C8H6 benzocyclobutadiene bcbd  
1995 C8H6 Pentalene pentalene  
1996 C6H5CHCH2 Styrene styrene  
1997 C8H8 cubane cubane  
1998 C8H8 cyclooctatetraene cot  
1999 C6H5CH2CH3 Ethylbenzene etbz  
2000 CH3C6H4CH3 meta-xylene mxylene  
2001 CH3C6H4CH3 paraxylene pxylene  
2002 C8H14 Bicyclo[2.2.2]octane bico222  
2003 C8H16 cyclooctane cyclooct  
2004 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2005 C8H18 Octane c8h18  
2006 C6H5CN phenyl cyanide phcn  
2007 C6H12N2 Triethylenediamine ted  
2008 C4O4-- squarate dianion c4o4--  
2009 S4N4 Tetrasulfur tetranitride s4n4  
2010 S8 Octasulfur s8  
2011 C6H4O2 parabenzoquinone pbq  
2012 C4H4N2O2 Uracil uracil  
2013 C6H5CHO benzaldehyde benzal  
2014 C6H5OCH3 Anisole anisole  
2015 C5H9NO2 Proline proline  
2016 C6H12O2 Methyl pivalate c598981  
2017 C6H12O2 Hexanoic acid hexa  
2018 C4F4 tetrafluorcyclobutadiene c4f4  
2019 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2020 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2021 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2022 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2023 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2024 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2025 C2F6 hexafluoroethane c2f6  
2026 C2Cl6 hexachloroethane c2cl6  
2027 IF7 Iodine heptafluoride if7  
2028 C6H4F2 metadifluorobenzene mdfb  
2029 C6H4F2 orthodifluorobenzene odfb  
2030 C6H4F2 1,4-difluorobenzene pdfb  
2031 C6H4Cl2 1,2-dichlorobenzene dcb12  
2032 C6H4Cl2 1,3-dichlorobenzene dcb13  
2033 C6H4Cl2 1,4-dichlorobenzene dcb14  
2034 C6H5NO nitrosobenzene bzno  
2035 C9H8 Indene indene  
2036 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2037 C9H12 n-propyl benzene prbz  
2038 C9H20 Nonane nonane  
2039 C(CN)4 tetracyanomethane c5n4  
2040 C5H4N4 purine purine  
2041 C8H7N Indole indole  
2042 C3H3N3O3 cyanuric acid cyanuric  
2043 C6H5NO2 Nitrobenzene c6h5no2  
2044 C6H5COOH benzoic acid benzo  
2045 CH3COC6H5 acetophenone acph  
2046 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2047 C3F6 hexafluoropropene c3f6  
2048 C6H3F3 Benzene trifluoride 123 bzf3a  
2049 C8H18O 1-Octanol octanol  
2050 C10H8 Azulene azu  
2051 C10H8 naphthalene naph  
2052 C10H10 bullvalene bullv  
2053 C10H16 adamantane adamantane  
2054 C6N4 Tetracyanoethylene tcne  
2055 C6N4- tetracyanoethylene anion tcne-  
2056 C10H22 Decane decane  
2057 C4F6 perfluorobutadiene c4f6  
2058 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2059 C3F8 perfluoropropane c3f8  
2060 Fe(CO)5 Iron pentacarbonyl ipc  
2061 Fe(C5H5)2 ferrocene fecp2  
2062 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2063 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2064 C12H8 Acenaphthylene acenaph  
2065 C12H8 biphenylene biph  
2066 C12H10 biphenyl biphenyl  
2067 C12H10 Heptalene heptalene  
2068 C6H12O6 Inositol inositol  
2069 C6F6 hexafluorobenzene c6f6  
2070 S2F10 disulphur decafluoride s2f10  
2071 C13H10 Fluorene fluorene  
2072 C14H10 Anthracene anth  
2073 C14H10 Phenanthrene phenanthrene  
2074 C14H14 Bibenzyl bibenzyl  
2075 C12H10N2 azobenzene azobenzene  
2076 C6H5COC6H5 benzophenone benzophenone  
2077 C16H10 Pyrene pyrene  
2078 C18H12 Tetracene tetracene  
2079 C19H16 Triphenylmethane tpm  
2080 C24H12 Coronene coronene  
2081 C60 Buckminsterfullerene c60