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

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

List of which calculations are completed at MP4// MP2/6-31G* /cc-pVDZ

Jump to calculations not yet done
count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 He Helium atom 1SKh
7 B Boron atom 2PKh
8 Al Aluminum atom 2PKh
9 BH Boron monohydride 1ΣC∞v
10 AlH aluminum monohydride 1ΣC∞v
11 BH2 boron dihydride 2A1C2v
12 AlH2 aluminum dihydride 2A1C2v
13 BH3 boron trihydride 1A1'D3h
14 AlH3 aluminum trihydride 1A1'D3h
15 C Carbon atom 3P0Kh
16 Si Silicon atom 3PKh
17 CH Methylidyne 2Π1/2C∞v
18 SiH Silylidyne 2ΠC∞v
19 CH2 Methylene 3B1C2v
20 SiH2 silicon dihydride 1A1C2v
21 CH3 Methyl radical 2A1D3h
22 SiH3 Silyl radical 2A1C3v
23 CH4 Methane 1A1Td
24 SiH4 Silane 1A1Td
25 P Phosphorus atom 4SKh
26 NH Imidogen 3Σ-C∞v
27 PH phosphorus monohydride 3Σ-C∞v
28 ND2 Amidogen-d2 2B1C2v
29 NH2 Amino radical 2B1C2v
30 PH2 Phosphino radical 2B1C2v
31 ND3 Ammonia-d3 1A1C3v
32 NH3 Ammonia 1A1C3v
33 PH3 Phosphine 1A1C3v
34 O Oxygen atom 3SKh
35 S Sulfur atom 3PKh
36 DO Hydroxyl-d 2ΠC∞v
37 OH Hydroxyl radical 2ΠC∞v
38 DS Mercapto-d 2ΠC∞v
39 HS Mercapto radical 2ΠC∞v
40 D2O Deuterium oxide 1A1C2v
41 H2O Water 1A1C2v
42 HDO Water-d1 1A1C2v
43 D2S Hydrogen sulfide-d2 1A1C2v
44 H2S Hydrogen sulfide 1A1C2v
45 F Fluorine atom 2PKh
46 Cl Chlorine atom 2PKh
47 DF Hydrofluoric acid-d 1ΣC∞v
48 HF Hydrogen fluoride 1ΣC∞v
49 DCl Hydrochloric acid-d 1ΣC∞v
50 HCl Hydrogen chloride 1ΣC∞v
51 Ne Neon atom 1SKh
52 Ar Argon atom 1SKh
53 PO2 Phosphorus dioxide 2A1C2v
54 CCl2 dichloromethylene 1A1C2v

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 H2- hydrogen diatomic anion h2-  
5 H2+ Hydrogen cation h2+  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 He+ Helium atom cation he+  
10 HeH Helium hydride heh  
11 HeH+ Helium hydride cation heh+  
12 He2+ helium diatomic cation he2+  
13 Li Lithium atom li  
14 Li- Lithium atom anion li-  
15 Li+ Lithium atom cation li+  
16 Na Sodium atom na  
17 Na- Sodium atom anion na-  
18 Na+ Sodium atom cation na+  
19 K Potassium atom k  
20 K- Potassium atom anion k-  
21 K+ Potassium atom cation k+  
22 Cu Copper atom cu  
23 Cu- Copper atom anion cu-  
24 Cu+ Copper atom cation cu+  
25 LiH Lithium Hydride lih  
26 LiH- lithium hydride anion lih-  
27 LiH+ lithium hydride cation lih+  
28 NaH sodium hydride nah  
29 NaH- sodium hydride anion nah-  
30 NaH+ sodium hydride cation nah+  
31 KH Potassium hydride kh  
32 KH+ Potassium hydrogen cation kh+  
33 CuH Copper monohydride cuh  
34 Be Beryllium atom be  
35 Be- Beryllium atom anion be-  
36 Be+ Beryllium atom cation be+  
37 Mg Magnesium atom mg  
38 Mg- Magnesium atom anion mg-  
39 Mg+ Magnesium atom cation mg+  
40 Ca Calcium atom ca  
41 Ca- Calcium atom anion ca-  
42 Ca+ Calcium atom cation ca+  
43 Zn Zinc atom zn  
44 Zn- Zinc atom anion zn-  
45 Zn+ Zinc atom cation zn+  
46 BeH beryllium monohydride beh  
47 BeH- berylium monohydride anion beh-  
48 BeH+ beryllium monohydride cation beh+  
49 MgH magnesium monohydride mgh  
50 MgH- magnesium monohydride anion mgh-  
51 MgH+ magnesium monohydride cation mgh+  
52 CaH Calcium monohydride cah  
53 CaH+ Calcium monohydride cation cah+  
54 TiH Titanium monohydride tih  
55 ZnH Zinc monohydride znh  
56 ZnH+ Zinc, protonated znh+  
57 BeH2 beryllium dihydride beh2  
58 BeH2+ Beryllium dihydride cation beh2+  
59 MgH2 magnesium dihydride mgh2  
60 CaH2 Calcium Hydride cah2  
61 ZnH2 Zinc hydride znh2  
62 B- Boron atom anion b-  
63 B+ Boron atom cation 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 anion bh-  
72 BH+ boron monohydride cation bh+  
73 AlH- aluminum monohydride anion alh-  
74 AlH+ aluminum monohydride cation alh+  
75 ScH Scandium monohydride sch  
76 ScH+ Scandium monohydride cation sch+  
77 GaH Gallium monohydride gah  
78 GaH+ Gallium monohydride cation gah+  
79 BH2- boron dihydride anion bh2-  
80 BH2+ Boron dihydride cation bh2+  
81 AlH2- aluminum dihydride anion alh2-  
82 AlH2+ aluminum dihydride cation alh2+  
83 BH3- boron trihydride anion bh3-  
84 BH3+ boron trihydride cation bh3+  
85 AlH3- aluminum trihydride anion alh3-  
86 AlH3+ aluminum trihydride cation alh3+  
87 ScH3 Scandium trihydride sch3  
88 GaH3 Gallium trihydride gah3  
89 BH4 borohydride bh4  
90 BH4- borohydride anion bh4-  
91 AlH4- Aluminum tetrahydride anion alh4-  
92 C- Carbon atom anion c-  
93 C+ Carbon atom cation c+  
94 Si- Silicon atom anion si-  
95 Si+ Silicon atom cation si+  
96 Ti Titanium atom ti  
97 Ti- Titanium atom anion ti-  
98 Ti+ Titanium atom cation ti+  
99 Ge Germanium atom ge  
100 Ge- Germanium anion ge-  
101 Ge+ Germanium cation ge+  
102 Sn Tin atom sn  
103 Sn+ Tin cation sn+  
104 CH- methylidyne anion ch-  
105 CH+ Methylidyne cation ch+  
106 SiH- silicon monohydride anion sih-  
107 SiH+ silicon monohydride cation sih+  
108 GeH germylidene geh  
109 GeH+ Germaniun monohyrdide cation geh+  
110 CH2- methylene anion ch2-  
111 CH2+ methylene cation ch2+  
112 SiH2- silicon dihydride anion sih2-  
113 SiH2+ silicon dihydride cation sih2+  
114 GeH2 germylene geh2  
115 GeH2- germylene anion geh2-  
116 CH3- methyl anion ch3-  
117 CH3+ methyl cation ch3+  
118 SiH3- Silyl anion sih3-  
119 SiH3+ Silyl cation sih3+  
120 GeH3 Germyl radical geh3  
121 GeH3+ germyl cation geh3+  
122 CD4 methane-d4 cd4  
123 CH2D2 methane-d2 ch2d2  
124 CH3D methane-d ch3d  
125 CH4- Methane anion ch4-  
126 CH4+ Methane cation ch4+  
127 CHD3 methane-d3 chd3  
128 SiH2D2 silane-d2 sih2d2  
129 SiH4+ Silane cation sih4+  
130 GeH4 Germane geh4  
131 SnH4 Stannane snh4  
132 SiH5+ Silane, protonated sih5+  
133 N Nitrogen atom n  
134 N- Nitrogen atom anion n-  
135 N+ Nitrogen atom cation n+  
136 P- Phosphorus atom anion p-  
137 P+ Phosphorus atom cation p+  
138 V Vanadium atom v  
139 V+ Vanadium atom cation v+  
140 As Arsenic atomic as  
141 As- Arsenic anion as-  
142 As+ Arsenic cation as+  
143 Sb Antimony atom sb  
144 NH- Imidogen anion nh-  
145 NH+ imidogen cation nh+  
146 PH- phosphorus monohydride anion ph-  
147 PH+ phosphorus monohydride cation ph+  
148 AsH Arsenic monohydride ash  
149 AsH+ Arsenic monohydride cation ash+  
150 SbH Antimony monohydride sbh  
151 NH2- amino anion nh2-  
152 NH2+ Amino cation nh2+  
153 PH2- Phosphino anion ph2-  
154 PH2+ Phosphino cation ph2+  
155 AsH2 Arsenic dihydride ash2  
156 AsH2+ Arsenic dihydride cation ash2+  
157 NH3- Ammonia anion nh3-  
158 NH3+ ammonia cation nh3+  
159 PH3+ Phosphine cation ph3+  
160 AsH3 Arsine ash3  
161 AsH3+ Arsine cation ash3+  
162 SbH3 Stibine sbh3  
163 AsH4+ Arsonium ash4+  
164 NH4 Ammonium radical nh4  
165 NH4+ ammonium cation nh4+  
166 PH4 Phosphoranyl radical ph4  
167 PH4+ phosphonium cation ph4+  
168 O- Oxygen atom anion o-  
169 O+ Oxygen atom cation o+  
170 S- Sulfur atom anion s-  
171 S+ Sulfur atom cation s+  
172 Cr Chromium atom cr  
173 Se Selenium atom se  
174 Se- Selenium atom anion se-  
175 Se+ Selenium atom cation se+  
176 Te Tellurium atom te  
177 Te+ Tellurium atom cation te+  
178 OH- hydroxide anion oh-  
179 OH+ hydoxyl cation oh+  
180 HS- mercapto anion sh-  
181 HS+ sulfur monohydride cation sh+  
182 CrH Chromium hydride crh  
183 CrH+ Chromium hydride cation crh+  
184 HSe Selenium monohydride hse  
185 HSe- selenium monohydride anion hse-  
186 HSe+ selenium monohydride cation hse+  
187 TeH Telluryl radical teh  
188 H2O- water anion h2o-  
189 H2O+ water cation h2o+  
190 H2S- Hydrogen sulfide anion h2s-  
191 H2S+ Hydrogen sulfide cation h2s+  
192 H2Se Hydrogen selenide h2se  
193 H2Se+ Hydrogen selenide cation h2se+  
194 H2Te Hydrogen Telluride h2te  
195 H3O+ hydronium cation h3o+  
196 H3S+ Sulfonium cation h3s+  
197 H3Se+ Hydrogen Selenide, protonated h3se+  
198 F- Fluorine atom anion f-  
199 F+ Fluorine atom cation f+  
200 Cl- Chlorine atom anion cl-  
201 Cl+ Chlorine atom cation cl+  
202 Mn Manganese atom mn  
203 Br Bromine atom br  
204 Br- Bromine atom anion br-  
205 Br+ Bromine atom cation br+  
206 I Iodine atom iodine  
207 I- Iodine atom anion iodine-  
208 I+ Iodine atom cation iodine+  
209 HF- hydrogen fluoride anion hf-  
210 HF+ hydrogen fluoride cation hf+  
211 HCl- hydrogen chloride anion hcl-  
212 HCl+ hydrogen chloride cation hcl+  
213 HBr hydrogen bromide hbr  
214 HBr- hydrogen bromide anion hbr-  
215 HBr+ hydrogen bromide cation hbr+  
216 HI Hydrogen iodide hi  
217 HI+ Hydrogen iodide cation hi+  
218 H2F+ dihydrogen fluoride cation h2f+  
219 H2Cl+ dihydrogen monochloride cation h2cl+  
220 H2Br+ protonated hydrogen bromide h2br+  
221 H2I+ Iodonium h2i+  
222 Ne- Neon atom anion ne-  
223 Ne+ Neon atom cation ne+  
224 Ar- Argon atom anion ar-  
225 Ar+ Argon atom cation ar+  
226 Fe Iron atom fe  
227 Kr Krypton atom kr  
228 Kr+ Krypton cation kr+  
229 Xe Xenon atom xe  
230 HeLi+ Helium Lithium cation heli+  
231 NeH neon hydrogen neh  
232 NeH+ neon hydrogen cation neh+  
233 ArH+ Argon hydride cation arh+  
234 KrH+ Protonated Krypton krh+  
235 XeH+ Xenon, protonated xeh+  
236 H2Ar H2 Ar dimer h2ar  
237 Co Cobalt atom cobalt  
238 Ni Nickel atom ni  
239 Li2 Lithium diatomic li2  
240 Li2- lithium diatomic anion li2-  
241 Li2+ lithium diatomic cation li2+  
242 NaLi lithium sodium lina  
243 NaLi- lithium sodium anion lina-  
244 NaLi+ lithium sodium cation lina+  
245 LiK Lithium Potassium lik  
246 Na2 Sodium diatomic na2  
247 Na2- sodium diatomic anion na2-  
248 Na2+ sodium diatomic cation na2+  
249 NaK Sodium Potassium nak  
250 NaK+ Sodium Potassium diatomic cation nak+  
251 K2 Potassium diatomic k2  
252 Cu2 Copper diatomic cu2  
253 LiBe Lithium Beryllium libe  
254 LiMg Lithium magnesium limg  
255 NaBe Sodium Beryllium nabe  
256 NaMg Sodium Magnesium namg  
257 Be2 Beryllium diatomic be2  
