National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XIXIndex of properties
XXH-bond dimers
XXIOddities

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III.F.1. (I.A.4.)

List of which calculations are completed at ROMP2 /aug-cc-pVQZ

Jump to calculations not yet done
count Species Name State Conformation
1 H- Hydrogen atom anion 2SKh
2 Li Lithium atom 2SKh
3 Na Sodium atom 2SKh
4 Be+ Beryllium atom cation 2SKh
5 Mg+ Magnesium atom cation 2SKh
6 B Boron atom 2PKh
7 B Boron atom 4PKh
8 B+ Boron atom cation 1SKh
9 Al Aluminum atom 2PKh
10 AlH2- aluminum dihydride anion 1A1C2v
11 AlH2+ aluminum dihydride cation 1ΣgD∞h
12 BH3+ boron trihydride cation 2E'D3h
13 BH3+ boron trihydride cation 2B2C2v
14 AlH3+ aluminum trihydride cation 2ED3h
15 C Carbon atom 3P0Kh
16 Si Silicon atom 3PKh
17 CH2+ methylene cation 2A1C2v
18 SiH2- silicon dihydride anion 2B1C2v
19 SiH2+ silicon dihydride cation 2A1C2v
20 SiH3- Silyl anion 1A1C3v
21 SiH3+ Silyl cation 1A1'D3h
22 N Nitrogen atom 4SKh
23 N Nitrogen atom 2DKh
24 P Phosphorus atom 4SKh
25 PH2- Phosphino anion 1A1C2v
26 PH2+ Phosphino cation 1A1C2v
27 PH3+ Phosphine cation 2A1C3v
28 O Oxygen atom 3SKh
29 S Sulfur atom 3PKh
30 OH Hydroxyl radical 2ΠC∞v
31 H2S+ Hydrogen sulfide cation 2B1C2v
32 H2Se+ Hydrogen selenide cation 2B1C2v
33 F Fluorine atom 2PKh
34 Cl Chlorine atom 2PKh
35 Ne+ Neon atom cation 2PKh
36 Be2- Beryllium diatomic anion 2ΠuD∞h
37 BC- boron monocarbide anion 3ΠuC∞v
38 SiC- silicon monocarbide anion 2ΣgC∞v
39 SiC+ silicon monocarbide cation 2ΠC∞v
40 C2H3+ vinyl cation 1A1C2V bridging H
41 C2H4- Ethylene anion 2B2gD2h
42 C2H4+ Ethylene cation 2B3uD2h
43 BeN- Beryllium mononitride anion 1ΣC∞v
44 SiP Silicon monophosphide 2ΠC∞v
45 SiP- Silicon monophosphide anion 1ΣC∞v
46 SiP+ Silicon monophosphide cation 3ΣC∞v
47 LiO- lithium oxide anion 1ΣC∞v
48 LiO- lithium oxide anion 3ΣC∞v
49 LiO+ lithium oxide cation 3ΣC∞v
50 BeO- Beryllium monoxide anion 2ΣC∞v
51 BeO+ Beryllium monoxide cation 2ΠC∞v
52 BO- boron monoxide anion 1ΣC∞v
53 NO Nitric oxide 2ΠC∞v
54 O2 Oxygen diatomic 3ΣgD∞h
55 HCO+ Formyl cation 1ΣC∞v
56 HCS+ Thioformyl cation 1ΣC∞v
57 HNO+ Nitrosyl hydride cation 2A'Cs
58 HO2- Hydroperoxy anion 1A'Cs
59 LiF- lithium fluoride anion 2ΣC∞v
60 LiF+ lithium fluoride cation 2ΠC∞v
61 BeF- Beryllium monofluoride anion 1ΣC∞v
62 BeF+ Beryllium monofluoride cation 1ΣC∞v
63 NCl nitrogen monochloride 3ΣC∞v
64 NCl- nitrogen monochloride anion 2ΠC∞v
65 NCl+ nitrogen monochloride cation 2ΠC∞v
66 C3H3+ cyclopropenyl cation 1A1D3h
67 C3H3+ Propargyl cation 1A1C2v
68 N2O- Nitrous oxide anion 2A'Cs
69 CO2+ Carbon dioxide cation 2ΠgD∞h
70 OCS+ Carbonyl sulfide cation 2ΠC∞v
71 NO2- Nitrogen dioxide anion 1A1C2v
72 NO2+ Nitrogen dioxide cation 1ΣGD∞h
73 PO2+ Phosphorus dioxide cation 1ΣGD∞h
74 SO2- Sulfur dioxide anion 2B1C2v
75 SO2+ Sulfur dioxide cation 2A1C2v
76 HOCO+ Hydrocarboxyl cation 1A'Cs
77 HNO2+ nitrous acid cation 2A'Cs
78 CH2CO+ Ketene cation 2B1C2v
79 CF2- Difluoromethylene anion 2B1C2v
80 CF2+ Difluoromethylene cation 2A1C2v
81 CCl2+ dichloromethylene cation 2A1C2v
82 ClOO+ chloroperoxy cation 1A'Cs
83 OClO+ Chlorine dioxide cation 1A1C2v
84 SF2+ sulfur difluoride cation 2B1C2v
85 HCCF+ fluoroacetylene cation 2ΠC∞v
86 C2N2+ Cyanogen cation 2ΠgD∞h
87 SO3- Sulfur trioxide anion 2A1pyramidal
88 SO3- Sulfur trioxide anion 2A2"planar
89 SO3+ Sulfur trioxide cation 2A2'D3h
90 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
91 CCl3+ Trichloromethyl cation 1A1'D3h
92 C3O2+ Carbon suboxide cation 2ΠUD∞h

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 cation h+  
6 D2 Deuterium diatomic d2  
7 H2 Hydrogen diatomic h2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He Helium atom he  
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 anion li-  
19 Li+ Lithium atom cation li+  
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 LiH Lithium Hydride lih  
29 LiH- lithium hydride anion lih-  
30 LiH+ lithium hydride cation lih+  
31 NaH sodium hydride nah  
32 NaH- sodium hydride anion nah-  
33 NaH+ sodium hydride cation nah+  
34 KH Potassium hydride kh  
35 KH+ Potassium hydrogen cation kh+  
36 CuH Copper monohydride cuh  
37 Be Beryllium atom be  
38 Be- Beryllium atom anion be-  
39 Mg Magnesium atom mg  
40 Mg- Magnesium atom anion mg-  
41 Ca Calcium atom ca  
42 Ca- Calcium atom anion ca-  
43 Ca+ Calcium atom cation ca+  
44 Zn Zinc atom zn  
45 Zn- Zinc atom anion zn-  
46 Zn+ Zinc atom cation zn+  
47 BeH beryllium monohydride beh  
48 BeH- berylium monohydride anion beh-  
49 BeH+ beryllium monohydride cation beh+  
50 MgH magnesium monohydride mgh  
51 MgH- magnesium monohydride anion mgh-  
52 MgH+ magnesium monohydride cation mgh+  
53 CaH Calcium monohydride cah  
54 CaH+ Calcium monohydride cation cah+  
55 TiH Titanium monohydride tih  
56 ZnH Zinc monohydride znh  
57 ZnH+ Zinc, protonated znh+  
58 BeH2 beryllium dihydride beh2  
59 BeH2+ Beryllium dihydride cation beh2+  
60 MgH2 magnesium dihydride mgh2  
61 CaH2 Calcium Hydride cah2  
62 ZnH2 Zinc hydride znh2  
63 B- Boron atom anion b-  
64 Al- Aluminum atom anion al-  
65 Al+ Aluminum atom cation al+  
66 Sc Scandium atom sc  
67 Sc+ Scandium cation sc+  
68 Ga Gallium atom ga  
69 Ga- Gallium atom anion ga-  
70 Ga+ Gallium atom cation ga+  
71 BH Boron monohydride bh  
72 BH- boron monohydride anion bh-  
73 BH+ boron monohydride cation bh+  
74 AlH aluminum monohydride alh  
75 AlH- aluminum monohydride anion alh-  
76 AlH+ aluminum monohydride cation alh+  
77 ScH Scandium monohydride sch  
78 ScH+ Scandium monohydride cation sch+  
79 GaH Gallium monohydride gah  
80 GaH+ Gallium monohydride cation gah+  
81 BH2 boron dihydride bh2  
82 BH2- boron dihydride anion bh2-  
83 BH2+ Boron dihydride cation bh2+  
84 AlH2 aluminum dihydride alh2  
85 BH3 boron trihydride bh3  
86 BH3- boron trihydride anion bh3-  
87 AlH3 aluminum trihydride alh3  
88 AlH3- aluminum trihydride anion alh3-  
89 ScH3 Scandium trihydride sch3  
90 GaH3 Gallium trihydride gah3  
91 BH4 borohydride bh4  
92 BH4- borohydride anion bh4-  
93 AlH4- Aluminum tetrahydride anion alh4-  
94 C- Carbon atom anion c-  
95 C+ Carbon atom cation c+  
96 Si- Silicon atom anion si-  
97 Si+ Silicon atom cation si+  
98 Ti Titanium atom ti  
99 Ti- Titanium atom anion ti-  
100 Ti+ Titanium atom cation ti+  
101 Ge Germanium atom ge  
102 Ge- Germanium anion ge-  
103 Ge+ Germanium cation ge+  
104 Sn Tin atom sn  
105 Sn+ Tin cation sn+  
106 CH Methylidyne ch  
107 CH- methylidyne anion ch-  
108 CH+ Methylidyne cation ch+  
109 SiH Silylidyne sih  
110 SiH- silicon monohydride anion sih-  
111 SiH+ silicon monohydride cation sih+  
112 GeH germylidene geh  
113 GeH+ Germaniun monohyrdide cation geh+  
114 CH2 Methylene ch2  
115 CH2- methylene anion ch2-  
116 SiH2 silicon dihydride sih2  
117 GeH2 germylene geh2  
118 GeH2- germylene anion geh2-  
119 CH3 Methyl radical ch3  
120 CH3- methyl anion ch3-  
121 CH3+ methyl cation ch3+  
122 SiH3 Silyl radical sih3  
123 GeH3 Germyl radical geh3  
124 GeH3+ germyl cation geh3+  
125 CD4 methane-d4 cd4  
126 CH2D2 methane-d2 ch2d2  
127 CH3D methane-d ch3d  
128 CH4 Methane ch4  
129 CH4- Methane anion ch4-  
130 CH4+ Methane cation ch4+  
131 CHD3 methane-d3 chd3  
132 SiH2D2 silane-d2 sih2d2  
133 SiH4 Silane sih4  
134 SiH4+ Silane cation sih4+  
135 GeH4 Germane geh4  
136 SnH4 Stannane snh4  
137 SiH5+ Silane, protonated sih5+  
138 N- Nitrogen atom anion n-  
139 N+ Nitrogen atom cation n+  
140 P- Phosphorus atom anion p-  
141 P+ Phosphorus atom cation p+  
142 V Vanadium atom v  
143 V+ Vanadium atom cation v+  
144 As Arsenic atomic as  
145 As- Arsenic anion as-  
146 As+ Arsenic cation as+  
147 Sb Antimony atom sb  
148 NH Imidogen nh  
149 NH- Imidogen anion nh-  
150 NH+ imidogen cation nh+  
151 PH phosphorus monohydride ph  
152 PH- phosphorus monohydride anion ph-  
153 PH+ phosphorus monohydride cation ph+  
154 AsH Arsenic monohydride ash  
155 AsH+ Arsenic monohydride cation ash+  
156 SbH Antimony monohydride sbh  
157 ND2 Amidogen-d2 nd2  
158 NH2 Amino radical nh2  
159 NH2- amino anion nh2-  
160 NH2+ Amino cation nh2+  
161 PH2 Phosphino radical ph2  
162 AsH2 Arsenic dihydride ash2  
163 AsH2+ Arsenic dihydride cation ash2+  
164 ND3 Ammonia-d3 nd3  
165 NH3 Ammonia nh3  
166 NH3- Ammonia anion nh3-  
167 NH3+ ammonia cation nh3+  
168 PH3 Phosphine ph3  
169 AsH3 Arsine ash3  
170 AsH3+ Arsine cation ash3+  
171 SbH3 Stibine sbh3  
172 AsH4+ Arsonium ash4+  
173 NH4 Ammonium radical nh4  
174 NH4+ ammonium cation nh4+  
175 PH4 Phosphoranyl radical ph4  
176 PH4+ phosphonium cation ph4+  
177 O- Oxygen atom anion o-  
178 O+ Oxygen atom cation o+  
179 S- Sulfur atom anion s-  
180 S+ Sulfur atom cation s+  
181 Cr Chromium atom cr  
182 Se Selenium atom se  
183 Se- Selenium atom anion se-  
184 Se+ Selenium atom cation se+  
185 Te Tellurium atom te  
186 Te+ Tellurium atom cation te+  
187 DO Hydroxyl-d od  
188 OH- hydroxide anion oh-  
189 OH+ hydoxyl cation oh+  
190 DS Mercapto-d ds  
191 HS Mercapto radical hs  
192 HS- mercapto anion sh-  
193 HS+ sulfur monohydride cation sh+  
194 CrH Chromium hydride crh  
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 H2O Water h2o  
202 H2O- water anion h2o-  
203 H2O+ water cation h2o+  
204 HDO Water-d1 hdo  
205 D2S Hydrogen sulfide-d2 d2s  
206 H2S Hydrogen sulfide h2s  
207 H2S- Hydrogen sulfide anion h2s-  
208 H2Se Hydrogen selenide h2se  
209 H2Te Hydrogen Telluride h2te  
210 H3O+ hydronium cation h3o+  
211 H3S+ Sulfonium cation h3s+  
212 H3Se+ Hydrogen Selenide, protonated h3se+  
213 F- Fluorine atom anion f-  
214 F+ Fluorine atom cation f+  
215 Cl- Chlorine atom anion cl-  
216 Cl+ Chlorine atom cation cl+  
217 Mn Manganese atom mn  
218 Br Bromine atom br  
219 Br- Bromine atom anion br-  
220 Br+ Bromine atom cation br+  
221 I Iodine atom iodine  
222 I- Iodine atom anion iodine-  
223 I+ Iodine atom cation iodine+  
224 DF Hydrofluoric acid-d df  
225 HF Hydrogen fluoride hf  
226 HF- hydrogen fluoride anion hf-  
227 HF+ hydrogen fluoride cation hf+  
228 DCl Hydrochloric acid-d dcl  
229 HCl Hydrogen chloride hcl  
230 HCl- hydrogen chloride anion hcl-  
231 HCl+ hydrogen chloride cation hcl+  
232 HBr hydrogen bromide hbr  
233 HBr- hydrogen bromide anion hbr-  
234 HBr+ hydrogen bromide cation hbr+  
235 HI Hydrogen iodide hi  