258 Be2- Beryllium diatomic anion be2-  
259 Be2+ Beryllium diatomic cation be2+  
260 BeMg Beryllium Magnesium bemg  
261 Mg2 Magnesium diatomic mg2  
262 Mg2- magnesium diatomic anion mg2-  
263 Mg2+ magnesium diatomic cation mg2+  
264 Ca2 Calcium diatomic ca2  
265 LiB Lithium boride lib  
266 LiAl Lithium Aluminum lial  
267 NaAl Sodium aluminum naal  
268 BeB Beryllium monoboride beb  
269 B2 Boron diatomic b2  
270 B2- Boron diatomic anion b2-  
271 B2+ Boron diatomic cation b2+  
272 BAl Boron Aluminum bal  
273 Al2 Aluminum diatomic al2  
274 Al2- aluminum diatomic anion al2-  
275 Al2+ aluminum diatomic cation al2+  
276 BGa Boron Gallium bga  
277 AlGa Aluminum Gallium alga  
278 Ga2 Gallium diatomic ga2  
279 HBBH Diborane(2) hbbh  
280 LiBH4 Lithium borohydride libh4  
281 B2H4 Diborane(4) D2d b2h4  
282 HBHHBH Diborane(4) C2V hbhhbh  
283 B2H6 Diborane b2h6  
284 B2H6+ Diborane cation b2h6  
285 Al2H6 dialane al2h6  
286 Ga2H6 digallane ga2h6  
287 LiC Lithium Carbide lic  
288 BeC Beryllium Carbide bec  
289 CaC Calcium monocarbide cac  
290 BC boron monocarbide bc  
291 BC- boron monocarbide anion bc-  
292 BC+ boron monocarbide cation bc+  
293 AlC Aluminum carbide alc  
294 BSi Boron silicide bsi  
295 C2 Carbon diatomic c2  
296 C2- carbon diatomic anion c2-  
297 C2+ carbon diatomic cation c2+  
298 SiC silicon monocarbide sic  
299 SiC- silicon monocarbide anion sic-  
300 SiC+ silicon monocarbide cation sic+  
301 Si2 Silicon diatomic si2  
302 Si2- silcon diatomic anion si2-  
303 Si2+ silcon diatomic cation si2+  
304 GeC Germanium monocarbide gec  
305 SiGe Silicon Germanium sige  
306 Ge2 Germanium diatomic ge2  
307 C2H Ethynyl radical c2h  
308 C2H- Ethynyl anion c2h-  
309 C2H+ Ethynyl cation c2h+  
310 ZnCH2 Zinc methylene znch2  
311 C2H2 Acetylene c2h2  
312 C2H2+ acetylene cation c2h2+  
313 CCH2 vinylidene vinylidene  
314 H2CC- vinylidene anion h2cc-  
315 HCCH- acetylene anion c2h2-  
316 Si2H2 disilyne si2h2  
317 CH3Li methyl lithium ch3li  
318 CuCH3 monomethyl copper cuch3  
319 ZnCH3 Zinc monomethyl znch3  
320 CH2BH methyleneborane ch2bh  
321 C2H3 vinyl c2h3  
322 C2H3- vinyl anion c2h3-  
323 C2H3+ vinyl cation c2h3+  
324 C2H4 Ethylene c2h4  
325 C2H4- Ethylene anion c2h4-  
326 C2H4+ Ethylene cation c2h4+  
327 CH3CH methylmethylene ch3ch  
328 CH2SiH2 silaethylene ch2sih2  
329 Si2H4 Disilene si2h4  
330 CH3BH2 methylborane ch3bh2  
331 C2H5 Ethyl radical c2h5  
332 C2H5- Ethyl anion c2h5-  
333 C2H5+ Ethyl cation c2h5+  
334 C2H6 Ethane c2h6  
335 C2H6+ ethane cation c2h6+  
336 CH3SiH3 methyl silane ch3sih3  
337 Si2H6 disilane si2h6  
338 GeH3CH3 methyl germane geh3ch3  
339 C2H7+ Ethane, protonated c2h7+  
340 LiN Lithium Nitride lin  
341 LiN+ Lithium Nitride cation lin+  
342 LiP Lithium monophosphide lip  
343 BeN Beryllium mononitride ben  
344 BeN- Beryllium mononitride anion ben-  
345 BeN+ Beryllium mononitride cation ben+  
346 MgN Magnesium Nitride mgn  
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 Cyano radical cn  
359 CN- cyanide anion cn-  
360 CN+ Cyano cation cn+  
361 CP Carbon monophosphide cp  
362 CP- carbon monophosphide anion cp-  
363 CP+ carbon monophosphide cation cp+  
364 SiN Silicon nitride sin  
365 SiN- silicon mononitride anion sin-  
366 SiN+ silicon mononitride cation sin+  
367 SiP Silicon monophosphide sip  
368 SiP- Silicon monophosphide anion sip-  
369 SiP+ Silicon monophosphide cation sip+  
370 TiN Titanium mononitride tin  
371 N2 Nitrogen diatomic n2  
372 N2- nitrogen diatomic anion n2-  
373 N2+ diatomic nitrogen cation n2+  
374 PN Phosphorus mononitride pn  
375 PN- phosphorus nitride anion pn-  
376 PN+ phosphorus nitride cation pn+  
377 P2 Phosphorus diatomic p2  
378 P2- phosphorus diatomic anion p2-  
379 P2+ phosphorus diatomic cation p2+  
380 AsN Arsenic mononitride asn  
381 AsP Arsenic monophosphide asp  
382 SbN Antimony nitride sbn  
383 As2 Arsenic diatomic as2  
384 HNB hydrogen nitrogen boron hnb  
385 HNC hydrogen isocyanide hnc  
386 HCN Hydrogen cyanide hcn  
387 HCN- Hydrogen cyanide anion hcn-  
388 HCN+ hydrogen cyanide cation hcn+  
389 HNC+ hydrogen isocyanide cation hnc+  
390 HCP Phosphaethyne hcp  
391 HCP+ Phosphaethyne cation hcp+  
392 NNH Dinitrogen monohydride nnh  
393 NNH+ Dinitrogen monohydride cation nnh+  
394 HPO Hydrogen phosphorus oxide hpo  
395 HPO+ Hydrogen phosphorus oxide cation hpo+  
396 LiNH2 lithium amide linh2  
397 HBNH Boranimine hbnh  
398 CNH2 Aminomethylidyne radical cnh2  
399 CNH2+ N-protonated hydrogen isocyanide cnh2+  
400 H2CN Dihydrogen cyanide radical h2cn  
401 H2CN+ hydrocyanonium cation h2cn+  
402 HCNH methyleneazane hcnh  
403 HCNH+ N-protonated HCN hcnh+  
404 H2NN Isodiazene h2nn  
405 N2H2 (E)-diazene n2h2  
406 N2H2 (Z)-Diazene n2h2z  
407 N2H2+ trans-diazene cation n2h2+  
408 CH2NH Methanimine ch3n  
409 CH2NH+ Methanimine cation ch2nh+  
410 CHNH2 aminomethylene chnh2  
411 CHNH2+ Aminocarbene cation chnh2+  
412 CH2PH Phosphaethene ch3p  
413 BH2NH2 Boranamine bh2nh2  
414 CH2NH2+ methyleneamine cation ch2nh2+  
415 N2H4 Hydrazine n2h4  
416 N2H4+ hydrazine cation n2h4+  
417 P2H4 Diphosphine p2h4  
418 CH3NH2 methyl amine ch3nh2  
419 CH3NH2+ methyl amine cation ch3nh2+  
420 CH3PH2 Methyl phosphine ch3ph2  
421 SiH3NH2 Silane, amino sih3nh2  
422 N2H5+ protonated hydrazine n2h5+  
423 BH3PH3 borane phosphine bh3ph3  
424 BH3NH3 borane ammonia bh3nh3  
425 CH3NH3 methyl ammonium radical ch3nh3  
426 CH3NH3+ protonated methylamine ch3nh3+  
427 CH3PH3+ methyl phosphine, protonated ch3ph3+  
428 NH3NH3 Ammonia Dimer nh3nh3  
429 N2H7+ ammonia ammonium dimer n2h7+  
430 LiO lithium oxide lio  
431 LiO- lithium oxide anion lio-  
432 LiO+ lithium oxide cation lio+  
433 LiS Lithium monosulfide lis  
434 LiS+ Lithium sulfide cation lis+  
435 NaO sodium monoxide nao  
436 NaO- sodium oxide anion nao-  
437 NaO+ sodium oxide cation nao+  
438 KO Potassium monoxide ko  
439 KO+ Potassium monoxide cation ko+  
440 NaS Sodium sulfide nas  
441 CuO Copper Monoxide cuo  
442 LiSe Lithium monoselenide lise  
443 BeO beryllium oxide beo  
444 BeO- Beryllium monoxide anion beo-  
445 BeO+ Beryllium monoxide cation beo+  
446 BeS beryllium sulfide bes  
447 MgO magnesium oxide mgo  
448 MgO- magnesium oxide anion mgo-  
449 MgO+ magnesium oxide cation mgo+  
450 CaO Calcium monoxide cao  
451 MgS magnesium sulfide mgs  
452 MgS- magnesium sulfide anion mgs-  
453 MgS+ magnesium sulfide cation mgs+  
454 CaS Calcium sulfide cas  
455 ZnO zinc monoxide zno  
456 ZnS Zinc sulfide zns  
457 BeS- Beryllium monosulfide anion bes-  
458 BeS+ Beryllium monosulfide cation bes+  
459 BO boron monoxide bo  
460 BO- boron monoxide anion bo-  
461 AlO Aluminum monoxide alo  
462 AlO- Aluminum monoxide anion alo-  
463 AlO+ aluminum monoxide cation alo+  
464 BS boron sulfide bs  
465 BS- boron monosulfide anion bs-  
466 BS+ boron monosulfide cation bs+  
467 AlS Aluminum sulfide als  
468 AlS- aluminum monosulfide anion als-  
469 AlS+ aluminum monosulfide cation als+  
470 ScO Scandium monoxide sco  
471 GaO Gallium monoxide gao  
472 GaS Gallium monosulfide gas  
473 BO+ boron monoxide cation bo+  
474 CO Carbon monoxide co  
475 CO- carbon monoxide anion co-  
476 CO+ carbon monoxide cation co+  
477 CS carbon monosulfide cs  
478 CS- carbon monosulfide anion cs-  
479 CS+ carbon monosulfide cation cs+  
480 SiO Silicon monoxide sio  
481 SiO- silicon monoxide anion sio-  
482 SiO+ silicon monoxide cation sio+  
483 SiS silicon monosulfide sis  
484 SiS- silicon monosulfide anion sis-  
485 SiS+ silicon monosulfide cation sis+  
486 TiO Titanium monoxide tio  
487 CSe Carbon monoselenide cse  
488 CSe- Carbon monoselenide anion cse-  
489 CSe+ Carbon monoselenide cation cse+  
490 GeO Germanium monoxide geo  
491 GeO+ Germanium monoxide cation geo+  
492 GeS Germanium monosulfide ges  
493 SiSe Silicon Monoselenide sise  
494 SiSe+ Silicon Monoselenide cation sise+  
495 GeSe Germanium monoselenide gese  
496 NO Nitric oxide no  
497 NO- nitric oxide anion no-  
498 NO+ nitric oxide cation no+  
499 NS Mononitrogen monosulfide ns  
500 NS- nitrogen sulfide anion ns-  
501 NS+ nitrogen sulfide cation ns+  
502 PO Phosphorus monoxide po  
503 PO- phosphorus monoxide anion po-  
504 PO+ phosphorus monoxide cation po+  
505 PS phosphorus sulfide ps  
506 PS- phosphorus monosulfide anion ps-  
507 PS+ phosphorus monosulfide cation ps+  
508 VO Vanadium monoxide vo  
509 AsO Arsenic monoxide aso  
510 NSe Nitrogen monoselenide nse  
511 AsS Arsenic monosulfide ass  
512 PSe Phosphorus monoselenide pse  
513 AsSe Arsenic monoselenide asse  
514 O2 Oxygen diatomic o2  
515 O2- oxygen diatomic anion o2-  
516 O2-- dioxygen dianion o2--  
517 O2+ diatomic oxygen cation o2+  
518 SO Sulfur monoxide so  
519 SO- sulfur monoxide anion so-  
520 SO+ sulfur monoxide cation so+  
521 S2 Sulfur diatomic s2  
522 S2- sulfur diatomic anion s2-  
523 S2+ sulfur diatomic cation s2+  
524 SeO Selenium monoxide seo  
525 SeO- selenium monoxide anion seo-  
526 SeO+ selenium monoxide cation seo+  
527 SeS Selenium monosulfide ses  
528 SeS- selenium monosulfide anion ses-  
529 SeS+ selenium monosulfide cation ses+  
530 TeO Tellurium monoxide teo  
531 Se2 Selenium diatomic se2  
532 Se2- selenium diatomic anion se2-  
533 Se2+ selenium diatomic cation se2+  
534 Te2 Tellurium diatomic te2  
535 LiOH lithium hydroxide lioh  
536 NaOH sodium hydroxide naoh  
537 KOH Potassium hydroxide koh  
538 BeOH beryllium monohydroxide beoh  
539 MgOH magnesium hydroxide mgoh  
540 CaOH Calcium monohydroxide caoh  
541 HBO Boron hydride oxide hbo  
542 HBS hydrogen boron sulfide hbs  
543 COH Hydroxymethylidyne coh  
544 COH+ Carbon Monoxide, protonated coh+  
545 HCO Formyl radical hco  
546 HCO- formyl anion hco-  
547 HCO+ Formyl cation hco+  