236 HI+ Hydrogen iodide cation hi+  
237 H2F+ dihydrogen fluoride cation h2f+  
238 H2Cl+ dihydrogen monochloride cation h2cl+  
239 H2Br+ protonated hydrogen bromide h2br+  
240 H2I+ Iodonium h2i+  
241 Ne Neon atom ne  
242 Ne- Neon atom anion ne-  
243 Ar Argon atom ar  
244 Ar- Argon atom anion ar-  
245 Ar+ Argon atom cation ar+  
246 Fe Iron atom fe  
247 Kr Krypton atom kr  
248 Kr+ Krypton cation kr+  
249 Xe Xenon atom xe  
250 HeLi+ Helium Lithium cation heli+  
251 NeH neon hydrogen neh  
252 NeH+ neon hydrogen cation neh+  
253 ArH+ Argon hydride cation arh+  
254 KrH+ Protonated Krypton krh+  
255 XeH+ Xenon, protonated xeh+  
256 H2Ar H2 Ar dimer h2ar  
257 Co Cobalt atom cobalt  
258 Ni Nickel atom ni  
259 Li2 Lithium diatomic li2  
260 Li2- lithium diatomic anion li2-  
261 Li2+ lithium diatomic cation li2+  
262 NaLi lithium sodium lina  
263 NaLi- lithium sodium anion lina-  
264 NaLi+ lithium sodium cation lina+  
265 LiK Lithium Potassium lik  
266 Na2 Sodium diatomic na2  
267 Na2- sodium diatomic anion na2-  
268 Na2+ sodium diatomic cation na2+  
269 NaK Sodium Potassium nak  
270 NaK+ Sodium Potassium diatomic cation nak+  
271 K2 Potassium diatomic k2  
272 Cu2 Copper diatomic cu2  
273 LiBe Lithium Beryllium libe  
274 LiMg Lithium magnesium limg  
275 NaBe Sodium Beryllium nabe  
276 NaMg Sodium Magnesium namg  
277 Be2 Beryllium diatomic be2  
278 Be2+ Beryllium diatomic cation be2+  
279 BeMg Beryllium Magnesium bemg  
280 Mg2 Magnesium diatomic mg2  
281 Mg2- magnesium diatomic anion mg2-  
282 Mg2+ magnesium diatomic cation mg2+  
283 Ca2 Calcium diatomic ca2  
284 LiB Lithium boride lib  
285 LiAl Lithium Aluminum lial  
286 NaAl Sodium aluminum naal  
287 BeB Beryllium monoboride beb  
288 B2 Boron diatomic b2  
289 B2- Boron diatomic anion b2-  
290 B2+ Boron diatomic cation b2+  
291 BAl Boron Aluminum bal  
292 Al2 Aluminum diatomic al2  
293 Al2- aluminum diatomic anion al2-  
294 Al2+ aluminum diatomic cation al2+  
295 BGa Boron Gallium bga  
296 AlGa Aluminum Gallium alga  
297 Ga2 Gallium diatomic ga2  
298 HBBH Diborane(2) hbbh  
299 LiBH4 Lithium borohydride libh4  
300 B2H4 Diborane(4) D2d b2h4  
301 HBHHBH Diborane(4) C2V hbhhbh  
302 B2H6 Diborane b2h6  
303 B2H6+ Diborane cation b2h6  
304 Al2H6 dialane al2h6  
305 Ga2H6 digallane ga2h6  
306 LiC Lithium Carbide lic  
307 BeC Beryllium Carbide bec  
308 CaC Calcium monocarbide cac  
309 BC boron monocarbide bc  
310 BC+ boron monocarbide cation bc+  
311 AlC Aluminum carbide alc  
312 BSi Boron silicide bsi  
313 C2 Carbon diatomic c2  
314 C2- carbon diatomic anion c2-  
315 C2+ carbon diatomic cation c2+  
316 SiC silicon monocarbide sic  
317 Si2 Silicon diatomic si2  
318 Si2- silcon diatomic anion si2-  
319 Si2+ silcon diatomic cation si2+  
320 GeC Germanium monocarbide gec  
321 SiGe Silicon Germanium sige  
322 Ge2 Germanium diatomic ge2  
323 C2H Ethynyl radical c2h  
324 C2H- Ethynyl anion c2h-  
325 C2H+ Ethynyl cation c2h+  
326 ZnCH2 Zinc methylene znch2  
327 C2H2 Acetylene c2h2  
328 C2H2+ acetylene cation c2h2+  
329 CCH2 vinylidene vinylidene  
330 H2CC- vinylidene anion h2cc-  
331 HCCH- acetylene anion c2h2-  
332 Si2H2 disilyne si2h2  
333 CH3Li methyl lithium ch3li  
334 CuCH3 monomethyl copper cuch3  
335 ZnCH3 Zinc monomethyl znch3  
336 CH2BH methyleneborane ch2bh  
337 C2H3 vinyl c2h3  
338 C2H3- vinyl anion c2h3-  
339 C2H4 Ethylene c2h4  
340 CH3CH methylmethylene ch3ch  
341 CH2SiH2 silaethylene ch2sih2  
342 Si2H4 Disilene si2h4  
343 CH3BH2 methylborane ch3bh2  
344 C2H5 Ethyl radical c2h5  
345 C2H5- Ethyl anion c2h5-  
346 C2H5+ Ethyl cation c2h5+  
347 C2H6 Ethane c2h6  
348 C2H6+ ethane cation c2h6+  
349 CH3SiH3 methyl silane ch3sih3  
350 Si2H6 disilane si2h6  
351 GeH3CH3 methyl germane geh3ch3  
352 C2H7+ Ethane, protonated c2h7+  
353 LiN Lithium Nitride lin  
354 LiN+ Lithium Nitride cation lin+  
355 LiP Lithium monophosphide lip  
356 BeN Beryllium mononitride ben  
357 BeN+ Beryllium mononitride cation ben+  
358 MgN Magnesium Nitride mgn  
359 BN- boron nitride anion bn-  
360 AlN- aluminum mononitride anion aln-  
361 AlN+ aluminum mononitride cation aln+  
362 BP Boron monophosphide bp  
363 AlP Aluminum monophosphide alp  
364 GaN Gallium mononitride gan  
365 GaP Gallium monophosphide gap  
366 GaAs Gallium arsenide gaas  
367 BN boron nitride bn  
368 BN+ boron nitride cation bn+  
369 AlN Aluminum nitride aln  
370 CN Cyano radical cn  
371 CN- cyanide anion cn-  
372 CN+ Cyano cation cn+  
373 CP Carbon monophosphide cp  
374 CP- carbon monophosphide anion cp-  
375 CP+ carbon monophosphide cation cp+  
376 SiN Silicon nitride sin  
377 SiN- silicon mononitride anion sin-  
378 SiN+ silicon mononitride cation sin+  
379 TiN Titanium mononitride tin  
380 N2 Nitrogen diatomic n2  
381 N2- nitrogen diatomic anion n2-  
382 N2+ diatomic nitrogen cation n2+  
383 PN Phosphorus mononitride pn  
384 PN- phosphorus nitride anion pn-  
385 PN+ phosphorus nitride cation pn+  
386 P2 Phosphorus diatomic p2  
387 P2- phosphorus diatomic anion p2-  
388 P2+ phosphorus diatomic cation p2+  
389 AsN Arsenic mononitride asn  
390 AsP Arsenic monophosphide asp  
391 SbN Antimony nitride sbn  
392 As2 Arsenic diatomic as2  
393 HNB hydrogen nitrogen boron hnb  
394 HNC hydrogen isocyanide hnc  
395 HCN Hydrogen cyanide hcn  
396 HCN- Hydrogen cyanide anion hcn-  
397 HCN+ hydrogen cyanide cation hcn+  
398 HNC+ hydrogen isocyanide cation hnc+  
399 HCP Phosphaethyne hcp  
400 HCP+ Phosphaethyne cation hcp+  
401 NNH Dinitrogen monohydride nnh  
402 NNH+ Dinitrogen monohydride cation nnh+  
403 HPO Hydrogen phosphorus oxide hpo  
404 HPO+ Hydrogen phosphorus oxide cation hpo+  
405 LiNH2 lithium amide linh2  
406 HBNH Boranimine hbnh  
407 CNH2 Aminomethylidyne radical cnh2  
408 CNH2+ N-protonated hydrogen isocyanide cnh2+  
409 H2CN Dihydrogen cyanide radical h2cn  
410 H2CN+ hydrocyanonium cation h2cn+  
411 HCNH methyleneazane hcnh  
412 HCNH+ N-protonated HCN hcnh+  
413 H2NN Isodiazene h2nn  
414 N2H2 (E)-diazene n2h2  
415 N2H2 (Z)-Diazene n2h2z  
416 N2H2+ trans-diazene cation n2h2+  
417 CH2NH Methanimine ch3n  
418 CH2NH+ Methanimine cation ch2nh+  
419 CHNH2 aminomethylene chnh2  
420 CHNH2+ Aminocarbene cation chnh2+  
421 CH2PH Phosphaethene ch3p  
422 BH2NH2 Boranamine bh2nh2  
423 CH2NH2+ methyleneamine cation ch2nh2+  
424 N2H4 Hydrazine n2h4  
425 N2H4+ hydrazine cation n2h4+  
426 P2H4 Diphosphine p2h4  
427 CH3NH2 methyl amine ch3nh2  
428 CH3NH2+ methyl amine cation ch3nh2+  
429 CH3PH2 Methyl phosphine ch3ph2  
430 SiH3NH2 Silane, amino sih3nh2  
431 N2H5+ protonated hydrazine n2h5+  
432 BH3PH3 borane phosphine bh3ph3  
433 BH3NH3 borane ammonia bh3nh3  
434 CH3NH3 methyl ammonium radical ch3nh3  
435 CH3NH3+ protonated methylamine ch3nh3+  
436 CH3PH3+ methyl phosphine, protonated ch3ph3+  
437 NH3NH3 Ammonia Dimer nh3nh3  
438 N2H7+ ammonia ammonium dimer n2h7+  
439 LiO lithium oxide lio  
440 LiS Lithium monosulfide lis  
441 LiS+ Lithium sulfide cation lis+  
442 NaO sodium monoxide nao  
443 NaO- sodium oxide anion nao-  
444 NaO+ sodium oxide cation nao+  
445 KO Potassium monoxide ko  
446 KO+ Potassium monoxide cation ko+  
447 NaS Sodium sulfide nas  
448 CuO Copper Monoxide cuo  
449 LiSe Lithium monoselenide lise  
450 BeO beryllium oxide beo  
451 BeS beryllium sulfide bes  
452 MgO magnesium oxide mgo  
453 MgO- magnesium oxide anion mgo-  
454 MgO+ magnesium oxide cation mgo+  
455 CaO Calcium monoxide cao  
456 MgS magnesium sulfide mgs  
457 MgS- magnesium sulfide anion mgs-  
458 MgS+ magnesium sulfide cation mgs+  
459 CaS Calcium sulfide cas  
460 ZnO zinc monoxide zno  
461 ZnS Zinc sulfide zns  
462 BeS- Beryllium monosulfide anion bes-  
463 BeS+ Beryllium monosulfide cation bes+  
464 BO boron monoxide bo  
465 AlO Aluminum monoxide alo  
466 AlO- Aluminum monoxide anion alo-  
467 AlO+ aluminum monoxide cation alo+  
468 BS boron sulfide bs  
469 BS- boron monosulfide anion bs-  
470 BS+ boron monosulfide cation bs+  
471 AlS Aluminum sulfide als  
472 AlS- aluminum monosulfide anion als-  
473 AlS+ aluminum monosulfide cation als+  
474 ScO Scandium monoxide sco  
475 GaO Gallium monoxide gao  
476 GaS Gallium monosulfide gas  
477 BO+ boron monoxide cation bo+  
478 CO Carbon monoxide co  
479 CO- carbon monoxide anion co-  
480 CO+ carbon monoxide cation co+  
481 CS carbon monosulfide cs  
482 CS- carbon monosulfide anion cs-  
483 CS+ carbon monosulfide cation cs+  
484 SiO Silicon monoxide sio  
485 SiO- silicon monoxide anion sio-  
486 SiO+ silicon monoxide cation sio+  
487 SiS silicon monosulfide sis  
488 SiS- silicon monosulfide anion sis-  
489 SiS+ silicon monosulfide cation sis+  
490 TiO Titanium monoxide tio  
491 CSe Carbon monoselenide cse  
492 CSe- Carbon monoselenide anion cse-  
493 CSe+ Carbon monoselenide cation cse+  
494 GeO Germanium monoxide geo  
495 GeO+ Germanium monoxide cation geo+  
496 GeS Germanium monosulfide ges  
497 SiSe Silicon Monoselenide sise  
498 SiSe+ Silicon Monoselenide cation sise+  
499 GeSe Germanium monoselenide gese  
500 NO- nitric oxide anion no-  
501 NO+ nitric oxide cation no+  
502 NS Mononitrogen monosulfide ns  
503 NS- nitrogen sulfide anion ns-  
504 NS+ nitrogen sulfide cation ns+  
505 PO Phosphorus monoxide po  
506 PO- phosphorus monoxide anion po-  
507 PO+ phosphorus monoxide cation po+  
508 PS phosphorus sulfide ps  
509 PS- phosphorus monosulfide anion ps-  
510 PS+ phosphorus monosulfide cation ps+  
511 VO Vanadium monoxide vo  
512 AsO Arsenic monoxide aso  
513 NSe Nitrogen monoselenide nse  
514 AsS Arsenic monosulfide ass  
515 PSe Phosphorus monoselenide pse  
516 AsSe Arsenic monoselenide asse  
517 O2- oxygen diatomic anion o2-  
518 O2-- dioxygen dianion o2--  
519 O2+ diatomic oxygen cation o2+  
520 SO Sulfur monoxide so  
521 SO- sulfur monoxide anion so-  
522 SO+ sulfur monoxide cation so+  
523 S2 Sulfur diatomic s2  
524 S2- sulfur diatomic anion s2-  
525 S2+ sulfur diatomic cation s2+  
526 SeO Selenium monoxide seo  
527 SeO- selenium monoxide anion seo-  
528 SeO+ selenium monoxide cation seo+  
529 SeS Selenium monosulfide ses  
530 SeS- selenium monosulfide anion ses-  
531 SeS+ selenium monosulfide cation ses+  
532 TeO Tellurium monoxide teo  
533 Se2 Selenium diatomic se2  
534 Se2- selenium diatomic anion se2-  