548 HCS Thioformyl radical hcs  
549 HCS- Thioformyl anion hcs-  
550 HCS+ Thioformyl cation hcs+  
551 HNO Nitrosyl hydride hno  
552 HNO- Nitrosyl hydride anion hno-  
553 HNO+ Nitrosyl hydride cation hno+  
554 NOH Hydroxyimidogen noh  
555 NOH+ O-protonated nitric oxide noh+  
556 HNS Sulfur imide hns  
557 HNS- Sulfur imide anion hns-  
558 HO2 Hydroperoxy radical ho2  
559 HO2- Hydroperoxy anion ho2-  
560 HO2+ Hydroperoxy cation ho2+  
561 HSO+ Sulfur Monoxide, S-protonated HSO+  
562 SOH Sulfur Hydroxide soh  
563 SOH+ Sulfur Monoxide, protonated soh+  
564 HS2 Thiosulfeno radical hs2  
565 H2CO Formaldehyde h2co  
566 H2CO- formaldehyde anion h2co-  
567 H2CO+ formaldehyde cation h2co+  
568 HOCH hydroxycarbene hoch  
569 H2CS Thioformaldehyde h2cs  
570 H2CS- thioformaldehyde anion h2cs-  
571 H2CS+ thioformaldehyde cation h2cs+  
572 H2CSe Selenoformaldehyde h2cse  
573 H2NO nitroxide h2no  
574 H2O2 Hydrogen peroxide h2o2  
575 H2O2+ Hydrogen peroxide cation h2o2+  
576 H2OO water oxide h2oo  
577 HOSH hydrogen thioperoxide hosh  
578 H2S2 Disulfane h2s2  
579 H2S2+ hydrogen disulfide cation h2s2+  
580 H2Se2 hydrogen diselenide h2se2  
581 CH2OH Hydroxymethyl radical ch2oh  
582 CH2OH+ hydroxymethyl cation ch2oh+  
583 CH3O Methoxy radical ch3o  
584 CH3O- methoxy anion ch3o-  
585 CH3O+ Methoxy cation ch3o+  
586 CH3S thiomethoxy ch3s  
587 H2CSH+ Thioformaldehyde, protonated h2csh+  
588 NH2OH hydroxylamine nh2oh  
589 NH2OH+ Hydroxylamine cation nh2oh+  
590 NH3O Ammonia Oxide nh3o  
591 H2POH Phosphinous acid h2poh  
592 H3PO Phosphine oxide h3po  
593 NH2SH Thiohydroxylamine nh2sh  
594 NH3S sulfidoazane nh3s  
595 H3O2+ hydrogen peroxide, protonated h3o2+  
596 CH3OH Methyl alcohol ch3oh  
597 CH3OH- Methyl alcohol anion ch3oh-  
598 CH3OH+ Methyl alcohol cation ch3oh+  
599 CH3SH Methanethiol ch3sh  
600 CH3SH+ Methanethiol cation ch3sh+  
601 SiH3OH silanol sih3oh  
602 CH3SeH Methane selenol ch3seh  
603 NH2OH2+ protonated hydroxylamine nh2oh2+  
604 NH3OH+ N-protonated hydroxylamine nh3oh+  
605 H2OH2O water dimer h2oh2o  
606 CH3OH2+ Methanol, protonated ch3oh2+  
607 CH3SH2+ protonated methylsulfide ch3sh2+  
608 H2ONH3 Water Ammonia Dimer h2onh3  
609 H5O2+ Dihydroxonium ion h5o2+  
610 LiF lithium fluoride lif  
611 LiCl lithium chloride licl  
612 LiCl- lithium chloride anion licl-  
613 LiCl+ lithium chloride cation licl+  
614 NaF sodium fluoride naf  
615 NaF- sodium fluoride anion naf-  
616 NaF+ sodium fluoride cation naf+  
617 KF Potassium Fluoride kf  
618 NaCl Sodium Chloride nacl  
619 NaCl- sodium chloride anion nacl-  
620 NaCl+ sodium chloride cation nacl+  
621 KCl Potassium Chloride kcl  
622 CuF Copper monofluoride cuf  
623 LiBr Lithium Bromide libr  
624 LiBr- lithium bromide anion libr-  
625 LiBr+ lithium bromide cation libr+  
626 CuCl Copper monochloride cucl  
627 NaBr Sodium Bromide nabr  
628 NaBr- sodium bromide anion nabr-  
629 NaBr+ sodium bromide cation nabr+  
630 KBr Potassium Bromide kbr  
631 LiI Lithium Iodide lii  
632 NaI Sodium Iodide nai  
633 KI Potassium Iodide ki  
634 LiF- lithium fluoride anion lif-  
635 LiF+ lithium fluoride cation lif+  
636 BeF Beryllium monofluoride bef  
637 BeF- Beryllium monofluoride anion bef-  
638 BeF+ Beryllium monofluoride cation bef+  
639 BeCl beryllium monochloride becl  
640 MgF Magnesium monofluoride mgf  
641 MgF- magnesium fluoride anion mgf-  
642 MgF+ magnesium fluoride cation mgf+  
643 CaF Calcium monofluoride caf  
644 MgCl magnesium monochloride mgcl  
645 MgCl- magnesium monochloride anion mgcl-  
646 MgCl+ magnesium monochloride cation mgcl+  
647 CaCl calcium monochloride cacl  
648 TiCl Titanium Monochloride ticl  
649 ZnF Zinc monofluoride znf  
650 ZnF- Zinc monofluoride anion znf-  
651 ZnF+ Zinc monofluoride cation znf+  
652 ZnCl Zinc monochloride zncl  
653 CaBr Calcium monobromide cabr  
654 BeCl- beryllium monochloride anion becl-  
655 BeCl+ beryllium monochloride cation becl+  
656 BF Boron monofluoride bf  
657 BF- Boron monofluoride anion bf-  
658 BF+ Boron monofluoride cation bf+  
659 AlF Aluminum monofluoride alf  
660 AlF- Aluminum monofluoride anion alf-  
661 AlF+ Aluminum monofluoride cation alf+  
662 BCl boron monochloride bcl  
663 BCl- boron monochloride anion bcl-  
664 BCl+ boron monochloride cation bcl+  
665 AlCl Aluminum monochloride alcl  
666 AlCl- aluminum monochloride anion alcl-  
667 AlCl+ aluminum monochloride cation alcl+  
668 ScF Scandium monofluoride scf  
669 BBr Boron monobromide bbr  
670 GaF Gallium monofluoride gaf  
671 GaF+ Gallium monofluoride cation gaf+  
672 AlBr Aluminum monobromide albr  
673 GaCl Gallium monochloride gacl  
674 GaCl+ Gallium monochloride cation gacl+  
675 AlI Aluminum monoiodide ali  
676 GaBr Gallium monobromide gabr  
677 CF Fluoromethylidyne cf  
678 CF- carbon monofluoride anion cf-  
679 CF+ carbon monofluoride cation cf+  
680 CCl carbon monochloride ccl  
681 CCl- carbon monochloride anion ccl-  
682 CCl+ carbon monochloride cation ccl+  
683 SiF silicon monofluoride sif  
684 SiF- silicon monofluoride anion sif-  
685 SiF+ silicon monofluoride cation sif+  
686 SiCl Clorosilylidyne sicl  
687 SiCl- silicon monochloride anion sicl-  
688 SiCl+ silicon monochloride cation sicl+  
689 CBr Carbon monobromide cbr  
690 GeF Germanium monofluoride gef  
691 GeF+ Germanium monofluoride cation gef+  
692 GeCl Germanium monochloride gecl  
693 GeCl+ Germanium monochloride cation gecl+  
694 SiBr Silicon monobromide sibr  
695 SiBr+ Silicon monobromide cation sibr+  
696 NF nitrogen fluoride nf  
697 NF- nitrogen monofluorine anion nf-  
698 NF+ nitrogen monofluoirde cation nf+  
699 NCl nitrogen monochloride ncl  
700 NCl- nitrogen monochloride anion ncl-  
701 NCl+ nitrogen monochloride cation ncl+  
702 PF phosphorus monofluoride pf  
703 PF- phosphorus monofluoride anion pf-  
704 PF+ phosphorus monofluoride cation pf+  
705 PCl phosphorus chloride pcl  
706 PCl- phosphorus monochloride anion pcl-  
707 PCl+ phosphorus monochloride cation pcl+  
708 AsF Arsenic monofluoride asf  
709 NBr nitrogen monobromide nbr  
710 AsCl Arsenic monochloride ascl  
711 PBr Phosphorus monobromide pbr  
712 SbF Antimony monofluoride sbf  
713 SbCl Antimony monochloride sbcl  
714 FO Oxygen monofluoride fo  
715 FO- flourine oxide anion fo-  
716 FO+ fluorine monoxide cation fo+  
717 ClO Monochlorine monoxide clo  
718 ClO- chlorine monoxide anion clo-  
719 ClO+ chlorine monoxide cation clo+  
720 SF Monosulfur monofluoride sf  
721 SF- sulfur monofluoride anion sf-  
722 SF+ sulfur monofluoride cation sf+  
723 SCl sulfur monochloride scl  
724 SCl- sulfur monochloride anion scl-  
725 SCl+ sulfur monochloride cation scl+  
726 BrO Bromine monoxide bro  
727 BrO- Bromine monoxide anion bro-  
728 BrO+ Bromine monoxide cation bro+  
729 SeF Selenium monofluoride sef  
730 SBr Sulfur monobromide radical sbr  
731 SBr+ Sulfur monobromide cation sbr+  
732 SeCl Selenium monochloride secl  
733 IO Iodine monoxide io  
734 SeBr Selenium monobromide sebr  
735 BrCl Bromine monochloride brcl  
736 F2 Fluorine diatomic f2  
737 F2- flourine diatomic anion f2-  
738 F2+ flourine diatomic cation f2+  
739 ClF Chlorine monofluoride clf  
740 ClF- clorine monofluoride anion clf-  
741 ClF+ clorine monofluoride cation clf+  
742 Cl2 Chlorine diatomic cl2  
743 Cl2- chlorine diatomic anion cl2-  
744 Cl2+ chlorine diatomic cation cl2+  
745 BrF Bromine monofluoride brf  
746 BrF- bromine fluoride anion brf-  
747 BrF+ bromine fluoride cation brf+  
748 BrCl- bromine chloride anion brcl-  
749 BrCl+ bromine chloride cation brcl+  
750 IF Iodine monofluoride if  
751 Br2 Bromine diatomic br2  
752 Br2- bromine diatomic anion br2-  
753 Br2+ bromine diatomic cation br2+  
754 ICl Iodine monochloride icl  
755 IBr Iodine monobromide ibr  
756 I2 Iodine diatomic i2  
757 I2+ Iodine diatomic cation i2+  
758 HCF Fluoromethylene hcf  
759 HCCl Chloromethylene hccl  
760 HSiF fluorosilylene hsif  
761 HSiCl Chlorosilylene hsicl  
762 HSiBr monobromosilylene hsibr  
763 CHBr bromomethylene chbr  
764 HOF Hypofluorous acid hfo  
765 DOCl Hypochlorous acid-d docl  
766 HOCl hypochlorous acid hocl  
767 HOCl+ hypochlorous acid cation hocl+  
768 HOBr Hypobromous acid hobr  
769 HOBr+ Hypobromous acid cation hobr+  
770 HOI Hypoiodous acid hoi  
771 F2H+ Fluorine, protonated f2h+  
772 FHF Hydrogen difluoride fhf  
773 FHF- Hydrogen difluoride anion fhf-  
774 ClFH+ Chlorine fluoride, F-protonated clfh+  
775 FClH+ Chlorine fluoride, Cl-protonated fclh+  
776 Cl2H+ Chlorine, protonated cl2h+  
777 CH2Br bromomethyl radical ch2br  
778 CH2F fluoromethyl radical ch2f  
779 CH2F+ fluoromethyl cation ch2f+  
780 CH2Cl+ chloromethyl cation ch2cl+  
781 CH2Cl chloromethyl radical ch2cl  
782 NH2F monofluoroamine nh2f  
783 NH2Cl chloramine nh2cl  
784 H2F2 Hydrogen fluoride dimer h2f2  
785 CH3F+ methyl fluoride cation ch3f+  
786 CD3F methylfluoride-d3 cd3f  
787 CH3F Methyl fluoride ch3f  
788 CD3Cl methyl chloride d3 cd3cl  
789 CH3Cl Methyl chloride ch3cl  
790 CH3Cl+ Methyl chloride cation ch3cl+  
791 SiH3F monofluorosilane sih3f  
792 SiH3Cl chlorosilane sih3cl  
793 CH3Br methyl bromide ch3br  
794 GeH3F monofluorogermane geh3f  
795 GeH3Cl monochlorogermane geh3cl  
796 SiH3Br bromosilane sih3br  
797 CH3I methyl iodide ch3i  
798 SiH3I Silyl Iodide sih3i  
799 NH3Cl+ protonated monochloroammonia nh3cl+  
800 CH3ClH+ methyl chloride, protonated ch3clh+  
801 NH4Cl Ammonium chloride nh4cl  
802 LiNe+ Lithium Neon cation line+  
803 Ne2 Neon diatomic ne2  
804 Ne2+ Neon diatomic cation ne2+  
805 Ar2 Argon diatomic ar2  
806 Ar2+ Argon diatomic cation ar2+  
807 Li3 Lithium trimer li3  
808 Li3+ Lithium trimer cation li3+  
809 C3 carbon trimer c3  
810 C3+ carbon trimer cation c3+  
811 SiC2 Silicon dicarbide sic2  
812 C3H3 cyclopropenyl radical cpr  
813 C3H3 Propargyl radical propargyl  
814 C3H3- Propargyl anion c3h3-  
815 C3H3+ cyclopropenyl cation cpr+  
816 C3H3+ Propargyl cation c3h3+  
817 C3H4 cyclopropene cprop  
818 CH2CCH2 allene allene  
819 CH3CCH propyne propyne  
820 C3H5 Allyl radical allyl  
821 C3H5+ Allyl cation allyl+  
822 CH3CHCH 1-propenyl radical ch3chch  
823 Zn(CH3)2 dimethyl zinc dmz  
824 C3H6 Cyclopropane c3h6  
825 CH2CHCH3 Propene propene  
826 C3H7 n-Propyl radical npropyl  
827 C3H7+ cyclopropane, protonated c3h7+  
828 CH3CHCH3 Isopropyl radical isopropyl  
829 CH3CHCH3+ Isopropyl cation prop2yl+  
830 C3H8 Propane propane  
831 SiH2(CH3)2 dimethylsilane dms  
832 Si3H8 trisilane si3h8  
833 LiCN lithium cyanide licn  
834 NaCN Sodium Cyanide nacn  
835 KCN Potassium cyanide kcn  
836 CuCN Copper cyanide cucn  
837 ZnCN Zinc monocyanide zncn  
838 ZnNC Zinc isocyanide znnc  
839 AlCN Aluminum monocyanide alcn  
840 AlNC Aluminum isocyanide alnc  
841 CN2 3H-Diazirin-3-ylidene cn2  
842 CNN Diazocarbene cnn  
843 NCN Cyanoimidogen ncn  
844 N3 azide radical n3  
845 N3- azide anion n3-  
846 N3+ azide cation n3+  
847 HCCN cyanomethylene hccn  
848 HCNN diazomethyl radical hcnn  
849 HN3 hydrogen azide hn3  
850 HN3+ Hydrazoic acid cation hn3+  
851 HNCNH diiminomethane hncnh  
852 CH2N2 diazirine ch2n2  
853 CH2NN diazomethane ch2nn  
854 NH2CN cyanamide cyanamide  
855 HNNNH+ 1,2-Triazadienium n2h3+  
856 NH2NN+ hydrazoic acid, protonated nh2nn+  
857 CH3CN Acetonitrile ch3cn  
858 CH3CN- acetonitrile anion ch3cn-  
859 CH3CN+ Acetonitrile cation ch3cn+  
860 CH3NC methyl isocyanide ch3nc  
861 CHNCH2 2H-Azirine c157164  
862 CHNHCH 1H-Azirine chnhch  
863 H2CCNH Ethenimine ch2cnh  
864 H2CNCH methyleneaminomethylene ch2nch  
865 HCCNH2 Ethynamine hccnh2  
866 HCNCH2+ 2H-Azirine cation hcnch2+  
867 HNCNH2+ diiminomethane, protonated hncnh2+  
868 NCNH3+ Cyanamide, protonated ncnh3+  
869 NH2CNH+ cyanamide, cn protonated nh2cnh+  
870 NH3CN+ cyanamide, amine protonated nh3cn+  
871 CH2CHNH vinylazine ch2chnh  
872 CH3CHN methylmethaniminyl radical ch3chn  
873 NHCHNH2 aminomethanimine cn2h4  
874 C2H5N Aziridine c2h5n  
875 CH2CHNH2 aminoethene aminoethene  
876 CH2NCH3 N-methylmethanimine nmm  
877 CH3CHNH ethanimine ethanimine  
878 NH2BHNH2 diaminoborane nh2bhnh2  
879 C2H5NH+ Protonated Aziridine c2h5nh+  
880 C2H6N+ aziridine, protonated c2h6n+  
881 NH2CH2NH2 diaminomethane nh2ch2nh2  
882 CH3CH2NH2 Ethylamine etam  
883 CH3NHCH3 Dimethylamine ch3nhch3  
884 CH3PHCH3 dimethylphosphine ch3phch3  
885 NH2CH2NH3+ diaminoethane, protonated pdam  
886 (CH3)2NH2+ dimethylammonium cation dmam  
887 CH3CH2NH3+ ethylamine, protonated pea  
888 Li2O dilithium oxide li2o  
889 Li2O+ dilithium oxide cation li2o+  
890 Li2S dilithium sulfide li2s  
891 Na2O disodium monoxide na2o  
892 Na2S Sodium sulfide na2s  
893 LiO2 Lithium dioxide lio2  
894 NaO2 Sodium superoxide nao2  
895 CCO Dicarbon monoxide cco  
896 CNO- fulminate cno-  
897 NCO isocyanato radical nco  
898 NCO- cyanate nco-  
899 SCN thiocyanato radical scn  
900 SCN- thiocyanide anion scn-  
901 BO2 Boron dioxide bo2  
902 BO2- Boron dioxide anion bo2-  
903 BO2+ Boron dioxide cation bo2+  
904 N2O Nitrous oxide n2o  
905 N2O- Nitrous oxide anion n2o-  
906 N2O+ Nitrous oxide cation n2o+  
907 NNS Nitrogen sulfide nns  
908 PPO Phosphorus oxide phosphide ppo  
909 CO2 Carbon dioxide co2  
910 CO2- Carbon dioxide anion co2-  
911 CO2+ Carbon dioxide cation co2+  
912 OCS Carbonyl sulfide cos  
913 OCS+ Carbonyl sulfide cation cos+  
914 SiO2 silicon dioxide sio2  
915 CS2 Carbon disulfide cs2  
916 CS2- Carbon disulfide anion cs2-  
917 CS2+ Carbon disulfide cation cs2+  
918 TiO2 Titanium dioxide tio2  
919 SiS2 Silicon disulfide sis2  
920 GeO2 Germanium dioxide geo2  
921 OCSe Carbonyl selenide ocse  
922 SCSe Carbon sulfide selenide scse  
923 GeS2 Germanium disulfide ges2  
924 CSe2 Carbon diselenide cse2  
925 SCTe Carbon sulfide Telluride scte  
926 NO2 Nitrogen dioxide no2  
927 NO2- Nitrogen dioxide anion no2-  
928 NO2+ Nitrogen dioxide cation no2+  
929 NSO sulfinyl amidogen NSO  
930 PO2- Phosphorus dioxide anion po2-  
931 PO2+ Phosphorus dioxide cation po2+  
932 SNO Nitrogen oxide sulfide sno  
933 AsO2 Aresenic dioxide aso2  
934 O3 Ozone o3  
935 O3- Ozone anion o3-  
936 O3+ Ozone cation o3+  
937 SO2 Sulfur dioxide so2  
938 SO2- Sulfur dioxide anion so2-  
939 SO2+ Sulfur dioxide cation so2+  
940 SSO Disulfur monoxide sso  
941 S3 Sulfur trimer s3  
942 S3- Sulfur trimer anion s3-  
943 S3+ Sulfur trimer cation s3+  
944 SeO2 Selenium dioxide seo2  
945 SeO2+ Selenium dioxide cation seo2+  
946 TeO2 Tellurium Dioxide teo2  
947 HCCO ketenyl radical ketenyl  
948 CS2H+ Carbon disulfide, protonated cs2h+  
949 HCNO fulminic acid hcno  
950 HNCO Isocyanic acid hnco  
951 HOCN cyanic acid hocn  
952 HNCS Isothiocyanic acid hncs  
953 HSCN thiocyanic acid hscn  
954 HCO2- formate anion hco2-  
955 HNNO nitrosoazane hnno  
956 HNNO+ Nitrous oxide, N-protonated hnno+  
957 NNOH+ Nitrous Oxide, O-protonated nnoh+  
958 HCOO formate neutral radical hcoo  
959 HOCO Hydrocarboxyl radical hoco  
960 HOCO+ Hydrocarboxyl cation hoco+  
961 HNO2 Nitrous acid hno2  
962 HNO2+ nitrous acid cation hno2+  
963 O3H+ protonated ozone o3h+  
964 SO2H+ protonated sulfur dioxide so2h+  
965 C2H2O Oxirene oxirene  
966 CH2CO Ketene ch2co  
967 CH2CO+ Ketene cation ch2co+  
968 HCCOH ethynol hccoh  
969 CH2CS Thioketene ch2cs  
970 Be(OH)2 Beryllium hydroxide beo2h2  
971 Mg(OH)2 Magnesium dihydroxide h2mgo2  
972 NH2NO Nitrosamide nh2no  
973 CH2O2 Dioxirane diox  
974 H2COO Dioxymethyl radical h2coo  
975 H2COO+ dioxymethyl cation h2coo+  
976 HCOOH Formic acid ch2o2  
977 H2O3 Hydrogen trioxide h2o3  
978 HSSSH trisulfane hsssh  
979 NaOCH3 Sodium methoxide naoch3  
980 CH2BOH hydroxy(methylene)borane ch2boh  
981 BH3CO Borane carbonyl bh3co  
982 CH3BO Borane, methyloxo- ch3bo  
983 CH2CHO Vinyloxy radical ch2cho  
984 CH2COH+ ketene, protonated ch2coh+  
985 CH3CO Acetyl radical ch3co  
986 CH3CO- Acetyl anion ch3co-  
987 CH3CO+ acetyl cation ch3co+  
988 CH2NOH formaldoxime ch2noh  
989 CH3NO nitrosomethane ch3no  
990 CHONH2 formamide formamide  
991 CNOH3 1,2-oxaziridine cnoh3  
992 HOCHNH hydroxymethylimine hochnh  
993 CHSNH2 thioformamide chsnh2  
994 NHCHSH Methanimidothioic acid nhchsh  
995 CH2OOH CH2OOH radical ch2ooh  
996 CH3OO methylperoxy radical ch3oo  
997 CH3OO- methylperoxy anion ch3oo-  
998 CH3OO+ methylperoxy cation ch3oo+  
999 C2H4O Ethylene oxide c2h4o  
1000 C2H4O+ ethylene oxide cation c2h4o+  
1001 CH2CHOH ethenol ch2choh  
1002 CH3CHO Acetaldehyde ch3cho  
1003 CH3CHO+ acetaldehyde cation ch3cho+  
1004 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1005 C2H4S Thiirane thiirane  
1006 CH2CHSH Ethenethiol ch2chsh  
1007 CH3CHS Thioacetaldehyde ch3chs  
1008 H2CONH2+ protonated formamide h2conh2+  
1009 NH2CHOH+ Formamide, O-protonated nh2choh+  
1010 NH3CHO+ Formamide, N-Protonated nh3cho+  
1011 CH2(OH)2 methanediol ch2o2h2  
1012 CH3OOH Methyl peroxide ch3ooh  
1013 CH3SSH Hydrogen methyl disulfide ch3ssh  
1014 HSCH2SH Methanedithiol ch4s2  
1015 H2OH2CO water formaldehyde dimer h2oh2co  
1016 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1017 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1018 CH3CH2O Ethoxy radical ethoxy  
1019 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1020 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1021 CH3OCH2 methoxymethyl radical ch3och2  
1022 NH2CH2OH aminomethanol nh2ch2oh  
1023 CH3CH2OH Ethanol etoh  
1024 CH3OCH3 Dimethyl ether meome  
1025 CH3CH2SH ethanethiol etsh  
1026 CH3SCH3 Dimethyl sulfide mesme  
1027 CH3SCH3+ dimethyl sulfide cation mesme+  
1028 CH3SeCH3 dimethylselenide dmse  
1029 CH3OHH2O methanol water dimer ch3ohh2o  
1030 H2OCH3OH water methanol dimer h2och3oh  
1031 CuF2 Copper difluoride cuf2  
1032 ZnF2 Zinc difluoride znf2  
1033 CNF iso cyanogen fluoride cnf  
1034 FCN Cyanogen fluoride fcn  
1035 ClCN chlorocyanogen clcn  
1036 BrCN Cyanogen bromide brcn  
1037 ICN Cyanogen iodide icn  
1038 FBO Boron monofluoride monoxide fbo  
1039 BeF2 Beryllium fluoride bef2  
1040 MgF2 Magnesium fluoride mgf2  
1041 BeCl2 Beryllium chloride becl2  
1042 MgCl2 Magnesium dichloride mgcl2  
1043 CaCl2 Calcium Chloride cacl2  
1044 ZnCl2 Zinc dichloride zncl2  
1045 BeBr2 Beryllium bromide bebr2  
1046 CaBr2 Calcium dibromide cabr2  
1047 CaF2 Calcium difluoride caf2  
1048 FCO Carbonyl fluoride fco  
1049 FCO+ Carbonyl fluoride cation fco+  
1050 ClCO carbonyl monochloride clco  
1051 BF2 Boron difluoride radical bf2  
1052 FNO Nitrosyl fluoride fno  
1053 ClNO Nitrosyl chloride clno  
1054 FNS Thionitrosyl fluoride fns  
1055 FSN Thiazyl fluoride fsn  
1056 OPCl Phosphorus oxychloride opcl  
1057 BrNO Nitrosyl bromide brno  
1058 INO Nitrosyl iodide ino  
1059 CF2 Difluoromethylene cf2  
1060 CF2- Difluoromethylene anion cf2-  
1061 CF2+ Difluoromethylene cation cf2+  
1062 CFCl chlorofluoromethylene cfcl  
1063 SiF2 Silicon difluoride sif2  
1064 SiF2+ Silicon difluoride cation sif2+  
1065 CCl2- dichloromethylene anion ccl2-  
1066 CCl2+ dichloromethylene cation ccl2+  
1067 SiCl2 Dichlorosilylene sicl2  
1068 GeF2 Germanium difluoride gef2  
1069 GeCl2 Germanium dichloride gecl2  
1070 CBr2 dibromomethylene cbr2  
1071 FOO Dioxygen monofluoride radical foo  
1072 FOO+ Fluorine dioxide cation foo+  
1073 ClOO chloroperoxy radical cloo  
1074 ClOO+ chloroperoxy cation cloo+  
1075 OClO Chlorine dioxide oclo  
1076 OClO- Chlorine dioxide anion oclo-  
1077 OClO+ Chlorine dioxide cation oclo+  
1078 ClSO Sulfur chloride oxide clso  
1079 ClS2 Sulfur chloride cls2  
1080 BrOO Bromine dioxide broo  
1081 OBrO Bromine dioxide radical obro  
1082 NF2 Difluoroamino radical nf2  