535 Se2+ selenium diatomic cation se2+  
536 Te2 Tellurium diatomic te2  
537 LiOH lithium hydroxide lioh  
538 NaOH sodium hydroxide naoh  
539 KOH Potassium hydroxide koh  
540 BeOH beryllium monohydroxide beoh  
541 MgOH magnesium hydroxide mgoh  
542 CaOH Calcium monohydroxide caoh  
543 HBO Boron hydride oxide hbo  
544 HBS hydrogen boron sulfide hbs  
545 COH Hydroxymethylidyne coh  
546 COH+ Carbon Monoxide, protonated coh+  
547 HCO Formyl radical hco  
548 HCO- formyl anion hco-  
549 HCS Thioformyl radical hcs  
550 HCS- Thioformyl anion hcs-  
551 HNO Nitrosyl hydride hno  
552 HNO- Nitrosyl hydride anion hno-  
553 NOH Hydroxyimidogen noh  
554 NOH+ O-protonated nitric oxide noh+  
555 HNS Sulfur imide hns  
556 HNS- Sulfur imide anion hns-  
557 HO2 Hydroperoxy radical ho2  
558 HO2+ Hydroperoxy cation ho2+  
559 HSO+ Sulfur Monoxide, S-protonated HSO+  
560 SOH Sulfur Hydroxide soh  
561 SOH+ Sulfur Monoxide, protonated soh+  
562 HS2 Thiosulfeno radical hs2  
563 H2CO Formaldehyde h2co  
564 H2CO- formaldehyde anion h2co-  
565 H2CO+ formaldehyde cation h2co+  
566 HOCH hydroxycarbene hoch  
567 H2CS Thioformaldehyde h2cs  
568 H2CS- thioformaldehyde anion h2cs-  
569 H2CS+ thioformaldehyde cation h2cs+  
570 H2CSe Selenoformaldehyde h2cse  
571 H2NO nitroxide h2no  
572 H2O2 Hydrogen peroxide h2o2  
573 H2O2+ Hydrogen peroxide cation h2o2+  
574 H2OO water oxide h2oo  
575 HOSH hydrogen thioperoxide hosh  
576 H2S2 Disulfane h2s2  
577 H2S2+ hydrogen disulfide cation h2s2+  
578 H2Se2 hydrogen diselenide h2se2  
579 CH2OH Hydroxymethyl radical ch2oh  
580 CH2OH+ hydroxymethyl cation ch2oh+  
581 CH3O Methoxy radical ch3o  
582 CH3O- methoxy anion ch3o-  
583 CH3O+ Methoxy cation ch3o+  
584 CH3S thiomethoxy ch3s  
585 H2CSH+ Thioformaldehyde, protonated h2csh+  
586 NH2OH hydroxylamine nh2oh  
587 NH2OH+ Hydroxylamine cation nh2oh+  
588 NH3O Ammonia Oxide nh3o  
589 H2POH Phosphinous acid h2poh  
590 H3PO Phosphine oxide h3po  
591 NH2SH Thiohydroxylamine nh2sh  
592 NH3S sulfidoazane nh3s  
593 H3O2+ hydrogen peroxide, protonated h3o2+  
594 CH3OH Methyl alcohol ch3oh  
595 CH3OH- Methyl alcohol anion ch3oh-  
596 CH3OH+ Methyl alcohol cation ch3oh+  
597 CH3SH Methanethiol ch3sh  
598 CH3SH+ Methanethiol cation ch3sh+  
599 SiH3OH silanol sih3oh  
600 CH3SeH Methane selenol ch3seh  
601 NH2OH2+ protonated hydroxylamine nh2oh2+  
602 NH3OH+ N-protonated hydroxylamine nh3oh+  
603 H2OH2O water dimer h2oh2o  
604 CH3OH2+ Methanol, protonated ch3oh2+  
605 CH3SH2+ protonated methylsulfide ch3sh2+  
606 H2ONH3 Water Ammonia Dimer h2onh3  
607 H5O2+ Dihydroxonium ion h5o2+  
608 LiF lithium fluoride lif  
609 LiCl lithium chloride licl  
610 LiCl- lithium chloride anion licl-  
611 LiCl+ lithium chloride cation licl+  
612 NaF sodium fluoride naf  
613 NaF- sodium fluoride anion naf-  
614 NaF+ sodium fluoride cation naf+  
615 KF Potassium Fluoride kf  
616 NaCl Sodium Chloride nacl  
617 NaCl- sodium chloride anion nacl-  
618 NaCl+ sodium chloride cation nacl+  
619 KCl Potassium Chloride kcl  
620 CuF Copper monofluoride cuf  
621 LiBr Lithium Bromide libr  
622 LiBr- lithium bromide anion libr-  
623 LiBr+ lithium bromide cation libr+  
624 CuCl Copper monochloride cucl  
625 NaBr Sodium Bromide nabr  
626 NaBr- sodium bromide anion nabr-  
627 NaBr+ sodium bromide cation nabr+  
628 KBr Potassium Bromide kbr  
629 LiI Lithium Iodide lii  
630 NaI Sodium Iodide nai  
631 KI Potassium Iodide ki  
632 BeF Beryllium monofluoride bef  
633 BeCl beryllium monochloride becl  
634 MgF Magnesium monofluoride mgf  
635 MgF- magnesium fluoride anion mgf-  
636 MgF+ magnesium fluoride cation mgf+  
637 CaF Calcium monofluoride caf  
638 MgCl magnesium monochloride mgcl  
639 MgCl- magnesium monochloride anion mgcl-  
640 MgCl+ magnesium monochloride cation mgcl+  
641 CaCl calcium monochloride cacl  
642 TiCl Titanium Monochloride ticl  
643 ZnF Zinc monofluoride znf  
644 ZnF- Zinc monofluoride anion znf-  
645 ZnF+ Zinc monofluoride cation znf+  
646 ZnCl Zinc monochloride zncl  
647 CaBr Calcium monobromide cabr  
648 BeCl- beryllium monochloride anion becl-  
649 BeCl+ beryllium monochloride cation becl+  
650 BF Boron monofluoride bf  
651 BF- Boron monofluoride anion bf-  
652 BF+ Boron monofluoride cation bf+  
653 AlF Aluminum monofluoride alf  
654 AlF- Aluminum monofluoride anion alf-  
655 AlF+ Aluminum monofluoride cation alf+  
656 BCl boron monochloride bcl  
657 BCl- boron monochloride anion bcl-  
658 BCl+ boron monochloride cation bcl+  
659 AlCl Aluminum monochloride alcl  
660 AlCl- aluminum monochloride anion alcl-  
661 AlCl+ aluminum monochloride cation alcl+  
662 ScF Scandium monofluoride scf  
663 BBr Boron monobromide bbr  
664 GaF Gallium monofluoride gaf  
665 GaF+ Gallium monofluoride cation gaf+  
666 AlBr Aluminum monobromide albr  
667 GaCl Gallium monochloride gacl  
668 GaCl+ Gallium monochloride cation gacl+  
669 AlI Aluminum monoiodide ali  
670 GaBr Gallium monobromide gabr  
671 CF Fluoromethylidyne cf  
672 CF- carbon monofluoride anion cf-  
673 CF+ carbon monofluoride cation cf+  
674 CCl carbon monochloride ccl  
675 CCl- carbon monochloride anion ccl-  
676 CCl+ carbon monochloride cation ccl+  
677 SiF silicon monofluoride sif  
678 SiF- silicon monofluoride anion sif-  
679 SiF+ silicon monofluoride cation sif+  
680 SiCl Clorosilylidyne sicl  
681 SiCl- silicon monochloride anion sicl-  
682 SiCl+ silicon monochloride cation sicl+  
683 CBr Carbon monobromide cbr  
684 GeF Germanium monofluoride gef  
685 GeF+ Germanium monofluoride cation gef+  
686 GeCl Germanium monochloride gecl  
687 GeCl+ Germanium monochloride cation gecl+  
688 SiBr Silicon monobromide sibr  
689 SiBr+ Silicon monobromide cation sibr+  
690 NF nitrogen fluoride nf  
691 NF- nitrogen monofluorine anion nf-  
692 NF+ nitrogen monofluoirde cation nf+  
693 PF phosphorus monofluoride pf  
694 PF- phosphorus monofluoride anion pf-  
695 PF+ phosphorus monofluoride cation pf+  
696 PCl phosphorus chloride pcl  
697 PCl- phosphorus monochloride anion pcl-  
698 PCl+ phosphorus monochloride cation pcl+  
699 AsF Arsenic monofluoride asf  
700 NBr nitrogen monobromide nbr  
701 AsCl Arsenic monochloride ascl  
702 PBr Phosphorus monobromide pbr  
703 SbF Antimony monofluoride sbf  
704 SbCl Antimony monochloride sbcl  
705 FO Oxygen monofluoride fo  
706 FO- flourine oxide anion fo-  
707 FO+ fluorine monoxide cation fo+  
708 ClO Monochlorine monoxide clo  
709 ClO- chlorine monoxide anion clo-  
710 ClO+ chlorine monoxide cation clo+  
711 SF Monosulfur monofluoride sf  
712 SF- sulfur monofluoride anion sf-  
713 SF+ sulfur monofluoride cation sf+  
714 SCl sulfur monochloride scl  
715 SCl- sulfur monochloride anion scl-  
716 SCl+ sulfur monochloride cation scl+  
717 BrO Bromine monoxide bro  
718 BrO- Bromine monoxide anion bro-  
719 BrO+ Bromine monoxide cation bro+  
720 SeF Selenium monofluoride sef  
721 SBr Sulfur monobromide radical sbr  
722 SBr+ Sulfur monobromide cation sbr+  
723 SeCl Selenium monochloride secl  
724 IO Iodine monoxide io  
725 SeBr Selenium monobromide sebr  
726 BrCl Bromine monochloride brcl  
727 F2 Fluorine diatomic f2  
728 F2- flourine diatomic anion f2-  
729 F2+ flourine diatomic cation f2+  
730 ClF Chlorine monofluoride clf  
731 ClF- clorine monofluoride anion clf-  
732 ClF+ clorine monofluoride cation clf+  
733 Cl2 Chlorine diatomic cl2  
734 Cl2- chlorine diatomic anion cl2-  
735 Cl2+ chlorine diatomic cation cl2+  
736 BrF Bromine monofluoride brf  
737 BrF- bromine fluoride anion brf-  
738 BrF+ bromine fluoride cation brf+  
739 BrCl- bromine chloride anion brcl-  
740 BrCl+ bromine chloride cation brcl+  
741 IF Iodine monofluoride if  
742 Br2 Bromine diatomic br2  
743 Br2- bromine diatomic anion br2-  
744 Br2+ bromine diatomic cation br2+  
745 ICl Iodine monochloride icl  
746 IBr Iodine monobromide ibr  
747 I2 Iodine diatomic i2  
748 I2+ Iodine diatomic cation i2+  
749 HCF Fluoromethylene hcf  
750 HCCl Chloromethylene hccl  
751 HSiF fluorosilylene hsif  
752 HSiCl Chlorosilylene hsicl  
753 HSiBr monobromosilylene hsibr  
754 CHBr bromomethylene chbr  
755 HOF Hypofluorous acid hfo  
756 DOCl Hypochlorous acid-d docl  
757 HOCl hypochlorous acid hocl  
758 HOCl+ hypochlorous acid cation hocl+  
759 HOBr Hypobromous acid hobr  
760 HOBr+ Hypobromous acid cation hobr+  
761 HOI Hypoiodous acid hoi  
762 F2H+ Fluorine, protonated f2h+  
763 FHF Hydrogen difluoride fhf  
764 FHF- Hydrogen difluoride anion fhf-  
765 ClFH+ Chlorine fluoride, F-protonated clfh+  
766 FClH+ Chlorine fluoride, Cl-protonated fclh+  
767 Cl2H+ Chlorine, protonated cl2h+  
768 CH2Br bromomethyl radical ch2br  
769 CH2F fluoromethyl radical ch2f  
770 CH2F+ fluoromethyl cation ch2f+  
771 CH2Cl+ chloromethyl cation ch2cl+  
772 CH2Cl chloromethyl radical ch2cl  
773 NH2F monofluoroamine nh2f  
774 NH2Cl chloramine nh2cl  
775 H2F2 Hydrogen fluoride dimer h2f2  
776 CH3F+ methyl fluoride cation ch3f+  
777 CD3F methylfluoride-d3 cd3f  
778 CH3F Methyl fluoride ch3f  
779 CD3Cl methyl chloride d3 cd3cl  
780 CH3Cl Methyl chloride ch3cl  
781 CH3Cl+ Methyl chloride cation ch3cl+  
782 SiH3F monofluorosilane sih3f  
783 SiH3Cl chlorosilane sih3cl  
784 CH3Br methyl bromide ch3br  
785 GeH3F monofluorogermane geh3f  
786 GeH3Cl monochlorogermane geh3cl  
787 SiH3Br bromosilane sih3br  
788 CH3I methyl iodide ch3i  
789 SiH3I Silyl Iodide sih3i  
790 NH3Cl+ protonated monochloroammonia nh3cl+  
791 CH3ClH+ methyl chloride, protonated ch3clh+  
792 NH4Cl Ammonium chloride nh4cl  
793 LiNe+ Lithium Neon cation line+  
794 Ne2 Neon diatomic ne2  
795 Ne2+ Neon diatomic cation ne2+  
796 Ar2 Argon diatomic ar2  
797 Ar2+ Argon diatomic cation ar2+  
798 Li3 Lithium trimer li3  
799 Li3+ Lithium trimer cation li3+  
800 C3 carbon trimer c3  
801 C3+ carbon trimer cation c3+  
802 SiC2 Silicon dicarbide sic2  
803 C3H3 cyclopropenyl radical cpr  
804 C3H3 Propargyl radical propargyl  
805 C3H3- Propargyl anion c3h3-  
806 C3H4 cyclopropene cprop  
807 CH2CCH2 allene allene  
808 CH3CCH propyne propyne  
809 C3H5 Allyl radical allyl  
810 C3H5+ Allyl cation allyl+  
811 CH3CHCH 1-propenyl radical ch3chch  
812 Zn(CH3)2 dimethyl zinc dmz  
813 C3H6 Cyclopropane c3h6  
814 CH2CHCH3 Propene propene  
815 C3H7 n-Propyl radical npropyl  
816 C3H7+ cyclopropane, protonated c3h7+  