1083 NF2+ Difluoroamino cation nf2+  
1084 PF2 Phosphorus difluoride pf2  
1085 PF2+ Phosphorus difluoride cation pf2+  
1086 FClO chlorosyl fluoride fclo  
1087 F2O Difluorine monoxide f2o  
1088 ClOF Chlorine hypofluorite clof  
1089 SF2 sulfur difluoride sf2  
1090 SF2- sulfur difluoride anion sf2-  
1091 SF2+ sulfur difluoride cation sf2+  
1092 Cl2O Dichlorine monoxide cl2o  
1093 SCl2 Sulfur dichloride scl2  
1094 SeF2 Selenium difluoride sef2  
1095 BrOCl Bromine hypochlorite brocl  
1096 SeCl2 Selenium Dichloride secl2  
1097 SBr2 Sulfur dibromide sbr2  
1098 SeBr2 Selenium dibromide sebr2  
1099 BrOBr Bromine oxide brobr  
1100 F3- trifluoride anion f3-  
1101 Cl3- trichloride anion cl3-  
1102 Br3- tribromide anion br3-  
1103 I3- triiodide i3-  
1104 SFCl Sulfur chloride fluoride sfcl  
1105 HCCF Fluoroacetylene hccf  
1106 HCCF+ fluoroacetylene cation hccf+  
1107 HCCCl Chloroacetylene hcccl  
1108 HCCBr bromoacetylene hccbr  
1109 HFCO formyl fluoride hfco  
1110 HFCO+ formyl fluoride cation hfco+  
1111 COHCl Formyl chloride cohcl  
1112 COHBr Formyl bromide cohbr  
1113 BHF2 Difluoroborane bhf2  
1114 BHCl2 Borane, dichloro- bhcl2  
1115 CHCl2 dichloromethyl radical chcl2  
1116 CHF2 difluoromethyl radical chf2  
1117 CHF2+ difluoromethyl cation chf2+  
1118 CHFCl Chlorofluoromethyl radical chfcl  
1119 CHFCl+ Chlorofluoromethyl cation chfcl+  
1120 CHCl2+ dichloromethyl cation chcl2+  
1121 CHBr2 dibromomethyl radical chbr2  
1122 HOClO Chlorous acid hoclo  
1123 NHF2 difluoramine nhf2  
1124 NHCl2 dichloroamine nhcl2  
1125 CH2F2 Methane, difluoro- ch2f2  
1126 CH2FCl fluorochloromethane ch2fcl  
1127 SiH2F2 difluorosilane sih2f2  
1128 CH2Cl2 Methylene chloride ch2cl2  
1129 CH2BrF Methane, bromofluoro- ch2fbr  
1130 CH2BrCl Methane, bromochloro- ch2clbr  
1131 CH2FI fluoroiodomethane ch2fi  
1132 CH2Br2 dibromomethane ch2br2  
1133 CH2ClI chloroiodomethane ch2cli  
1134 CH2BrI bromoiodomethane ch2bri  
1135 CH2I2 Diiodomethane ch2i2  
1136 SiH2Cl2 dichlorosilane sih2cl2  
1137 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1138 CH2CHF Ethene, fluoro- ch2chf  
1139 CH2CHF+ fluoroethene cation ch2chf+  
1140 C2H3Cl Ethene, chloro- ch2chcl  
1141 C2H3Br vinyl bromide c2h3br  
1142 C2H3I Vinyl iodide c2h3i  
1143 CH2FOH fluoromethanol ch2foh  
1144 CH3OCl methyl hypochlorite ch3ocl  
1145 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1146 CHClCH3 1-chloroethyl radical chclch3  
1147 C2H5F fluoroethane c2h5f  
1148 CH3CH2Cl Ethyl chloride c2h5cl  
1149 CH3SiFH2 fluoromethylsilane ch3sifh2  
1150 C2H5Br Ethyl bromide etbr  
1151 C2H5I Ethyl iodide c2h5i  
1152 KrF2 Krypton difluoride krf2  
1153 XeF2 Xenon difluoride xef2  
1154 B4H10 Tetraborane(10) b4h10  
1155 C4 Carbon tetramer c4  
1156 C4+ Carbon tetramer cation c4+  
1157 C4H2 Diacetylene c4h2  
1158 C4H2+ diacetlyene cation c4h2+  
1159 C2H3CCH 1-Buten-3-yne c2h3cch  
1160 C4H4 cyclobutadiene cbd  
1161 C4H4 Tetrahedrane c4h4  
1162 H2CCCCH2 Butatriene h2cccch2  
1163 C4H6 1-Methylcyclopropene c3100047  
1164 C4H6 Cyclobutene c822355  
1165 C4H6 Methylenecyclopropane c6142730  
1166 CH2CCHCH3 1,2-Butadiene butad12  
1167 CH2CHCHCH2 1,3-Butadiene c106990  
1168 CH3CCCH3 2-Butyne c503173  
1169 CHCCH2CH3 1-Butyne c107006  
1170 CH3CHCHCH2 methylallyl radical c4h7  
1171 C4H8 methylcyclopropane mcp  
1172 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1173 CH2CHCH2CH3 1-Butene bute1  
1174 CH3CHCHCH3 2-Butene, (E)- bute2e  
1175 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1176 B(CH3)3 trimethylborane bme3  
1177 Al(CH3)3 trimethyl aluminum tma  
1178 C(CH3)3 Tert-butyl radical tbutyl  
1179 CH2CH(CH3)2 Isobutyl radical isobutyl  
1180 CH3CHCH2CH3 2-Butyl radical butyl2  
1181 CH3CH(CH3)CH3 Isobutane isobutane  
1182 CH3CH2CH2CH3 Butane butane  
1183 SiH(CH3)3 trimethylsilane trimsi  
1184 Li3N trilithium nitride li3n  
1185 C2N2 Cyanogen c2n2  
1186 C2N2+ Cyanogen cation c2n2+  
1187 P4 Phosphorus tetramer p4  
1188 As4 Arsenic tetramer as4  
1189 HCCCN Cyanoacetylene hcccn  
1190 HCCCN+ Cyanoacetylene cation hcccn+  
1191 H2CNCN cyanamide, methylene ch2ncn  
1192 HNCCNH Ethenediimine hnccnh  
1193 C3H3N acrylonitrile ch2chcn  
1194 C3H3N+ acrylonitrile cation ch2chcn+  
1195 CH3N3 methyl azide ch3n3  
1196 NH2CCNH2 Diaminoacetylene daa  
1197 NH2CH2CN Aminoacetonitrile aan  
1198 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1199 C2H5CN ethyl cyanide c2h5cn  
1200 CH5N3 Guanidine guanidine  
1201 C4H6 Bicyclo[1.1.0]butane c157335  
1202 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1203 H2NCHCHNH2 diaminoethylene dae  
1204 CH6N3+ guanidinium ch6n3+  
1205 C3H7N Cyclopropylamine cpram  
1206 CH7N3 triaminomethane tam  
1207 C3H7N Azetidine azet  
1208 C4H8 cyclobutane cbutane  
1209 C2H8N2 Ethylenediamine ethdiam  
1210 CH3NHNHCH3 dimethyl hydrazine dmh  
1211 CH3CH(NH2)CH3 2-Propanamine pram2  
1212 N(CH3)3 Trimethylamine trimeam  
1213 NH2CH2CH2CH3 1-Propanamine pram1  
1214 P(CH3)3 trimethylphosphine tmp  
1215 N(SiH3)3 trisilylamine tsa  
1216 As(CH3)3 trimethyl arsine tmas  
1217 (CH3)3NH+ protonated trimethyl amine ptma  
1218 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1219 Li2O2 dilithium dioxide li2o2  
1220 Na2O2 disodium dioxide na2o2  
1221 K2O2 dipotassium dioxide k2o2  
1222 C3O Tricarbon monoxide c3o  
1223 B2O2 Diboron dioxide b2o2  
1224 ONNO NO dimer onno  
1225 S2N2 Disulfur dinitride s2n2  
1226 CO3 Carbon trioxide co3  
1227 CO3-- carbonate co3--  
1228 CS3-- Carbonotrithioate cs3--  
1229 NO3 Nitrogen trioxide no3  
1230 NO3- nitrate anion no3-  
1231 NO3+ nitrogen trioxide cation no3+  
1232 SO3 Sulfur trioxide so3  
1233 SO3- Sulfur trioxide anion so3-  
1234 SO3-- Sulfate dianion so3--  
1235 SO3+ Sulfur trioxide cation so3+  
1236 SeO3 selenium trioxide seo3  
1237 S4 Sulfur tetramer s4  
1238 TeO3 Tellurium trioxide teo3  
1239 HCO3- bicarbonate anion hco3-  
1240 HNO3 Nitric acid hno3  
1241 HSO3 Hydroxysulfonyl radical hso3  
1242 NH2NO2 nitramide nh2no2  
1243 C2H2CO cyclopropenone c2h2co  
1244 C3H2O Propadienal c3h2o  
1245 HCCCHO 2-propynal hcccho  
1246 C2H2O2 Ethanedial c2h2o2  
1247 C2H2O2+ Ethanedial cation c2h2o2+  
1248 H2CO3 Carbonic acid h2co3  
1249 H2CS3 thiocarbonic acid h2cs3  
1250 H2NO3+ Nitric Acid, Protonated h2no3+  
1251 H2SO3 Sulfurous acid h2so3  
1252 C2H3NO Nitrosoethylene c2h3no  
1253 CH3NCO methylisocyante ch3nco  
1254 HOCH2CN cyanomethanol hoch2cn  
1255 CH3COO- acetate anion ch3coo-  
1256 CH3NO2 Methane, nitro- ch3no2  
1257 CH3ONO Methyl nitrite ch3ono  
1258 NH2COOH Carbamic acid nh2cooh  
1259 H3BO3 Boric acid h3bo3  
1260 H3AlO3 Aluminum hydroxide h3alo3  
1261 H3CO3+ carbonic acid, protonated h3co3+  
1262 C3H4O 2-Propyn-1-ol c107197  
1263 C3H4O allenol c9000071  
1264 C3H4O Cyclopropanone cpone  
1265 C3H4O Methylketene c6004440  
1266 CH2CHCHO Acrolein c3h4o  
1267 NH2CONH2 Urea urea  
1268 NH2CONH2+ Urea cation urea+  
1269 NH2CSNH2 Thiourea thiourea  
1270 C2H4O2 1,3-dioxetane c2h4o2  
1271 CH3COOH Acetic acid ch3cooh  
1272 CH3OCHO methyl formate ch3ocho  
1273 CHOCH2OH hydroxy acetaldehyde haa  
1274 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1275 NH3COOH+ protonated Carbamic acid nh3cooh+  
1276 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1277 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1278 HCOOHH2O Formic acid water dimer hcoohh2o  
1279 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1280 CH3COCH2 Acetonyl radical ch3coch2  
1281 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1282 CH3C(OH)=NH Ethaninidic acid eia  
1283 CH3CHNOH Acetaldoxime acetaldoxime  
1284 CH3CONH2 Acetamide acetamide  
1285 HCONHCH3 N-methylformamide nmfa  
1286 CH3CSNH2 Ethanethioamide ch3csnh2  
1287 CH5N2O+ urea, N-protonated ch4n2o+  
1288 H2NCOHNH2+ urea, protonated ureah+  
1289 C2H5OO ethylperoxy radical c2h5oo  
1290 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1291 C3H5OH Cyclopropanol cproh  
1292 C3H6O 2-Propen-1-ol c107186  
1293 C3H6O Acetone enol enol  
1294 C3H6O Oxetane oxetane  
1295 C3H6O Propylene oxide prox  
1296 CH3CH2CHO Propanal propanal  
1297 CH3COCH3 Acetone acetone  
1298 CH3COCH3- acetone anion ch3coch3-  
1299 C3H6S Thietane thietane  
1300 C3H6S Thiirane, methyl- methiirane  
1301 CH3CSCH3 Thioacetone ch3csch3  
1302 C2H6O2 1,2-Ethanediol ethdiol  
1303 CH3OOCH3 dimethylperoxide dmp  
1304 CH3SOCH3 Dimethyl sulfoxide dmso  
1305 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1306 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1307 CH3COHCH3+ acetone, protonated acetoneh+  
1308 HOCH2CH2NH2 monoethanolamine mea  
1309 C3H7OH 1-Propanol proh  
1310 CH3CHOHCH3 Isopropyl alcohol isoproh  
1311 CH3OC2H5 Ethane, methoxy- etome  
1312 C3H7SH 1-Propanethiol prsh  
1313 CH3CHSHCH3 2-Propanethiol isoprsh  
1314 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1315 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1316 Li2F2 Lithium fluoride dimer li2f2  
1317 Na2F2 Sodium Fluoride Dimer na2f2  
1318 Na2Cl2 Disodium dichloride na2cl2  
1319 C2F2 difluoroacetylene c2f2  
1320 C2Cl2 dichloroacetylene c2cl2  
1321 C2Cl2+ dichloroacetylene cation c2cl2+  
1322 FNO2 Nitryl fluoride fno2  
1323 FONO Nitrosyl hypofluorite fono  
1324 ClNO2 Nitryl chloride clno2  
1325 ClONO chlorine nitrite clono  
1326 BrONO Bromine nitrite brono  
1327 N2F2 (Z)-Difluorodiazene n2f2_z  
1328 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1329 CF2O Carbonic difluoride f2co  
1330 CF2O+ Carbonic difluoride cation f2co+  
1331 COFCl Carbonic chloride fluoride cofcl  
1332 CCl2O Phosgene cl2co  
1333 Cl2CS Thiophosgene cl2cs  
1334 COBr2 Carbonic dibromide cobr2  
1335 BF3 Borane, trifluoro- bf3  
1336 BF3- Borane, trifluoro- anion bf3-  
1337 BF3+ boron trifluoride cation bf3+  
1338 AlF3 Aluminum trifluoride alf3  