817 CH3CHCH3 Isopropyl radical isopropyl  
818 CH3CHCH3+ Isopropyl cation prop2yl+  
819 C3H8 Propane propane  
820 SiH2(CH3)2 dimethylsilane dms  
821 Si3H8 trisilane si3h8  
822 LiCN lithium cyanide licn  
823 NaCN Sodium Cyanide nacn  
824 KCN Potassium cyanide kcn  
825 CuCN Copper cyanide cucn  
826 ZnCN Zinc monocyanide zncn  
827 ZnNC Zinc isocyanide znnc  
828 AlCN Aluminum monocyanide alcn  
829 AlNC Aluminum isocyanide alnc  
830 CN2 3H-Diazirin-3-ylidene cn2  
831 CNN Diazocarbene cnn  
832 NCN Cyanoimidogen ncn  
833 N3 azide radical n3  
834 N3- azide anion n3-  
835 N3+ azide cation n3+  
836 HCCN cyanomethylene hccn  
837 HCNN diazomethyl radical hcnn  
838 HN3 hydrogen azide hn3  
839 HN3+ Hydrazoic acid cation hn3+  
840 HNCNH diiminomethane hncnh  
841 CH2N2 diazirine ch2n2  
842 CH2NN diazomethane ch2nn  
843 NH2CN cyanamide cyanamide  
844 HNNNH+ 1,2-Triazadienium n2h3+  
845 NH2NN+ hydrazoic acid, protonated nh2nn+  
846 CH3CN Acetonitrile ch3cn  
847 CH3CN- acetonitrile anion ch3cn-  
848 CH3CN+ Acetonitrile cation ch3cn+  
849 CH3NC methyl isocyanide ch3nc  
850 CHNCH2 2H-Azirine c157164  
851 CHNHCH 1H-Azirine chnhch  
852 H2CCNH Ethenimine ch2cnh  
853 H2CNCH methyleneaminomethylene ch2nch  
854 HCCNH2 Ethynamine hccnh2  
855 HCNCH2+ 2H-Azirine cation hcnch2+  
856 HNCNH2+ diiminomethane, protonated hncnh2+  
857 NCNH3+ Cyanamide, protonated ncnh3+  
858 NH2CNH+ cyanamide, cn protonated nh2cnh+  
859 NH3CN+ cyanamide, amine protonated nh3cn+  
860 CH2CHNH vinylazine ch2chnh  
861 CH3CHN methylmethaniminyl radical ch3chn  
862 NHCHNH2 aminomethanimine cn2h4  
863 C2H5N Aziridine c2h5n  
864 CH2CHNH2 aminoethene aminoethene  
865 CH2NCH3 N-methylmethanimine nmm  
866 CH3CHNH ethanimine ethanimine  
867 NH2BHNH2 diaminoborane nh2bhnh2  
868 C2H5NH+ Protonated Aziridine c2h5nh+  
869 C2H6N+ aziridine, protonated c2h6n+  
870 NH2CH2NH2 diaminomethane nh2ch2nh2  
871 CH3CH2NH2 Ethylamine etam  
872 CH3NHCH3 Dimethylamine ch3nhch3  
873 CH3PHCH3 dimethylphosphine ch3phch3  
874 NH2CH2NH3+ diaminoethane, protonated pdam  
875 (CH3)2NH2+ dimethylammonium cation dmam  
876 CH3CH2NH3+ ethylamine, protonated pea  
877 Li2O dilithium oxide li2o  
878 Li2O+ dilithium oxide cation li2o+  
879 Li2S dilithium sulfide li2s  
880 Na2O disodium monoxide na2o  
881 Na2S Sodium sulfide na2s  
882 LiO2 Lithium dioxide lio2  
883 NaO2 Sodium superoxide nao2  
884 CCO Dicarbon monoxide cco  
885 CNO- fulminate cno-  
886 NCO isocyanato radical nco  
887 NCO- cyanate nco-  
888 SCN thiocyanato radical scn  
889 SCN- thiocyanide anion scn-  
890 BO2 Boron dioxide bo2  
891 BO2- Boron dioxide anion bo2-  
892 BO2+ Boron dioxide cation bo2+  
893 N2O Nitrous oxide n2o  
894 N2O+ Nitrous oxide cation n2o+  
895 NNS Nitrogen sulfide nns  
896 PPO Phosphorus oxide phosphide ppo  
897 CO2 Carbon dioxide co2  
898 CO2- Carbon dioxide anion co2-  
899 OCS Carbonyl sulfide cos  
900 SiO2 silicon dioxide sio2  
901 CS2 Carbon disulfide cs2  
902 CS2- Carbon disulfide anion cs2-  
903 CS2+ Carbon disulfide cation cs2+  
904 TiO2 Titanium dioxide tio2  
905 SiS2 Silicon disulfide sis2  
906 GeO2 Germanium dioxide geo2  
907 OCSe Carbonyl selenide ocse  
908 SCSe Carbon sulfide selenide scse  
909 GeS2 Germanium disulfide ges2  
910 CSe2 Carbon diselenide cse2  
911 SCTe Carbon sulfide Telluride scte  
912 NO2 Nitrogen dioxide no2  
913 NSO sulfinyl amidogen NSO  
914 PO2 Phosphorus dioxide po2  
915 PO2- Phosphorus dioxide anion po2-  
916 SNO Nitrogen oxide sulfide sno  
917 AsO2 Aresenic dioxide aso2  
918 O3 Ozone o3  
919 O3- Ozone anion o3-  
920 O3+ Ozone cation o3+  
921 SO2 Sulfur dioxide so2  
922 SSO Disulfur monoxide sso  
923 S3 Sulfur trimer s3  
924 S3- Sulfur trimer anion s3-  
925 S3+ Sulfur trimer cation s3+  
926 SeO2 Selenium dioxide seo2  
927 SeO2+ Selenium dioxide cation seo2+  
928 TeO2 Tellurium Dioxide teo2  
929 HCCO ketenyl radical ketenyl  
930 CS2H+ Carbon disulfide, protonated cs2h+  
931 HCNO fulminic acid hcno  
932 HNCO Isocyanic acid hnco  
933 HOCN cyanic acid hocn  
934 HNCS Isothiocyanic acid hncs  
935 HSCN thiocyanic acid hscn  
936 HCO2- formate anion hco2-  
937 HNNO nitrosoazane hnno  
938 HNNO+ Nitrous oxide, N-protonated hnno+  
939 NNOH+ Nitrous Oxide, O-protonated nnoh+  
940 HCOO formate neutral radical hcoo  
941 HOCO Hydrocarboxyl radical hoco  
942 HNO2 Nitrous acid hno2  
943 O3H+ protonated ozone o3h+  
944 SO2H+ protonated sulfur dioxide so2h+  
945 C2H2O Oxirene oxirene  
946 CH2CO Ketene ch2co  
947 HCCOH ethynol hccoh  
948 CH2CS Thioketene ch2cs  
949 Be(OH)2 Beryllium hydroxide beo2h2  
950 Mg(OH)2 Magnesium dihydroxide h2mgo2  
951 NH2NO Nitrosamide nh2no  
952 CH2O2 Dioxirane diox  
953 H2COO Dioxymethyl radical h2coo  
954 H2COO+ dioxymethyl cation h2coo+  
955 HCOOH Formic acid ch2o2  
956 H2O3 Hydrogen trioxide h2o3  
957 HSSSH trisulfane hsssh  
958 NaOCH3 Sodium methoxide naoch3  
959 CH2BOH hydroxy(methylene)borane ch2boh  
960 BH3CO Borane carbonyl bh3co  
961 CH3BO Borane, methyloxo- ch3bo  
962 CH2CHO Vinyloxy radical ch2cho  
963 CH2COH+ ketene, protonated ch2coh+  
964 CH3CO Acetyl radical ch3co  
965 CH3CO- Acetyl anion ch3co-  
966 CH3CO+ acetyl cation ch3co+  
967 CH2NOH formaldoxime ch2noh  
968 CH3NO nitrosomethane ch3no  
969 CHONH2 formamide formamide  
970 CNOH3 1,2-oxaziridine cnoh3  
971 HOCHNH hydroxymethylimine hochnh  
972 CHSNH2 thioformamide chsnh2  
973 NHCHSH Methanimidothioic acid nhchsh  
974 CH2OOH CH2OOH radical ch2ooh  
975 CH3OO methylperoxy radical ch3oo  
976 CH3OO- methylperoxy anion ch3oo-  
977 CH3OO+ methylperoxy cation ch3oo+  
978 C2H4O Ethylene oxide c2h4o  
979 C2H4O+ ethylene oxide cation c2h4o+  
980 CH2CHOH ethenol ch2choh  
981 CH3CHO Acetaldehyde ch3cho  
982 CH3CHO+ acetaldehyde cation ch3cho+  
983 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
984 C2H4S Thiirane thiirane  
985 CH2CHSH Ethenethiol ch2chsh  
986 CH3CHS Thioacetaldehyde ch3chs  
987 H2CONH2+ protonated formamide h2conh2+  
988 NH2CHOH+ Formamide, O-protonated nh2choh+  
989 NH3CHO+ Formamide, N-Protonated nh3cho+  
990 CH2(OH)2 methanediol ch2o2h2  
991 CH3OOH Methyl peroxide ch3ooh  
992 CH3SSH Hydrogen methyl disulfide ch3ssh  
993 HSCH2SH Methanedithiol ch4s2  
994 H2OH2CO water formaldehyde dimer h2oh2co  
995 C2H4OH+ ethylene oxide, protonated c2h4oh+  
996 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
997 CH3CH2O Ethoxy radical ethoxy  
998 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
999 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1000 CH3OCH2 methoxymethyl radical ch3och2  
1001 NH2CH2OH aminomethanol nh2ch2oh  
1002 CH3CH2OH Ethanol etoh  
1003 CH3OCH3 Dimethyl ether meome  
1004 CH3CH2SH ethanethiol etsh  
1005 CH3SCH3 Dimethyl sulfide mesme  
1006 CH3SCH3+ dimethyl sulfide cation mesme+  
1007 CH3SeCH3 dimethylselenide dmse  
1008 CH3OHH2O methanol water dimer ch3ohh2o  
1009 H2OCH3OH water methanol dimer h2och3oh  
1010 CuF2 Copper difluoride cuf2  
1011 ZnF2 Zinc difluoride znf2  
1012 CNF iso cyanogen fluoride cnf  
1013 FCN Cyanogen fluoride fcn  
1014 ClCN chlorocyanogen clcn  
1015 BrCN Cyanogen bromide brcn  
1016 ICN Cyanogen iodide icn  
1017 FBO Boron monofluoride monoxide fbo  
1018 BeF2 Beryllium fluoride bef2  
1019 MgF2 Magnesium fluoride mgf2  
1020 BeCl2 Beryllium chloride becl2  
1021 MgCl2 Magnesium dichloride mgcl2  
1022 CaCl2 Calcium Chloride cacl2  
1023 ZnCl2 Zinc dichloride zncl2  
1024 BeBr2 Beryllium bromide bebr2  
1025 CaBr2 Calcium dibromide cabr2  
1026 CaF2 Calcium difluoride caf2  
1027 FCO Carbonyl fluoride fco  
1028 FCO+ Carbonyl fluoride cation fco+  
1029 ClCO carbonyl monochloride clco  
1030 BF2 Boron difluoride radical bf2  
1031 FNO Nitrosyl fluoride fno  
1032 ClNO Nitrosyl chloride clno  
1033 FNS Thionitrosyl fluoride fns  
1034 FSN Thiazyl fluoride fsn  
1035 OPCl Phosphorus oxychloride opcl  
1036 BrNO Nitrosyl bromide brno  
1037 INO Nitrosyl iodide ino  
1038 CF2 Difluoromethylene cf2  
1039 CFCl chlorofluoromethylene cfcl  
1040 SiF2 Silicon difluoride sif2  
1041 SiF2+ Silicon difluoride cation sif2+  
1042 CCl2 dichloromethylene ccl2  
1043 CCl2- dichloromethylene anion ccl2-  
1044 SiCl2 Dichlorosilylene sicl2  
1045 GeF2 Germanium difluoride gef2  
1046 GeCl2 Germanium dichloride gecl2  
1047 CBr2 dibromomethylene cbr2  
1048 FOO Dioxygen monofluoride radical foo  
1049 FOO+ Fluorine dioxide cation foo+  
1050 ClOO chloroperoxy radical cloo  
1051 OClO Chlorine dioxide oclo  
1052 OClO- Chlorine dioxide anion oclo-  
1053 ClSO Sulfur chloride oxide clso  
1054 ClS2 Sulfur chloride cls2  
1055 BrOO Bromine dioxide broo  
1056 OBrO Bromine dioxide radical obro  
1057 NF2 Difluoroamino radical nf2  
1058 NF2+ Difluoroamino cation nf2+  
1059 PF2 Phosphorus difluoride pf2  
1060 PF2+ Phosphorus difluoride cation pf2+  
1061 FClO chlorosyl fluoride fclo  
1062 F2O Difluorine monoxide f2o  
1063 ClOF Chlorine hypofluorite clof  
1064 SF2 sulfur difluoride sf2  
1065 SF2- sulfur difluoride anion sf2-  
1066 Cl2O Dichlorine monoxide cl2o  
1067 SCl2 Sulfur dichloride scl2  
1068 SeF2 Selenium difluoride sef2  
1069 BrOCl Bromine hypochlorite brocl  
1070 SeCl2 Selenium Dichloride secl2  
1071 SBr2 Sulfur dibromide sbr2  
1072 SeBr2 Selenium dibromide sebr2  
1073 BrOBr Bromine oxide brobr  
1074 F3- trifluoride anion f3-  
1075 Cl3- trichloride anion cl3-  
1076 Br3- tribromide anion br3-  
1077 I3- triiodide i3-  
1078 SFCl Sulfur chloride fluoride sfcl  
1079 HCCF Fluoroacetylene hccf  
1080 HCCCl Chloroacetylene hcccl  
1081 HCCBr bromoacetylene hccbr  
1082 HFCO formyl fluoride hfco  
1083 HFCO+ formyl fluoride cation hfco+  
1084 COHCl Formyl chloride cohcl  
1085 COHBr Formyl bromide cohbr  
1086 BHF2 Difluoroborane bhf2  
1087 BHCl2 Borane, dichloro- bhcl2  
1088 CHCl2 dichloromethyl radical chcl2  
1089 CHF2 difluoromethyl radical chf2  
1090 CHF2+ difluoromethyl cation chf2+  
1091 CHFCl Chlorofluoromethyl radical chfcl  
1092 CHFCl+ Chlorofluoromethyl cation chfcl+  
1093 CHCl2+ dichloromethyl cation chcl2+  
1094 CHBr2 dibromomethyl radical chbr2  
1095 HOClO Chlorous acid hoclo  
1096 NHF2 difluoramine nhf2  
1097 NHCl2 dichloroamine nhcl2  
1098 CH2F2 Methane, difluoro- ch2f2  
1099 CH2FCl fluorochloromethane ch2fcl  
1100 SiH2F2 difluorosilane sih2f2  
1101 CH2Cl2 Methylene chloride ch2cl2  
1102 CH2BrF Methane, bromofluoro- ch2fbr  
1103 CH2BrCl Methane, bromochloro- ch2clbr  
1104 CH2FI fluoroiodomethane ch2fi  
1105 CH2Br2 dibromomethane ch2br2  
1106 CH2ClI chloroiodomethane ch2cli  
1107 CH2BrI bromoiodomethane ch2bri  
1108 CH2I2 Diiodomethane ch2i2  
1109 SiH2Cl2 dichlorosilane sih2cl2  
1110 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1111 CH2CHF Ethene, fluoro- ch2chf  
1112 CH2CHF+ fluoroethene cation ch2chf+  
1113 C2H3Cl Ethene, chloro- ch2chcl  
1114 C2H3Br vinyl bromide c2h3br  
1115 C2H3I Vinyl iodide c2h3i  
1116 CH2FOH fluoromethanol ch2foh  
1117 CH3OCl methyl hypochlorite ch3ocl  
1118 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1119 CHClCH3 1-chloroethyl radical chclch3  
1120 C2H5F fluoroethane c2h5f  
1121 CH3CH2Cl Ethyl chloride c2h5cl  
1122 CH3SiFH2 fluoromethylsilane ch3sifh2  
1123 C2H5Br Ethyl bromide etbr  
1124 C2H5I Ethyl iodide c2h5i  
1125 KrF2 Krypton difluoride krf2  
1126 XeF2 Xenon difluoride xef2  
1127 B4H10 Tetraborane(10) b4h10  
1128 C4 Carbon tetramer c4  
1129 C4+ Carbon tetramer cation c4+  
1130 C4H2 Diacetylene c4h2  
1131 C4H2+ diacetlyene cation c4h2+  
1132 C2H3CCH 1-Buten-3-yne c2h3cch  
1133 C4H4 cyclobutadiene cbd  
1134 C4H4 Tetrahedrane c4h4  
1135 H2CCCCH2 Butatriene h2cccch2  
1136 C4H6 1-Methylcyclopropene c3100047  
1137 C4H6 Cyclobutene c822355  
1138 C4H6 Methylenecyclopropane c6142730  
1139 CH2CCHCH3 1,2-Butadiene butad12  
1140 CH2CHCHCH2 1,3-Butadiene c106990  
1141 CH3CCCH3 2-Butyne c503173  
1142 CHCCH2CH3 1-Butyne c107006  
1143 CH3CHCHCH2 methylallyl radical c4h7  
1144 C4H8 methylcyclopropane mcp  
1145 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1146 CH2CHCH2CH3 1-Butene bute1  
1147 CH3CHCHCH3 2-Butene, (E)- bute2e  
1148 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1149 B(CH3)3 trimethylborane bme3  
1150 Al(CH3)3 trimethyl aluminum tma  
1151 C(CH3)3 Tert-butyl radical tbutyl  
1152 CH2CH(CH3)2 Isobutyl radical isobutyl  
1153 CH3CHCH2CH3 2-Butyl radical butyl2  
1154 CH3CH(CH3)CH3 Isobutane isobutane  
1155 CH3CH2CH2CH3 Butane butane  
1156 SiH(CH3)3 trimethylsilane trimsi  
1157 Li3N trilithium nitride li3n  
1158 C2N2 Cyanogen c2n2  
1159 P4 Phosphorus tetramer p4  
1160 As4 Arsenic tetramer as4  
1161 HCCCN Cyanoacetylene hcccn  
1162 HCCCN+ Cyanoacetylene cation hcccn+  
1163 H2CNCN cyanamide, methylene ch2ncn  
1164 HNCCNH Ethenediimine hnccnh  
1165 C3H3N acrylonitrile ch2chcn  
1166 C3H3N+ acrylonitrile cation ch2chcn+  
1167 CH3N3 methyl azide ch3n3  
1168 NH2CCNH2 Diaminoacetylene daa  
1169 NH2CH2CN Aminoacetonitrile aan  
1170 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1171 C2H5CN ethyl cyanide c2h5cn  
1172 CH5N3 Guanidine guanidine  
1173 C4H6 Bicyclo[1.1.0]butane c157335  
1174 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1175 H2NCHCHNH2 diaminoethylene dae  
1176 CH6N3+ guanidinium ch6n3+  
1177 C3H7N Cyclopropylamine cpram  
1178 CH7N3 triaminomethane tam  
1179 C3H7N Azetidine azet  
1180 C4H8 cyclobutane cbutane  
1181 C2H8N2 Ethylenediamine ethdiam  
1182 CH3NHNHCH3 dimethyl hydrazine dmh  
1183 CH3CH(NH2)CH3 2-Propanamine pram2  
1184 N(CH3)3 Trimethylamine trimeam  
1185 NH2CH2CH2CH3 1-Propanamine pram1  
1186 P(CH3)3 trimethylphosphine tmp  
1187 N(SiH3)3 trisilylamine tsa  
1188 As(CH3)3 trimethyl arsine tmas  
1189 (CH3)3NH+ protonated trimethyl amine ptma  
1190 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1191 Li2O2 dilithium dioxide li2o2  
1192 Na2O2 disodium dioxide na2o2  
1193 K2O2 dipotassium dioxide k2o2  
1194 C3O Tricarbon monoxide c3o  
1195 B2O2 Diboron dioxide b2o2  
1196 ONNO NO dimer onno  
1197 S2N2 Disulfur dinitride s2n2  
1198 CO3 Carbon trioxide co3  
1199 CO3-- carbonate co3--  
1200 CS3-- Carbonotrithioate cs3--  
1201 NO3 Nitrogen trioxide no3  
1202 NO3- nitrate anion no3-  
1203 NO3+ nitrogen trioxide cation no3+  
1204 SO3 Sulfur trioxide so3  
1205 SO3-- Sulfate dianion so3--  
1206 SeO3 selenium trioxide seo3  
1207 S4 Sulfur tetramer s4  
1208 TeO3 Tellurium trioxide teo3  
1209 HCO3- bicarbonate anion hco3-  
1210 HNO3 Nitric acid hno3  
1211 HSO3 Hydroxysulfonyl radical hso3  
1212 NH2NO2 nitramide nh2no2  
1213 C2H2CO cyclopropenone c2h2co  
1214 C3H2O Propadienal c3h2o  
1215 HCCCHO 2-propynal hcccho  
1216 C2H2O2 Ethanedial c2h2o2  
1217 C2H2O2+ Ethanedial cation c2h2o2+  
1218 H2CO3 Carbonic acid h2co3  
1219 H2CS3 thiocarbonic acid h2cs3  
1220 H2NO3+ Nitric Acid, Protonated h2no3+  
1221 H2SO3 Sulfurous acid h2so3  
1222 C2H3NO Nitrosoethylene c2h3no  
1223 CH3NCO methylisocyante ch3nco  
1224 HOCH2CN cyanomethanol hoch2cn  
1225 CH3COO- acetate anion ch3coo-  
1226 CH3NO2 Methane, nitro- ch3no2  
1227 CH3ONO Methyl nitrite ch3ono  
1228 NH2COOH Carbamic acid nh2cooh  
1229 H3BO3 Boric acid h3bo3  
1230 H3AlO3 Aluminum hydroxide h3alo3  
1231 H3CO3+ carbonic acid, protonated h3co3+  
1232 C3H4O 2-Propyn-1-ol c107197  
1233 C3H4O allenol c9000071  
1234 C3H4O Cyclopropanone cpone  
1235 C3H4O Methylketene c6004440  
1236 CH2CHCHO Acrolein c3h4o  
1237 NH2CONH2 Urea urea  
1238 NH2CONH2+ Urea cation urea+  
1239 NH2CSNH2 Thiourea thiourea  
1240 C2H4O2 1,3-dioxetane c2h4o2  
1241 CH3COOH Acetic acid ch3cooh  
1242 CH3OCHO methyl formate ch3ocho  
1243 CHOCH2OH hydroxy acetaldehyde haa  
1244 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1245 NH3COOH+ protonated Carbamic acid nh3cooh+  
1246 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1247 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1248 HCOOHH2O Formic acid water dimer hcoohh2o  
1249 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1250 CH3COCH2 Acetonyl radical ch3coch2  
1251 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1252 CH3C(OH)=NH Ethaninidic acid eia  
1253 CH3CHNOH Acetaldoxime acetaldoxime  
1254 CH3CONH2 Acetamide acetamide  
1255 HCONHCH3 N-methylformamide nmfa  
1256 CH3CSNH2 Ethanethioamide ch3csnh2  
1257 CH5N2O+ urea, N-protonated ch4n2o+  
1258 H2NCOHNH2+ urea, protonated ureah+  
1259 C2H5OO ethylperoxy radical c2h5oo  
1260 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1261 C3H5OH Cyclopropanol cproh  
1262 C3H6O 2-Propen-1-ol c107186  
1263 C3H6O Acetone enol enol  
1264 C3H6O Oxetane oxetane  
1265 C3H6O Propylene oxide prox  
1266 CH3CH2CHO Propanal propanal  
1267 CH3COCH3 Acetone acetone  
1268 CH3COCH3- acetone anion ch3coch3-  
1269 C3H6S Thietane thietane  
1270 C3H6S Thiirane, methyl- methiirane  
1271 CH3CSCH3 Thioacetone ch3csch3  
1272 C2H6O2 1,2-Ethanediol ethdiol  
1273 CH3OOCH3 dimethylperoxide dmp  
1274 CH3SOCH3 Dimethyl sulfoxide dmso  
1275 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1276 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1277 CH3COHCH3+ acetone, protonated acetoneh+  
1278 HOCH2CH2NH2 monoethanolamine mea  
1279 C3H7OH 1-Propanol proh  
1280 CH3CHOHCH3 Isopropyl alcohol isoproh  
1281 CH3OC2H5 Ethane, methoxy- etome  
1282 C3H7SH 1-Propanethiol prsh  
1283 CH3CHSHCH3 2-Propanethiol isoprsh  
1284 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1285 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1286 Li2F2 Lithium fluoride dimer li2f2  
1287 Na2F2 Sodium Fluoride Dimer na2f2  
1288 Na2Cl2 Disodium dichloride na2cl2  
1289 C2F2 difluoroacetylene c2f2  
1290 C2Cl2 dichloroacetylene c2cl2  
1291 FNO2 Nitryl fluoride fno2  
1292 FONO Nitrosyl hypofluorite fono  
1293 ClNO2 Nitryl chloride clno2  
1294 ClONO chlorine nitrite clono  
1295 BrONO Bromine nitrite brono  
1296 N2F2 (Z)-Difluorodiazene n2f2_z  
1297 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1298 CF2O Carbonic difluoride f2co  
1299 CF2O+ Carbonic difluoride cation f2co+  
1300 COFCl Carbonic chloride fluoride cofcl  
1301 CCl2O Phosgene cl2co  
1302 Cl2CS Thiophosgene cl2cs  
1303 COBr2 Carbonic dibromide cobr2  
1304 BF3 Borane, trifluoro- bf3  
1305 BF3- Borane, trifluoro- anion bf3-  
1306 BF3+ boron trifluoride cation bf3+  
1307 AlF3 Aluminum trifluoride alf3  
1308 BClF2 Chlorodifluoroborane bclf2  
1309 AlF2Cl Aluminum chloride difluoride alclf2  
1310 ScF3 Scandium trifluoride ScF3  
1311 AlFCl2 Aluminum dichloride fluoride alcl2f  
1312 BCl3 Borane, trichloro- bcl3  
1313 BCl3+ Boron Trichloride cation bcl3+  
1314 GaF3 Gallium trifluoride gaf3  
1315 AlCl3 Aluminum trichloride alcl3  
1316 GaCl3 Gallium trichloride gacl3  
1317 BBr3 Boron tribromide bbr3  
1318 AlBr3 Aluminum Bromide albr3  
1319 ClO3 Chlorine trioxide clo3  
1320 ClO3- chlorate anion clo3-  
1321 BrO3- Bromate anion bro3-  
1322 CF3 Trifluoromethyl radical cf3  
1323 CF3- Trifluoromethyl anion cf3-  
1324 CF3+ Trifluoromethyl cation cf3+  
1325 CF2Cl difluorochloromethyl radical cf2cl  
1326 SiF3 Silicon trifluoride radical sif3  
1327 SiF3+ Silicon trifluoride cation sif3+  
1328 CFCl2 dichlorofluoromethyl radical cfcl2  
1329 CCl3 Trichloromethyl radical ccl3  
1330 CCl3- Trichloromethyl anion ccl3-  
1331 SiCl3 trichlorosilyl radical sicl3  
1332 SiCl3+ trichlorosilyl cation sicl3+  
1333 CBr3 tribromomethyl radical cbr3  
1334 FOOF Perfluoroperoxide foof  
1335 ClO2F Chloryl fluoride clo2f  
1336 F2SO Thionyl Fluoride f2so  
1337 ClOOCl Dichlorine dioxide cloocl  
1338 FSSF Difluorodisulfane fssf  
1339 S2F2 Thio-thionyl fluoride s2f2  
1340 SOCl2 thionyl chloride socl2  
1341 SSCl2 Thiothionyl chloride sscl2  
1342 SeOCl2 selenium oxychloride seocl2  
1343 NF3 Nitrogen trifluoride nf3  
1344 NF3- Nitrogen trifluoride anion nf3-  
1345 NF3+ Nitrogen trifluoride cation nf3+  
1346 PF3 Phosphorus trifluoride pf3  
1347 NCl3 nitrogen trichloride ncl3  
1348 AsF3 Arsenic trifluoride asf3  
1349 PCl3 Phosphorus trichloride pcl3  
1350 SbF3 Antimony Trifluoride sbf3  
1351 AsCl3 Arsenous trichloride ascl3  
1352 SbCl3 Antimony Trichloride sbcl3  
1353 NBr3 Nitrogen Tribromide nbr3  
1354 PBr3 Phosphorus tribromide pbr3  
1355 AsBr3 Arsenic tribromide asbr3  
1356 NI3 Nitrogen triiodide ni3  
1357 PI3 Phosphorus triiodide pi3  
1358 ClSSCl Disulfur dichloride s2cl2  
1359 SF3 Sulfur trifluoride sf3  
1360 ClF3 Chlorine trifluoride clf3  
1361 BrF3 Bromine trifluoride brf3  
1362 IF3 iodone trifluoride if3  
1363 HClO3 Chloric Acid hclo3  
1364 CHF3 Methane, trifluoro- chf3  
1365 CHF2Cl difluorochloromethane chf2cl  
1366 SiHF3 trifluorosilane sihf3  
1367 CHFCl2 fluorodichloromethane chfcl2  
1368 CDCl3 trichloromethane-d cdcl3  
1369 CHCl3 Chloroform chcl3  
1370 CHBrF2 Methane, bromodifluoro- chbrf2  