1339 BClF2 Chlorodifluoroborane bclf2  
1340 AlF2Cl Aluminum chloride difluoride alclf2  
1341 ScF3 Scandium trifluoride ScF3  
1342 AlFCl2 Aluminum dichloride fluoride alcl2f  
1343 BCl3 Borane, trichloro- bcl3  
1344 BCl3+ Boron Trichloride cation bcl3+  
1345 GaF3 Gallium trifluoride gaf3  
1346 AlCl3 Aluminum trichloride alcl3  
1347 GaCl3 Gallium trichloride gacl3  
1348 BBr3 Boron tribromide bbr3  
1349 AlBr3 Aluminum Bromide albr3  
1350 ClO3 Chlorine trioxide clo3  
1351 ClO3- chlorate anion clo3-  
1352 BrO3- Bromate anion bro3-  
1353 CF3 Trifluoromethyl radical cf3  
1354 CF3- Trifluoromethyl anion cf3-  
1355 CF3+ Trifluoromethyl cation cf3+  
1356 CF2Cl difluorochloromethyl radical cf2cl  
1357 SiF3 Silicon trifluoride radical sif3  
1358 SiF3+ Silicon trifluoride cation sif3+  
1359 CFCl2 dichlorofluoromethyl radical cfcl2  
1360 CCl3 Trichloromethyl radical ccl3  
1361 CCl3- Trichloromethyl anion ccl3-  
1362 CCl3+ Trichloromethyl cation ccl3+  
1363 SiCl3 trichlorosilyl radical sicl3  
1364 SiCl3+ trichlorosilyl cation sicl3+  
1365 CBr3 tribromomethyl radical cbr3  
1366 FOOF Perfluoroperoxide foof  
1367 ClO2F Chloryl fluoride clo2f  
1368 F2SO Thionyl Fluoride f2so  
1369 ClOOCl Dichlorine dioxide cloocl  
1370 FSSF Difluorodisulfane fssf  
1371 S2F2 Thio-thionyl fluoride s2f2  
1372 SOCl2 thionyl chloride socl2  
1373 SSCl2 Thiothionyl chloride sscl2  
1374 SeOCl2 selenium oxychloride seocl2  
1375 NF3 Nitrogen trifluoride nf3  
1376 NF3- Nitrogen trifluoride anion nf3-  
1377 NF3+ Nitrogen trifluoride cation nf3+  
1378 PF3 Phosphorus trifluoride pf3  
1379 NCl3 nitrogen trichloride ncl3  
1380 AsF3 Arsenic trifluoride asf3  
1381 PCl3 Phosphorus trichloride pcl3  
1382 SbF3 Antimony Trifluoride sbf3  
1383 AsCl3 Arsenous trichloride ascl3  
1384 SbCl3 Antimony Trichloride sbcl3  
1385 NBr3 Nitrogen Tribromide nbr3  
1386 PBr3 Phosphorus tribromide pbr3  
1387 AsBr3 Arsenic tribromide asbr3  
1388 NI3 Nitrogen triiodide ni3  
1389 PI3 Phosphorus triiodide pi3  
1390 ClSSCl Disulfur dichloride s2cl2  
1391 SF3 Sulfur trifluoride sf3  
1392 ClF3 Chlorine trifluoride clf3  
1393 BrF3 Bromine trifluoride brf3  
1394 IF3 iodone trifluoride if3  
1395 HClO3 Chloric Acid hclo3  
1396 CHF3 Methane, trifluoro- chf3  
1397 CHF2Cl difluorochloromethane chf2cl  
1398 SiHF3 trifluorosilane sihf3  
1399 CHFCl2 fluorodichloromethane chfcl2  
1400 CDCl3 trichloromethane-d cdcl3  
1401 CHCl3 Chloroform chcl3  
1402 CHBrF2 Methane, bromodifluoro- chbrf2  
1403 SiHCl3 Trichlorosilane sihcl3  
1404 CHFClBr fluorochlorobromomethane chfclbr  
1405 CHBrCl2 Methane, bromodichloro- chbrcl2  
1406 CHF2I difluoroiodomethane chf2i  
1407 CHBr2F dibromofluoromethane chbr2f  
1408 CHFClI fluorochloroiodomethane chfcli  
1409 CHCl2I dichloroiodomethane chcl2i  
1410 CHClBr2 Methane, dibromochloro- chclbr2  
1411 CHBr3 bromoform chbr3  
1412 CHI3 Iodoform chi3  
1413 NF3H+ protonated nitrogen trifluoride nf3h+  
1414 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1415 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1416 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1417 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1418 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1419 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1420 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1421 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1422 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1423 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1424 C2H2Br2 1,1-dibromoethene c2h2br2  
1425 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1426 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1427 CH2FCHO Fluoroacetaldehyde ch2fcho  
1428 CH3COF Acetyl fluoride ch3cof  
1429 CH2ClCHO chloroacetaldehyde ch2clcho  
1430 CH3COCl Acetyl Chloride ch3cocl  
1431 C2H4F2 1,2-difluoroethane c2h4f2  
1432 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1433 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1434 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1435 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1436 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1437 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1438 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1439 CH2CFCH3 2-fluoropropene 2fpro  
1440 CH2CHCH2F Allyl Fluoride allylf  
1441 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1442 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1443 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1444 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1445 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1446 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1447 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1448 CH2FCH2CH3 1-Fluoropropane prf1  
1449 CH3CHFCH3 2-Fluoropropane prf2  
1450 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1451 CH3CHClCH3 Propane, 2-chloro- prcl2  
1452 CH3CH2CH2Br n-propyl bromide prbr  
1453 CH3CHBrCH3 i-propyl bromide iprbr  
1454 C3H9O+ trimethyl oxonium cation c3h9o+  
1455 B5H9 pentaborane9 b5h9  
1456 C5H4 pentatetraene ptrene  
1457 C5H5 cyclopentadienyl radical c5h5  
1458 C5H5- cylopentadienyl anion c5h5-  
1459 C5H6 1,3-Cyclopentadiene c542927  
1460 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1461 C5H6 3-Penten-1-yne, (E)- c2004695  
1462 C5H6 3-Penten-1-yne, (Z)- c1574409  
1463 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1464 C5H6 Cyclopropylacetylene c6746947  
1465 C5H6 Propellane propellane  
1466 C5H7 1,3-pentadienyl radical pdyl  
1467 C5H7 cyclopentenyl radical cpyl  
1468 C5H8 1,2-Butadiene, 3-methyl- c598254  
1469 C5H8 1,2-Pentadiene c591957  
1470 C5H8 1,3-Butadiene, 2-methyl- c78795  
1471 C5H8 1,3-Pentadiene, (E)- c2004708  
1472 C5H8 1,3-Pentadiene, (Z)- c1574410  
1473 C5H8 1,4-Pentadiene c591935  
1474 C5H8 1-pentyne a1pentyne  
1475 C5H8 2,3-Pentadiene c591968  
1476 C5H8 Bicyclo[1.1.1]pentane bcp  
1477 C5H8 Cyclobutane, methylene- c1120565  
1478 C5H8 Cyclopentene c142290  
1479 C5H8 Ethenylcyclopropane c693867  
1480 CH3CCCH2CH3 2-Pentyne 2pentyne  
1481 C5H10 1-Butene, 2-methyl- c563462  
1482 C5H10 2-Butene, 2-methyl- c513359  
1483 C5H10 2-Pentene, (E)- c646048  
1484 C5H10 2-Pentene, (Z)- c627203  
1485 C5H10 Cyclopentane c287923  
1486 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1487 CH2CHCH2CH2CH3 1-pentene pentene  
1488 C5H11 2-Methylbut-2-yl radical c4348350  
1489 C5H12 Butane, 2-methyl- buta2  
1490 C5H12 Pentane pentane  
1491 C5H12 Propane, 2,2-dimethyl- neopentane  
1492 Si(CH3)4 tetramethylsilane tms  
1493 N2O3 Dinitrogen trioxide n2o3  
1494 C3H2N2 Malononitrile c3h2n2  
1495 CH2N4 1H-Tetrazole 1htz  
1496 C3H3N2 imidazolyl radical im  
1497 C3H3N2- imidizolyl anion im-  
1498 C2H3N3 1H-1,2,4-Triazole c288880  
1499 C4H4N pyrrolide radical c4h4n  
1500 C4H4N- pyrrolide anion c4h4n-  
1501 C3H4N2 1H-Imidazole 1himidaz  
1502 C3H4N2 1H-Pyrazole 1hpyraz  
1503 C3H4N2 2H-Imidazole imid2h  
1504 C3H4N2 4H-Imidazole imid4h  
1505 C4H5N (E)-2-Butenenitrile c627269  
1506 C4H5N (Z)-2-Butenenitrile c1190767  
1507 C4H5N 2H-pyrrole pyrrole2  
1508 C4H5N 3H-pyrrole pyrrole3  
1509 C4H5N Cyclopropanecarbonitrile c5500210  
1510 C4H5N Pyrrole pyrrole  
1511 CH2CHCH2CN Allylcyanide ch2chch2cn  
1512 C4H6N+ pyrrole, alpha-protonated appyr  
1513 C4H6N+ pyrrole, beta-protonated bppyr  
1514 C4H6N+ pyrrole, protonated ppyr  
1515 C3H6N2 3-Aminopropionitrile c151188  
1516 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1517 CH3CH2CH2CN Butanenitrile c109740  
1518 C5H8 Bicyclo[2.1.0]pentane c185944  
1519 C5H8 Spiropentane c157404  
1520 C4H9N Cyclobutylamine cbam  
1521 C4H9N Pyrrolidine pyrrolidine  
1522 C3H10N2 1,2-Diaminopropane diampr12  
1523 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1524 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1525 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1526 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1527 NH(C2H5)2 diethylamine dea  
1528 NC4H12+ tetramethyl ammonium cation nc4h12+  
1529 C3O2 Carbon suboxide c3o2  
1530 C3O2+ Carbon suboxide cation c3o2+  
1531 B2O3 diboron trioxide b2o3  
1532 MgCO3 Magnesium Carbonate mgco3  
1533 BeCO3 Beryllium Carbonate beco3  
1534 CaCO3 Calcium Carbonate caco3  
1535 ONONO Nitrosyl nitrite onono  
1536 PO4--- phosphate po4---  
1537 SO4-- sulfate so4--  
1538 HOONO2 peroxy nitric acid hoono2  
1539 HSO4- bisulfate anion hso4-  
1540 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1541 C3H2O2 Propiolic acid c3h2o2  
1542 CHOCOOH oxo acetic acid oaa  
1543 CHOOCHO diformyl ether choocho  
1544 H2SO4 Sulfuric acid h2so4  
1545 H2SeO4 Selenic acid h2seo4  
1546 C3H3NO Isoxazole isox  
1547 C3H3NO Oxazole oxazole  
1548 C3H3NS Thiazole thiazole  
1549 CH3C(O)OO acetyl peroxy radical ch3coo2  
1550 CH3NO3 Methyl nitrate ch3no3  
1551 H3PO4 Phosphoric Acid h3po4  
1552 C4H4O Furan furan  
1553 C4H4O+ Furan cation furan+  
1554 CH3COCCH 3-butyn-2-one c1423605  
1555 C4H4S Thiophene furans  
1556 C4H4Se selenophene c4h4se  
1557 C3H4O2 β–Propiolactone beta  
1558 C3H4O2 2-Propenoic acid propenoic2  
1559 C3H4O2 Methyl glyoxal megly  
1560 C3H4O2 propanedial propanedial  
1561 C3H4O2 propenalol propenalol  
1562 HOCHCCHOH allenediol aldiol  
1563 C2H4O3 1,2,3-trioxolane c2h4o3  
1564 C2H4O3 trioxolane124 triox  
1565 HOCH2COOH Hydroxyacetic acid hac  
1566 CH2CHCONH2 Acrylamide c79061  
1567 CH3OCH2CN Methoxyacetonitrile c1738369  
1568 CH5N3S Hydrazinecarbothioamide c79196  
1569 H2NCH2COOH Glycine glycine  
1570 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1571 C4H6O cis-2-butenal butenal2c  
1572 C4H6O Cyclobutanone cbutone  
1573 C4H6O Furan, 2,3-dihydro- furan23h  
1574 C4H6O Furan, 2,5-dihydro- furan25h  
1575 CH2CHOCHCH2 Vinyl ether vinylether  