1371 SiHCl3 Trichlorosilane sihcl3  
1372 CHFClBr fluorochlorobromomethane chfclbr  
1373 CHBrCl2 Methane, bromodichloro- chbrcl2  
1374 CHF2I difluoroiodomethane chf2i  
1375 CHBr2F dibromofluoromethane chbr2f  
1376 CHFClI fluorochloroiodomethane chfcli  
1377 CHCl2I dichloroiodomethane chcl2i  
1378 CHClBr2 Methane, dibromochloro- chclbr2  
1379 CHBr3 bromoform chbr3  
1380 CHI3 Iodoform chi3  
1381 NF3H+ protonated nitrogen trifluoride nf3h+  
1382 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1383 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1384 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1385 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1386 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1387 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1388 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1389 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1390 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1391 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1392 C2H2Br2 1,1-dibromoethene c2h2br2  
1393 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1394 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1395 CH2FCHO Fluoroacetaldehyde ch2fcho  
1396 CH3COF Acetyl fluoride ch3cof  
1397 CH2ClCHO chloroacetaldehyde ch2clcho  
1398 CH3COCl Acetyl Chloride ch3cocl  
1399 C2H4F2 1,2-difluoroethane c2h4f2  
1400 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1401 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1402 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1403 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1404 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1405 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1406 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1407 CH2CFCH3 2-fluoropropene 2fpro  
1408 CH2CHCH2F Allyl Fluoride allylf  
1409 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1410 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1411 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1412 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1413 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1414 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1415 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1416 CH2FCH2CH3 1-Fluoropropane prf1  
1417 CH3CHFCH3 2-Fluoropropane prf2  
1418 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1419 CH3CHClCH3 Propane, 2-chloro- prcl2  
1420 CH3CH2CH2Br n-propyl bromide prbr  
1421 CH3CHBrCH3 i-propyl bromide iprbr  
1422 C3H9O+ trimethyl oxonium cation c3h9o+  
1423 B5H9 pentaborane9 b5h9  
1424 C5H4 pentatetraene ptrene  
1425 C5H5 cyclopentadienyl radical c5h5  
1426 C5H5- cylopentadienyl anion c5h5-  
1427 C5H6 1,3-Cyclopentadiene c542927  
1428 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1429 C5H6 3-Penten-1-yne, (E)- c2004695  
1430 C5H6 3-Penten-1-yne, (Z)- c1574409  
1431 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1432 C5H6 Cyclopropylacetylene c6746947  
1433 C5H6 Propellane propellane  
1434 C5H7 1,3-pentadienyl radical pdyl  
1435 C5H7 cyclopentenyl radical cpyl  
1436 C5H8 1,2-Butadiene, 3-methyl- c598254  
1437 C5H8 1,2-Pentadiene c591957  
1438 C5H8 1,3-Butadiene, 2-methyl- c78795  
1439 C5H8 1,3-Pentadiene, (E)- c2004708  
1440 C5H8 1,3-Pentadiene, (Z)- c1574410  
1441 C5H8 1,4-Pentadiene c591935  
1442 C5H8 1-pentyne a1pentyne  
1443 C5H8 2,3-Pentadiene c591968  
1444 C5H8 Bicyclo[1.1.1]pentane bcp  
1445 C5H8 Cyclobutane, methylene- c1120565  
1446 C5H8 Cyclopentene c142290  
1447 C5H8 Ethenylcyclopropane c693867  
1448 CH3CCCH2CH3 2-Pentyne 2pentyne  
1449 C5H10 1-Butene, 2-methyl- c563462  
1450 C5H10 2-Butene, 2-methyl- c513359  
1451 C5H10 2-Pentene, (E)- c646048  
1452 C5H10 2-Pentene, (Z)- c627203  
1453 C5H10 Cyclopentane c287923  
1454 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1455 CH2CHCH2CH2CH3 1-pentene pentene  
1456 C5H11 2-Methylbut-2-yl radical c4348350  
1457 C5H12 Butane, 2-methyl- buta2  
1458 C5H12 Pentane pentane  
1459 C5H12 Propane, 2,2-dimethyl- neopentane  
1460 Si(CH3)4 tetramethylsilane tms  
1461 N2O3 Dinitrogen trioxide n2o3  
1462 C3H2N2 Malononitrile c3h2n2  
1463 CH2N4 1H-Tetrazole 1htz  
1464 C3H3N2 imidazolyl radical im  
1465 C3H3N2- imidizolyl anion im-  
1466 C2H3N3 1H-1,2,4-Triazole c288880  
1467 C4H4N pyrrolide radical c4h4n  
1468 C4H4N- pyrrolide anion c4h4n-  
1469 C3H4N2 1H-Imidazole 1himidaz  
1470 C3H4N2 1H-Pyrazole 1hpyraz  
1471 C3H4N2 2H-Imidazole imid2h  
1472 C3H4N2 4H-Imidazole imid4h  
1473 C4H5N (E)-2-Butenenitrile c627269  
1474 C4H5N (Z)-2-Butenenitrile c1190767  
1475 C4H5N 2H-pyrrole pyrrole2  
1476 C4H5N 3H-pyrrole pyrrole3  
1477 C4H5N Cyclopropanecarbonitrile c5500210  
1478 C4H5N Pyrrole pyrrole  
1479 CH2CHCH2CN Allylcyanide ch2chch2cn  
1480 C4H6N+ pyrrole, alpha-protonated appyr  
1481 C4H6N+ pyrrole, beta-protonated bppyr  
1482 C4H6N+ pyrrole, protonated ppyr  
1483 C3H6N2 3-Aminopropionitrile c151188  
1484 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1485 CH3CH2CH2CN Butanenitrile c109740  
1486 C5H8 Bicyclo[2.1.0]pentane c185944  
1487 C5H8 Spiropentane c157404  
1488 C4H9N Cyclobutylamine cbam  
1489 C4H9N Pyrrolidine pyrrolidine  
1490 C3H10N2 1,2-Diaminopropane diampr12  
1491 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1492 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1493 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1494 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1495 NH(C2H5)2 diethylamine dea  
1496 NC4H12+ tetramethyl ammonium cation nc4h12+  
1497 C3O2 Carbon suboxide c3o2  
1498 B2O3 diboron trioxide b2o3  
1499 MgCO3 Magnesium Carbonate mgco3  
1500 BeCO3 Beryllium Carbonate beco3  
1501 CaCO3 Calcium Carbonate caco3  
1502 ONONO Nitrosyl nitrite onono  
1503 PO4--- phosphate po4---  
1504 SO4-- sulfate so4--  
1505 HOONO2 peroxy nitric acid hoono2  
1506 HSO4- bisulfate anion hso4-  
1507 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1508 C3H2O2 Propiolic acid c3h2o2  
1509 CHOCOOH oxo acetic acid oaa  
1510 CHOOCHO diformyl ether choocho  
1511 H2SO4 Sulfuric acid h2so4  
1512 H2SeO4 Selenic acid h2seo4  
1513 C3H3NO Isoxazole isox  
1514 C3H3NO Oxazole oxazole  
1515 C3H3NS Thiazole thiazole  
1516 CH3C(O)OO acetyl peroxy radical ch3coo2  
1517 CH3NO3 Methyl nitrate ch3no3  
1518 H3PO4 Phosphoric Acid h3po4  
1519 C4H4O Furan furan  
1520 C4H4O+ Furan cation furan+  
1521 CH3COCCH 3-butyn-2-one c1423605  
1522 C4H4S Thiophene furans  
1523 C4H4Se selenophene c4h4se  
1524 C3H4O2 β–Propiolactone beta  
1525 C3H4O2 2-Propenoic acid propenoic2  
1526 C3H4O2 Methyl glyoxal megly  
1527 C3H4O2 propanedial propanedial  
1528 C3H4O2 propenalol propenalol  
1529 HOCHCCHOH allenediol aldiol  
1530 C2H4O3 1,2,3-trioxolane c2h4o3  
1531 C2H4O3 trioxolane124 triox  
1532 HOCH2COOH Hydroxyacetic acid hac  
1533 CH2CHCONH2 Acrylamide c79061  
1534 CH3OCH2CN Methoxyacetonitrile c1738369  
1535 CH5N3S Hydrazinecarbothioamide c79196  
1536 H2NCH2COOH Glycine glycine  
1537 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1538 C4H6O cis-2-butenal butenal2c  
1539 C4H6O Cyclobutanone cbutone  
1540 C4H6O Furan, 2,3-dihydro- furan23h  
1541 C4H6O Furan, 2,5-dihydro- furan25h  
1542 CH2CHOCHCH2 Vinyl ether vinylether  
1543 CHOCHCHCH3 2-Butenal butenal2  
1544 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1545 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1546 CH2CHSCHCH2 Divinyl sulfide divis  
1547 C2H6N2O Urea, methyl- c598505  
1548 C3H6O2 1,3-Dioxolane dioxolane  
1549 CH3CH2COOH Propanoic Acid propanoic  
1550 CH3COOCH3 methyl acetate aame  
1551 HCOOC2H5 Ethyl formate faee  
1552 C2H6O2S Dimethyl sulfone c67710  
1553 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1554 C3H7NO dimethylformamide dmf  
1555 C3H7NO Propanamide propanam  
1556 C2H3OC2H5 Ethene, ethoxy- c109922  
1557 C4H8O Cyclobutanol c2919235  
1558 C4H8O Furan, tetrahydro- thf  
1559 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1560 CH3COCH2CH3 2-Butanone buta2one  
1561 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1562 CHOCH2CH2CH3 Butanal butanal  
1563 C4H8S Thiophene, tetrahydro- tht  
1564 C3H8O2 1,3-Propanediol c504632  
1565 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1566 C3H8O2 Methane, dimethoxy- c109875  
1567 C3H8O2 Propylene glycol c57556  
1568 C3H8S2 1,3-Propanedithiol c109808  
1569 C4H10O 1-Butanol butanol1  
1570 C4H10O 1-Propanol, 2-methyl- c78831  
1571 C4H10O 2-Butanol, (.+/-.)- butanol2  
1572 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1573 C4H10O Ethoxy ethane etoet  
1574 C4H10O Methyl propyl ether meopr  
1575 C4H10O Propane, 2-methoxy- c598538  
1576 C4H10O+ 1-Butanol cation butanol1+  
1577 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1578 C2H5SC2H5 Diethyl sulfide etset  
1579 C4H9SH 1-Butanethiol bush  
1580 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1581 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1582 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1583 FNO3 Fluorine nitrate fno3  
1584 ClONO2 Chlorine nitrate clono2  
1585 BrONO2 Bromine nitrate brono2  
1586 TiCl4 Titanium tetrachloride ticl4  
1587 ClO4- perchlorate anion clo4-  
1588 BF4- tetrafluoroboron anion bf4-  
1589 ClFO3 Perchloryl fluoride clfo3  
1590 SO2F2 Sulfuryl fluoride so2f2  
1591 SO2Cl2 Sulfuryl chloride so2cl2  
1592 F3NO Nitrogen trifluoride oxide f3no  
1593 F3PO Phosphoryl fluoride pf3o  
1594 Cl3PO Phosphoryl chloride pcl3o  
1595 CF4 Carbon tetrafluoride cf4  
1596 CF3Cl Methane, chlorotrifluoro- cf3cl  
1597 SiF4 Silicon tetrafluoride sif4  
1598 CF2Cl2 difluorodichloromethane cf2cl2  
1599 TiF4 Titanium tetrafluoride tif4  
1600 CFCl3 Trichloromonofluoromethane cfcl3  
1601 CF3Br Bromotrifluoromethane cf3br  
1602 GeF4 Germanium tetrafluoride gef4  
1603 CCl4 Carbon tetrachloride ccl4  
1604 CCl4+ Carbon tetrachloride cation ccl4+  
1605 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1606 SiCl4 Silane, tetrachloro- sicl4  
1607 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1608 CF3I trifluoroiodomethane cf3i  
1609 CBrCl3 Methane, bromotrichloro- cbrcl3  
1610 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1611 GeCl4 Germanium Tetrachloride gecl4  
1612 CBr2ClF dibromochlorofluoromethane cbr2clf  
1613 CBr2Cl2 dibromodichloromethane cbr2cl2  