1576 CHOCHCHCH3 2-Butenal butenal2  
1577 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1578 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1579 CH2CHSCHCH2 Divinyl sulfide divis  
1580 C2H6N2O Urea, methyl- c598505  
1581 C3H6O2 1,3-Dioxolane dioxolane  
1582 CH3CH2COOH Propanoic Acid propanoic  
1583 CH3COOCH3 methyl acetate aame  
1584 HCOOC2H5 Ethyl formate faee  
1585 C2H6O2S Dimethyl sulfone c67710  
1586 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1587 C3H7NO dimethylformamide dmf  
1588 C3H7NO Propanamide propanam  
1589 C2H3OC2H5 Ethene, ethoxy- c109922  
1590 C4H8O Cyclobutanol c2919235  
1591 C4H8O Furan, tetrahydro- thf  
1592 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1593 CH3COCH2CH3 2-Butanone buta2one  
1594 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1595 CHOCH2CH2CH3 Butanal butanal  
1596 C4H8S Thiophene, tetrahydro- tht  
1597 C3H8O2 1,3-Propanediol c504632  
1598 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1599 C3H8O2 Methane, dimethoxy- c109875  
1600 C3H8O2 Propylene glycol c57556  
1601 C3H8S2 1,3-Propanedithiol c109808  
1602 C4H10O 1-Butanol butanol1  
1603 C4H10O 1-Propanol, 2-methyl- c78831  
1604 C4H10O 2-Butanol, (.+/-.)- butanol2  
1605 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1606 C4H10O Ethoxy ethane etoet  
1607 C4H10O Methyl propyl ether meopr  
1608 C4H10O Propane, 2-methoxy- c598538  
1609 C4H10O+ 1-Butanol cation butanol1+  
1610 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1611 C2H5SC2H5 Diethyl sulfide etset  
1612 C4H9SH 1-Butanethiol bush  
1613 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1614 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1615 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1616 FNO3 Fluorine nitrate fno3  
1617 ClONO2 Chlorine nitrate clono2  
1618 BrONO2 Bromine nitrate brono2  
1619 TiCl4 Titanium tetrachloride ticl4  
1620 ClO4- perchlorate anion clo4-  
1621 BF4- tetrafluoroboron anion bf4-  
1622 ClFO3 Perchloryl fluoride clfo3  
1623 SO2F2 Sulfuryl fluoride so2f2  
1624 SO2Cl2 Sulfuryl chloride so2cl2  
1625 F3NO Nitrogen trifluoride oxide f3no  
1626 F3PO Phosphoryl fluoride pf3o  
1627 Cl3PO Phosphoryl chloride pcl3o  
1628 CF4 Carbon tetrafluoride cf4  
1629 CF3Cl Methane, chlorotrifluoro- cf3cl  
1630 SiF4 Silicon tetrafluoride sif4  
1631 CF2Cl2 difluorodichloromethane cf2cl2  
1632 TiF4 Titanium tetrafluoride tif4  
1633 CFCl3 Trichloromonofluoromethane cfcl3  
1634 CF3Br Bromotrifluoromethane cf3br  
1635 GeF4 Germanium tetrafluoride gef4  
1636 CCl4 Carbon tetrachloride ccl4  
1637 CCl4+ Carbon tetrachloride cation ccl4+  
1638 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1639 SiCl4 Silane, tetrachloro- sicl4  
1640 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1641 CF3I trifluoroiodomethane cf3i  
1642 CBrCl3 Methane, bromotrichloro- cbrcl3  
1643 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1644 GeCl4 Germanium Tetrachloride gecl4  
1645 CBr2ClF dibromochlorofluoromethane cbr2clf  
1646 CBr2Cl2 dibromodichloromethane cbr2cl2  
1647 CCl3I trichloroiodomethane ccl3i  
1648 CFBr3 fluorotribromomethane cfbr3  
1649 CFClBrI fluorochlorobromoiodomethane cfclbri  
1650 CBr3Cl tribromochloromethane cbr3cl  
1651 CF2I2 difluorodiiodomethane cf2i2  
1652 CBr4 Carbon tetrabromide cbr4  
1653 CCl2I2 dichlorodiiodomethane ccl2i2  
1654 SiBr4 Silicon tetrabromide sibr4  
1655 CBr3I tribromoiododmethane cbr3i  
1656 GeBr4 Germanium tetrabromide gebr4  
1657 CI4 tetraiodomethane ci4  
1658 SiI4 silicon tetraiodide sii4  
1659 ClOF3 Chlorine trifluoride oxide clof3  
1660 SF4 Sulfur tetrafluoride sf4  
1661 SeF4 Selenium tetrafluoride sef4  
1662 SCl4 Sulfur tetrachloride scl4  
1663 C2HF3 Trifluoroethylene c2hf3  
1664 C2HF3+ Trifluoroethylene cation c2hf3+  
1665 CHClCCl2 Trichloroethylene chclccl2  
1666 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1667 HClO4 perchloric acid hclo4  
1668 HSO3F Fluorosulfonic acid hso3f  
1669 CF3OH trifluoromethanol cf3oh  
1670 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1671 CHClCCHCl 1,3-dichloroallene chclcchcl  
1672 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1673 CHCl2CHO dichloroacetaldehyde chcl2cho  
1674 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1675 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1676 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1677 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1678 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1679 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1680 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1681 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1682 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1683 NH3BCl3 Amminetrichloroboron nh3bcl3  
1684 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1685 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1686 C3H5ClO Oxirane, (chloromethyl)- c106898  
1687 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1688 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1689 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1690 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1691 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1692 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1693 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1694 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1695 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1696 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1697 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1698 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1699 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1700 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1701 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1702 C4H9F 1-fluorobutane butaf1  
1703 CH3CHFCH2CH3 2-fluorobutane butaf2  
1704 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1705 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1706 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1707 XeF4 Xenon tetrafluoride xef4  
1708 C2H2N2O Furazan furazan  
1709 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1710 NH3BF3 Amminetrifluoroboron nh3bf3  
1711 C6H2 hexatriyne c6h2  
1712 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1713 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1714 C6H4 Benzyne benzyne  
1715 C6H5 phenyl phenyl  
1716 C6H5- phenyl anion phenyl-  
1717 C6H6 Prismane prismane  
1718 C6H6 1,2,4,5-Hexatetraene ht1245  
1719 C6H6 2,4-Hexadiyne hexadiyne  
1720 C6H6 3,4-Dimethylenecyclobutene cb34m  
1721 C6H6 Benzene benzene  
1722 C6H6 Benzvalene bv  
1723 C6H6 Dewar Benzene dewar  
1724 C6H6 Hexa-1,5-diene-3-yne hdy153  
1725 C6H6 Trimethylenecycopropane tmcp  
1726 C6H6+ Benzene cation c6h6+  
1727 C6H7+ benzene, protonated c6h7+  
1728 C6H8 (E)-hexa-1,3,5-triene c821078  
1729 C6H8 (E)-hexa-2,3,4-triene c59660650  
1730 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1731 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1732 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1733 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1734 C6H8 3-Methylenecyclopentene c930267  
1735 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1736 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1737 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1738 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1739 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1740 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1741 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1742 C6H10 1,5-Hexadiene c592427  
1743 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1744 C6H10 1-Hexyne hexyne1  
1745 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1746 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1747 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1748 C6H10 2-Hexyne c764352  
1749 C6H10 3-Hexyne hexyne3  
1750 C6H10 cyclohexene cyclohexene  
1751 C6H10 Cyclopentene, 1-methyl- c693890  
1752 C6H10 Cyclopentene, 3-methyl- c1120623  
1753 C6H10 Cyclopentene, 4-methyl- c1759815  
1754 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1755 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1756 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1757 C6H12 (E)-2-Hexene e2hexene  
1758 C6H12 (E)-3-methylpent-2-ene c616126  
1759 C6H12 (E)-hex-3-ene e3hexene  
1760 C6H12 (Z)-3-methylpent-2-ene c922623  
1761 C6H12 (Z)-hex-2-ene z2hexene  
1762 C6H12 (Z)-hex-3-ene z3hexene  
1763 C6H12 2,3-dimethylbut-1-ene c563780  
1764 C6H12 2,3-dimethyl-but-2-ene tmeet  
1765 C6H12 3-methylenepentane c760214  
1766 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1767 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1768 C6H12 Cyclohexane cyclohexane  
1769 C6H12 Cyclopentane, methyl- c96377  
1770 C6H12 Ethylcyclobutane c4806615  
1771 C6H12 hex-1-ene hexene1  
1772 C6H14 Butane, 2,2-dimethyl- buta22  
1773 C6H14 Butane, 2,3-dimethyl- buta23  
1774 C6H14 Hexane hexane  
1775 C6H14 Pentane, 2-methyl- penta2  
1776 C6H14 Pentane, 3-methyl- penta3  
1777 C4N2 2-Butynedinitrile c4n2  
1778 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1779 C4H2N2 Fumaronitrile c4h2n2  
1780 C2H2N4 sym-tetrazine ttz  
1781 C3H3N3 1,3,5-Triazine triazine135  
1782 CH3N5 5-Aminotetrazole c4418615  
1783 C4H4N2 1,3-Diazine diazine13  
1784 C4H4N2 Pyrazine pyrazine  
1785 C4H4N2 Pyridazine pyridazine  
1786 C4H4N2 Succinonitrile c110612  
1787 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1788 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1789 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1790 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1791 C5H5N E-2,4-pentadienenitrile bdcn  
1792 C5H5N Pyridine pyridine  
1793 B3N3H6 borazine borazine  