1614 CCl3I trichloroiodomethane ccl3i  
1615 CFBr3 fluorotribromomethane cfbr3  
1616 CFClBrI fluorochlorobromoiodomethane cfclbri  
1617 CBr3Cl tribromochloromethane cbr3cl  
1618 CF2I2 difluorodiiodomethane cf2i2  
1619 CBr4 Carbon tetrabromide cbr4  
1620 CCl2I2 dichlorodiiodomethane ccl2i2  
1621 SiBr4 Silicon tetrabromide sibr4  
1622 CBr3I tribromoiododmethane cbr3i  
1623 GeBr4 Germanium tetrabromide gebr4  
1624 CI4 tetraiodomethane ci4  
1625 SiI4 silicon tetraiodide sii4  
1626 ClOF3 Chlorine trifluoride oxide clof3  
1627 SF4 Sulfur tetrafluoride sf4  
1628 SeF4 Selenium tetrafluoride sef4  
1629 SCl4 Sulfur tetrachloride scl4  
1630 C2HF3 Trifluoroethylene c2hf3  
1631 C2HF3+ Trifluoroethylene cation c2hf3+  
1632 CHClCCl2 Trichloroethylene chclccl2  
1633 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1634 HClO4 perchloric acid hclo4  
1635 HSO3F Fluorosulfonic acid hso3f  
1636 CF3OH trifluoromethanol cf3oh  
1637 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1638 CHClCCHCl 1,3-dichloroallene chclcchcl  
1639 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1640 CHCl2CHO dichloroacetaldehyde chcl2cho  
1641 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1642 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1643 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1644 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1645 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1646 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1647 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1648 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1649 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1650 NH3BCl3 Amminetrichloroboron nh3bcl3  
1651 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1652 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1653 C3H5ClO Oxirane, (chloromethyl)- c106898  
1654 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1655 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1656 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1657 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1658 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1659 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1660 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1661 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1662 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1663 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1664 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1665 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1666 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1667 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1668 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1669 C4H9F 1-fluorobutane butaf1  
1670 CH3CHFCH2CH3 2-fluorobutane butaf2  
1671 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1672 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1673 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1674 XeF4 Xenon tetrafluoride xef4  
1675 C2H2N2O Furazan furazan  
1676 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1677 NH3BF3 Amminetrifluoroboron nh3bf3  
1678 C6H2 hexatriyne c6h2  
1679 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1680 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1681 C6H4 Benzyne benzyne  
1682 C6H5 phenyl phenyl  
1683 C6H5- phenyl anion phenyl-  
1684 C6H6 Prismane prismane  
1685 C6H6 1,2,4,5-Hexatetraene ht1245  
1686 C6H6 2,4-Hexadiyne hexadiyne  
1687 C6H6 3,4-Dimethylenecyclobutene cb34m  
1688 C6H6 Benzene benzene  
1689 C6H6 Benzvalene bv  
1690 C6H6 Dewar Benzene dewar  
1691 C6H6 Hexa-1,5-diene-3-yne hdy153  
1692 C6H6 Trimethylenecycopropane tmcp  
1693 C6H6+ Benzene cation c6h6+  
1694 C6H7+ benzene, protonated c6h7+  
1695 C6H8 (E)-hexa-1,3,5-triene c821078  
1696 C6H8 (E)-hexa-2,3,4-triene c59660650  
1697 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1698 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1699 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1700 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1701 C6H8 3-Methylenecyclopentene c930267  
1702 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1703 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1704 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1705 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1706 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1707 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1708 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1709 C6H10 1,5-Hexadiene c592427  
1710 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1711 C6H10 1-Hexyne hexyne1  
1712 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1713 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1714 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1715 C6H10 2-Hexyne c764352  
1716 C6H10 3-Hexyne hexyne3  
1717 C6H10 cyclohexene cyclohexene  
1718 C6H10 Cyclopentene, 1-methyl- c693890  
1719 C6H10 Cyclopentene, 3-methyl- c1120623  
1720 C6H10 Cyclopentene, 4-methyl- c1759815  
1721 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1722 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1723 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1724 C6H12 (E)-2-Hexene e2hexene  
1725 C6H12 (E)-3-methylpent-2-ene c616126  
1726 C6H12 (E)-hex-3-ene e3hexene  
1727 C6H12 (Z)-3-methylpent-2-ene c922623  
1728 C6H12 (Z)-hex-2-ene z2hexene  
1729 C6H12 (Z)-hex-3-ene z3hexene  
1730 C6H12 2,3-dimethylbut-1-ene c563780  
1731 C6H12 2,3-dimethyl-but-2-ene tmeet  
1732 C6H12 3-methylenepentane c760214  
1733 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1734 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1735 C6H12 Cyclohexane cyclohexane  
1736 C6H12 Cyclopentane, methyl- c96377  
1737 C6H12 Ethylcyclobutane c4806615  
1738 C6H12 hex-1-ene hexene1  
1739 C6H14 Butane, 2,2-dimethyl- buta22  
1740 C6H14 Butane, 2,3-dimethyl- buta23  
1741 C6H14 Hexane hexane  
1742 C6H14 Pentane, 2-methyl- penta2  
1743 C6H14 Pentane, 3-methyl- penta3  
1744 C4N2 2-Butynedinitrile c4n2  
1745 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1746 C4H2N2 Fumaronitrile c4h2n2  
1747 C2H2N4 sym-tetrazine ttz  
1748 C3H3N3 1,3,5-Triazine triazine135  
1749 CH3N5 5-Aminotetrazole c4418615  
1750 C4H4N2 1,3-Diazine diazine13  
1751 C4H4N2 Pyrazine pyrazine  
1752 C4H4N2 Pyridazine pyridazine  
1753 C4H4N2 Succinonitrile c110612  
1754 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1755 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1756 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1757 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1758 C5H5N E-2,4-pentadienenitrile bdcn  
1759 C5H5N Pyridine pyridine  
1760 B3N3H6 borazine borazine  
1761 C6H6 Fulvene fulvene  
1762 C5H6N+ Pyridinium c5h6n  
1763 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1764 C5H7N (E)-2-Pentenenitrile c26294984  
1765 C5H7N (E)-3-Pentenenitrile c16529661  
1766 C5H7N (Z)-2-Pentenenitrile c25899507  
1767 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1768 C5H7N Cyclobutanecarbonitrile c4426113  
1769 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1770 C5H9N Butanenitrile, 2-methyl- c18936179  
1771 C5H9N Pentanenitrile c110598  
1772 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1773 C6H10 Bicyclo[3.1.0]hexane c285585  
1774 C5H11N Cyclopentanamine cypentam  
1775 C5H11N Piperidine piper  
1776 C4H12N2 1,2-Butanediamine c4426486  
1777 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1778 Li2CO3 Lithium Carbonate li2co3  
1779 Na2CO3 Sodium Carbonate na2co3  
1780 C2O4-- oxalate anion c2o4  
1781 MgSO4 Magnesium Sulfate mgso4  
1782 N2O4 Dinitrogen tetroxide n2o4  
1783 C3H2O3 vinylene carbonate vica  
1784 C2H2O4 Oxalic Acid oxalic  
1785 C2H3NO3 Oxamic acid oxamic  
1786 C4H4O2 2(5H)-Furanone furanone  
1787 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1788 C2H4N2O2 Oxalamide oxalamide  
1789 C2H4N2S2 Ethanedithioamide c79403  
1790 C2H4CO3 Ethylene carbonate etco3  
1791 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1792 C3H4S3 1,3-Dithiolane-2-thione c822388  
1793 C2H4O4 Formic acid dimer fadimer  
1794 C4H5NO 3-Methylisoxazole isox3m  
1795 C4H5NO Isoxazole, 5-methyl- c5765446  
1796 C4H5NS 4-Methylthiazole c693958  
1797 C2H5NO3 Nitric acid, ethyl ester c625581  
1798 C5H6O 2H-Pyran pyran2  
1799 C5H6O 2-methylfuran furan2m  
1800 C5H6O 3-Methylfuran furan3m  
1801 C5H6O Pentadienal pdal  
1802 C5H6S Thiophene, 2-methyl- c554143  
1803 C5H6S Thiophene, 3-methyl- c616444  
1804 C4H6O2 γ–Butyrolactone c96480  
1805 C4H6O2 2,3-Butanedione c431038  
1806 C4H6O2 2-Propenoic acid, methyl ester c96333  
1807 C4H6O2 Crotonic Acid crot  
1808 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1809 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1810 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1811 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1812 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1813 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1814 C4H6OS Vinyl sulfoxide c1115157  
1815 CH6N4S Carbonothioic dihydrazide thiacarb  
1816 C2H6N2O2 (E)-Azodioxymethane c37765154  
1817 C2H6N2O2 Dimethylnitroamine c4164287  
1818 C3H6O3 1,3,5-Trioxane trioxane  
1819 C3H6S3 1,3,5-Trithiane c3h6s3  
1820 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1821 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1822 C4H7NO 2-Pyrrolidinone c616455  
1823 C4H7NO Ethoxyacetonitrile etoaccn  
1824 C4H7NO Methacrylamide c79390  
1825 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1826 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1827 C3H7ONO Propyl nitrite prono  
1828 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1829 CH3CH(NH2)COOH Alanine alanine  
1830 CH3NHCH2COOH Sarcosine sarcosine  
1831 NH2CH2CH2COOH β–alanine betaalanine  
1832 NH2COOC2H5 Urethane urethane  
1833 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1834 C5H8O Cyclopentanone c120923  
1835 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1836 C5H8O Methyl cyclopropyl ketone c765435  
1837 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1838 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1839 NH2CONHC2H5 Urea, ethyl- c625525  
1840 C4H8O2 1,3-Dioxane dioxan13  
1841 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1842 C4H8O2 1,4-Dioxane dioxan14  
1843 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1844 C4H8O2 Ethyl acetate c141786  
1845 C4H8OS s-Ethyl thioacetate c625605  
1846 C3H8O3 1,2,3-Propanetriol glycerin  
1847 C3H8O2S (Methylsulfonyl)ethane c594434  
1848 C4H9NO Butanamide c541355  
1849 C4H9NO Propanamide, 2-methyl- c563837  
1850 C5H10O 2-Butanone, 3-methyl- c563804  
1851 C5H10O 2H-Pyran, tetrahydro- c142687  
1852 C5H10O 2-methylbutyraldehyde 2meba  
1853 C5H10O 2-Pentanone mpk  
1854 C5H10O 3-Pentanone dek  
1855 C5H10O Cyclopentanol c96413  
1856 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1857 C5H10O Pentanal pal  
1858 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1859 C5H10S 3-Ethylthio-1-propene c5296628  
1860 C5H10S Cyclopentanethiol c1679078  
1861 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1862 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1863 C4H10O2 1,1-Dimethoxyethane c534156  
1864 C4H10O2 1,3-Butanediol budiol13  
1865 C4H10O2 1,4-Butanediol budiol14  
1866 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1867 C4H10OS Diethyl sulfoxide c70291  
1868 C4H10S2 1,4-Butanedithiol budisl14  
1869 C4H11NO Diethylhydroxylamine c3710847  
1870 C5H12O 1-Butanol, 2-methyl- c137326  
1871 C5H12O 1-Butanol, 3-methyl- c123513  
1872 C5H12O 1-Pentanol pentanol1  
1873 C5H12O 2-Butanol, 3-methyl- c598754  
1874 C5H12O 2-Pentanol peol2  
1875 C5H12O 3-Pentanol pentan3ol  
1876 C5H12O Butane, 1-methoxy- meobu  
1877 C5H12O Propane, 1-ethoxy- proet  
1878 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1879 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1880 C5H12S 1-Butanethiol, 3-methyl- c541311  
1881 C5H12S 1-Pentanethiol c110667  
1882 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1883 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1884 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1885 C5H12S Butane, 1-(methylthio)- c628295  
1886 C5H12S Ethyl propyl sulfide c4110503  
1887 C5H12S Propane, 2-(ethylthio)- c5145993  
1888 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1889 C4F2 difluorobutadiyne c4f2  
1890 ClCOClCO Oxalyl chloride oxcl  
1891 CF3CN Acetonitrile, trifluoro- cf3cn  
1892 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1893 B2F4 Diboron tetrafluoride b2f4  
1894 B2Cl4 Diboron tetrachloride b2cl4  
1895 C2F4 Tetrafluoroethylene c2f4  
1896 C2F4+ Tetrafluoroethylene cation c2f4+  
1897 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1898 CF2CCl2 difluorodichloroethylene cf2ccl2  
1899 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1900 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1901 C2FCl3 fluorotrichloroethene c2fcl3  
1902 C2Cl4 Tetrachloroethylene c2cl4  
1903 C2Br4 tetrabromoethene c2br4  
1904 CF3OF Trifluoromethylhypofluorite cf3of  
1905 SiF5- silicon pentafluoride anion sif5-  
1906 SOF4 Sulfur tetrafluoride oxide sof4  
1907 PF5 Phosphorus pentafluoride pf5  
1908 AsF5 Arsenic pentafluoride asf5  
1909 PCl5 Phosphorus pentachloride pcl5  
1910 SF5 Sulfur pentafluoride sf5  
1911 SF5+ pentafluoro sulfur cation sf5+  
1912 SbCl5 Antimony pentachloride sbcl5  
1913 BrF5 bromine pentafluoride brf5  
1914 ClF5 chlorinepentafluoride clf5  
1915 IF5 pentafluoroiodine if5  
1916 CF3CHO trifluoroacetaldehyde cf3cho  
1917 CCl3CHO trichloroacetaldehyde ccl3cho  
1918 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1919 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1920 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1921 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1922 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1923 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1924 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1925 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1926 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1927 CF3COOH trifluoroacetic acid cf3cooh  
1928 C4H3ClO Furan, 2-chloro fur2cl  
1929 C4H3ClO Furan,3-chloro fur3cl  
1930 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1931 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1932 C4H8Cl2 1,4-Dichlorobutane c110565  
1933 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1934 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1935 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1936 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1937 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1938 C5H11Cl Pentane, 1-chloro- pencl1  
1939 C4H8O2 Butanoic acid bua  
1940 C6H5CH2 benzyl radical benzyl  
1941 C7H7 cycloheptatrienyl radical c7h7  
1942 C7H7+ cycloheptatrienyl cation c7h7+  
1943 C6H5CH3 toluene toluene  
1944 C7H8 cycloheptatriene cht  
1945 C7H8 Norbornadiene norbor  
1946 C7H8 Quadricyclane qucy  
1947 C7H12 Norbornane nor  
1948 C7H14 cycloheptane c7h14  
1949 C7H16 2-methylhexane 2mhex  
1950 C7H16 3-methylhexane hex3m  
1951 C7H16 heptane heptane  
1952 CH(CN)3 tricyanomethane mecn3  
1953 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1954 C6H7N 2-Methylpyridine mp  
1955 C6H5NH2 aniline aniline  
1956 C6H13N 2-Methylpiperidine pip2m  
1957 C6H13N cyclohexanamine cham  
1958 C6H15N triethylamine tea  
1959 N2O5 Dinitrogen pentoxide n2o5  
1960 C4H2O3 Maleic Anhydride malan  
1961 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1962 C5H4O2 furfural furfural  
1963 C6H5O phenoxy radical phenoxy  
1964 C5H5NO 2(1H)-Pyridinone c72762006  
1965 C5H5NO 2(3H)-Pyridinone c9000048  
1966 C5H5NO 2(5H)-Pyridinone c9000037  
1967 C5H5NO 2-Pyridinol c109104  
1968 C5H5NO 3(2H)-Pyridinone c9000004  
1969 C5H5NO 3(4H)-Pyridinone c9000026  
1970 C5H5NO 3(6H)-Pyridinone c9000015  
1971 C5H5NO 3-Pyridinol c109002  
1972 C5H5NO 4(1H)-Pryidinone c9000060  
1973 C5H5NO 4(3H)-Pryidinone c9000059  
1974 C5H5NO 4-Pyridinol c626642  
1975 C6H5OH phenol phenol  
1976 C6H6O 2,4-Cyclohexadienone c24599573  
1977 C6H6O 2,5-Cyclohexadienone c5664335  
1978 C6H5SH Benzenethiol phsh  
1979 HO2CCHNH2CH2OH Serine serine  
1980 C5H8O2 Acetylacetone acac  
1981 C4H8O2S Sulfolane sulfolane  
1982 C7H10 Norbornene norbornene  
1983 CH(C2H3)3 trivinyl methane tvm  
1984 C6H10O cyclohexanone chexo  
1985 C6H12O hexanal c6h12o  
1986 C6H12O Oxepane oxepane  
1987 C3H7OC3H7 di-n-propyl ether propr  
1988 F2CCCF2 tetrafluoroallene pfa  
1989 CF3COO- trifluoro acetate anion cf3coo-  
1990 CF3COF trifluoroacetyl fluoride cf3cof  
1991 CF3COCl trifluoroacetyl chloride cf3cocl  
1992 PF6 Hexafluorophosphate neutral pf6  
1993 PF6- Hexafluorophosphate ion pf6-  
1994 SF6 Sulfur Hexafluoride sf6  
1995 SeF6 Selenium hexafluoride sef6  
1996 SF5Cl sulfur chloropentafluoride sf5cl  
1997 CF3CHF2 pentafluoroethane cf3chf2  
1998 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1999 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2000 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2001 CCl3CHCl2 pentachloroethane ccl3chcl2  
2002 C6H5F Fluorobenzene bzf  
2003 C6H5Cl chlorobenzene bzcl  
2004 C6H5Br bromobenzene bzbr  
2005 C8H6 Calicene calicene  
2006 C6H5CCH phenylacetylene phac  
2007 C8H6 benzocyclobutadiene bcbd  
2008 C8H6 Pentalene pentalene  
2009 C6H5CHCH2 Styrene styrene  
2010 C8H8 cubane cubane  
2011 C8H8 cyclooctatetraene cot  
2012 C6H5CH2CH3 Ethylbenzene etbz  
2013 CH3C6H4CH3 meta-xylene mxylene  
2014 CH3C6H4CH3 paraxylene pxylene  
2015 C8H14 Bicyclo[2.2.2]octane bico222  
2016 C8H16 cyclooctane cyclooct  
2017 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2018 C8H18 Octane c8h18  
2019 C6H5CN phenyl cyanide phcn  
2020 C6H12N2 Triethylenediamine ted  
2021 C4O4-- squarate dianion c4o4--  
2022 S4N4 Tetrasulfur tetranitride s4n4  
2023 S8 Octasulfur s8  
2024 C6H4O2 parabenzoquinone pbq  
2025 C4H4N2O2 Uracil uracil  
2026 C6H5CHO benzaldehyde benzal  
2027 C6H5OCH3 Anisole anisole  
2028 C5H9NO2 Proline proline  
2029 C6H12O2 Methyl pivalate c598981  
2030 C6H12O2 Hexanoic acid hexa  
2031 C4F4 tetrafluorcyclobutadiene c4f4  
2032 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2033 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2034 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2035 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2036 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2037 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2038 C2F6 hexafluoroethane c2f6  
2039 C2Cl6 hexachloroethane c2cl6  
2040 IF7 Iodine heptafluoride if7  
2041 C6H4F2 metadifluorobenzene mdfb  
2042 C6H4F2 orthodifluorobenzene odfb  
2043 C6H4F2 1,4-difluorobenzene pdfb  
2044 C6H4Cl2 1,2-dichlorobenzene dcb12  
2045 C6H4Cl2 1,3-dichlorobenzene dcb13  
2046 C6H4Cl2 1,4-dichlorobenzene dcb14  
2047 C6H5NO nitrosobenzene bzno  
2048 C9H8 Indene indene  
2049 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2050 C9H12 n-propyl benzene prbz  
2051 C9H20 Nonane nonane  
2052 C(CN)4 tetracyanomethane c5n4  
2053 C5H4N4 purine purine  
2054 C8H7N Indole indole  
2055 C3H3N3O3 cyanuric acid cyanuric  
2056 C6H5NO2 Nitrobenzene c6h5no2  
2057 C6H5COOH benzoic acid benzo  
2058 CH3COC6H5 acetophenone acph  
2059 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2060 C3F6 hexafluoropropene c3f6  
2061 C6H3F3 Benzene trifluoride 123 bzf3a  
2062 C8H18O 1-Octanol octanol  
2063 C10H8 Azulene azu  
2064 C10H8 naphthalene naph  
2065 C10H10 bullvalene bullv  
2066 C10H16 adamantane adamantane  
2067 C6N4 Tetracyanoethylene tcne  
2068 C6N4- tetracyanoethylene anion tcne-  
2069 C10H22 Decane decane  
2070 C4F6 perfluorobutadiene c4f6  
2071 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2072 C3F8 perfluoropropane c3f8  
2073 Fe(CO)5 Iron pentacarbonyl ipc  
2074 Fe(C5H5)2 ferrocene fecp2  
2075 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2076 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2077 C12H8 Acenaphthylene acenaph  
2078 C12H8 biphenylene biph  
2079 C12H10 biphenyl biphenyl  
2080 C12H10 Heptalene heptalene  
2081 C6H12O6 Inositol inositol  
2082 C6F6 hexafluorobenzene c6f6  
2083 S2F10 disulphur decafluoride s2f10  
2084 C13H10 Fluorene fluorene  
2085 C14H10 Anthracene anth  
2086 C14H10 Phenanthrene phenanthrene  
2087 C14H14 Bibenzyl bibenzyl  
2088 C12H10N2 azobenzene azobenzene  
2089 C6H5COC6H5 benzophenone benzophenone  
2090 C16H10 Pyrene pyrene  
2091 C18H12 Tetracene tetracene  
2092 C19H16 Triphenylmethane tpm  
2093 C24H12 Coronene coronene  
2094 C60 Buckminsterfullerene c60