1794 C6H6 Fulvene fulvene  
1795 C5H6N+ Pyridinium c5h6n  
1796 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1797 C5H7N (E)-2-Pentenenitrile c26294984  
1798 C5H7N (E)-3-Pentenenitrile c16529661  
1799 C5H7N (Z)-2-Pentenenitrile c25899507  
1800 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1801 C5H7N Cyclobutanecarbonitrile c4426113  
1802 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1803 C5H9N Butanenitrile, 2-methyl- c18936179  
1804 C5H9N Pentanenitrile c110598  
1805 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1806 C6H10 Bicyclo[3.1.0]hexane c285585  
1807 C5H11N Cyclopentanamine cypentam  
1808 C5H11N Piperidine piper  
1809 C4H12N2 1,2-Butanediamine c4426486  
1810 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1811 Li2CO3 Lithium Carbonate li2co3  
1812 Na2CO3 Sodium Carbonate na2co3  
1813 C2O4-- oxalate anion c2o4  
1814 MgSO4 Magnesium Sulfate mgso4  
1815 N2O4 Dinitrogen tetroxide n2o4  
1816 C3H2O3 vinylene carbonate vica  
1817 C2H2O4 Oxalic Acid oxalic  
1818 C2H3NO3 Oxamic acid oxamic  
1819 C4H4O2 2(5H)-Furanone furanone  
1820 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1821 C2H4N2O2 Oxalamide oxalamide  
1822 C2H4N2S2 Ethanedithioamide c79403  
1823 C2H4CO3 Ethylene carbonate etco3  
1824 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1825 C3H4S3 1,3-Dithiolane-2-thione c822388  
1826 C2H4O4 Formic acid dimer fadimer  
1827 C4H5NO 3-Methylisoxazole isox3m  
1828 C4H5NO Isoxazole, 5-methyl- c5765446  
1829 C4H5NS 4-Methylthiazole c693958  
1830 C2H5NO3 Nitric acid, ethyl ester c625581  
1831 C5H6O 2H-Pyran pyran2  
1832 C5H6O 2-methylfuran furan2m  
1833 C5H6O 3-Methylfuran furan3m  
1834 C5H6O Pentadienal pdal  
1835 C5H6S Thiophene, 2-methyl- c554143  
1836 C5H6S Thiophene, 3-methyl- c616444  
1837 C4H6O2 γ–Butyrolactone c96480  
1838 C4H6O2 2,3-Butanedione c431038  
1839 C4H6O2 2-Propenoic acid, methyl ester c96333  
1840 C4H6O2 Crotonic Acid crot  
1841 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1842 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1843 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1844 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1845 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1846 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1847 C4H6OS Vinyl sulfoxide c1115157  
1848 CH6N4S Carbonothioic dihydrazide thiacarb  
1849 C2H6N2O2 (E)-Azodioxymethane c37765154  
1850 C2H6N2O2 Dimethylnitroamine c4164287  
1851 C3H6O3 1,3,5-Trioxane trioxane  
1852 C3H6S3 1,3,5-Trithiane c3h6s3  
1853 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1854 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1855 C4H7NO 2-Pyrrolidinone c616455  
1856 C4H7NO Ethoxyacetonitrile etoaccn  
1857 C4H7NO Methacrylamide c79390  
1858 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1859 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1860 C3H7ONO Propyl nitrite prono  
1861 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1862 CH3CH(NH2)COOH Alanine alanine  
1863 CH3NHCH2COOH Sarcosine sarcosine  
1864 NH2CH2CH2COOH β–alanine betaalanine  
1865 NH2COOC2H5 Urethane urethane  
1866 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1867 C5H8O Cyclopentanone c120923  
1868 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1869 C5H8O Methyl cyclopropyl ketone c765435  
1870 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1871 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1872 NH2CONHC2H5 Urea, ethyl- c625525  
1873 C4H8O2 1,3-Dioxane dioxan13  
1874 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1875 C4H8O2 1,4-Dioxane dioxan14  
1876 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1877 C4H8O2 Ethyl acetate c141786  
1878 C4H8OS s-Ethyl thioacetate c625605  
1879 C3H8O3 1,2,3-Propanetriol glycerin  
1880 C3H8O2S (Methylsulfonyl)ethane c594434  
1881 C4H9NO Butanamide c541355  
1882 C4H9NO Propanamide, 2-methyl- c563837  
1883 C5H10O 2-Butanone, 3-methyl- c563804  
1884 C5H10O 2H-Pyran, tetrahydro- c142687  
1885 C5H10O 2-methylbutyraldehyde 2meba  
1886 C5H10O 2-Pentanone mpk  
1887 C5H10O 3-Pentanone dek  
1888 C5H10O Cyclopentanol c96413  
1889 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1890 C5H10O Pentanal pal  
1891 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1892 C5H10S 3-Ethylthio-1-propene c5296628  
1893 C5H10S Cyclopentanethiol c1679078  
1894 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1895 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1896 C4H10O2 1,1-Dimethoxyethane c534156  
1897 C4H10O2 1,3-Butanediol budiol13  
1898 C4H10O2 1,4-Butanediol budiol14  
1899 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1900 C4H10OS Diethyl sulfoxide c70291  
1901 C4H10S2 1,4-Butanedithiol budisl14  
1902 C4H11NO Diethylhydroxylamine c3710847  
1903 C5H12O 1-Butanol, 2-methyl- c137326  
1904 C5H12O 1-Butanol, 3-methyl- c123513  
1905 C5H12O 1-Pentanol pentanol1  
1906 C5H12O 2-Butanol, 3-methyl- c598754  
1907 C5H12O 2-Pentanol peol2  
1908 C5H12O 3-Pentanol pentan3ol  
1909 C5H12O Butane, 1-methoxy- meobu  
1910 C5H12O Propane, 1-ethoxy- proet  
1911 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1912 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1913 C5H12S 1-Butanethiol, 3-methyl- c541311  
1914 C5H12S 1-Pentanethiol c110667  
1915 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1916 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1917 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1918 C5H12S Butane, 1-(methylthio)- c628295  
1919 C5H12S Ethyl propyl sulfide c4110503  
1920 C5H12S Propane, 2-(ethylthio)- c5145993  
1921 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1922 C4F2 difluorobutadiyne c4f2  
1923 ClCOClCO Oxalyl chloride oxcl  
1924 CF3CN Acetonitrile, trifluoro- cf3cn  
1925 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1926 B2F4 Diboron tetrafluoride b2f4  
1927 B2Cl4 Diboron tetrachloride b2cl4  
1928 C2F4 Tetrafluoroethylene c2f4  
1929 C2F4+ Tetrafluoroethylene cation c2f4+  
1930 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1931 CF2CCl2 difluorodichloroethylene cf2ccl2  
1932 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1933 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1934 C2FCl3 fluorotrichloroethene c2fcl3  
1935 C2Cl4 Tetrachloroethylene c2cl4  
1936 C2Br4 tetrabromoethene c2br4  
1937 CF3OF Trifluoromethylhypofluorite cf3of  
1938 SiF5- silicon pentafluoride anion sif5-  
1939 SOF4 Sulfur tetrafluoride oxide sof4  
1940 PF5 Phosphorus pentafluoride pf5  
1941 AsF5 Arsenic pentafluoride asf5  
1942 PCl5 Phosphorus pentachloride pcl5  
1943 SF5 Sulfur pentafluoride sf5  
1944 SF5+ pentafluoro sulfur cation sf5+  
1945 SbCl5 Antimony pentachloride sbcl5  
1946 BrF5 bromine pentafluoride brf5  
1947 ClF5 chlorinepentafluoride clf5  
1948 IF5 pentafluoroiodine if5  
1949 CF3CHO trifluoroacetaldehyde cf3cho  
1950 CCl3CHO trichloroacetaldehyde ccl3cho  
1951 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1952 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1953 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1954 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1955 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1956 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1957 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1958 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1959 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1960 CF3COOH trifluoroacetic acid cf3cooh  
1961 C4H3ClO Furan, 2-chloro fur2cl  
1962 C4H3ClO Furan,3-chloro fur3cl  
1963 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1964 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1965 C4H8Cl2 1,4-Dichlorobutane c110565  
1966 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1967 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1968 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1969 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1970 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1971 C5H11Cl Pentane, 1-chloro- pencl1  
1972 C4H8O2 Butanoic acid bua  
1973 C6H5CH2 benzyl radical benzyl  
1974 C7H7 cycloheptatrienyl radical c7h7  
1975 C7H7+ cycloheptatrienyl cation c7h7+  
1976 C6H5CH3 toluene toluene  
1977 C7H8 cycloheptatriene cht  
1978 C7H8 Norbornadiene norbor  
1979 C7H8 Quadricyclane qucy  
1980 C7H12 Norbornane nor  
1981 C7H14 cycloheptane c7h14  
1982 C7H16 2-methylhexane 2mhex  
1983 C7H16 3-methylhexane hex3m  
1984 C7H16 heptane heptane  
1985 CH(CN)3 tricyanomethane mecn3  
1986 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1987 C6H7N 2-Methylpyridine mp  
1988 C6H5NH2 aniline aniline  
1989 C6H13N 2-Methylpiperidine pip2m  
1990 C6H13N cyclohexanamine cham  
1991 C6H15N triethylamine tea  
1992 N2O5 Dinitrogen pentoxide n2o5  
1993 C4H2O3 Maleic Anhydride malan  
1994 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1995 C5H4O2 furfural furfural  
1996 C6H5O phenoxy radical phenoxy  
1997 C5H5NO 2(1H)-Pyridinone c72762006  
1998 C5H5NO 2(3H)-Pyridinone c9000048  
1999 C5H5NO 2(5H)-Pyridinone c9000037  
2000 C5H5NO 2-Pyridinol c109104  
2001 C5H5NO 3(2H)-Pyridinone c9000004  
2002 C5H5NO 3(4H)-Pyridinone c9000026  
2003 C5H5NO 3(6H)-Pyridinone c9000015  
2004 C5H5NO 3-Pyridinol c109002  
2005 C5H5NO 4(1H)-Pryidinone c9000060  
2006 C5H5NO 4(3H)-Pryidinone c9000059  
2007 C5H5NO 4-Pyridinol c626642  
2008 C6H5OH phenol phenol  
2009 C6H6O 2,4-Cyclohexadienone c24599573  
2010 C6H6O 2,5-Cyclohexadienone c5664335  
2011 C6H5SH Benzenethiol phsh  
2012 HO2CCHNH2CH2OH Serine serine  
2013 C5H8O2 Acetylacetone acac  
2014 C4H8O2S Sulfolane sulfolane  
2015 C7H10 Norbornene norbornene  
2016 CH(C2H3)3 trivinyl methane tvm  
2017 C6H10O cyclohexanone chexo  
2018 C6H12O hexanal c6h12o  
2019 C6H12O Oxepane oxepane  
2020 C3H7OC3H7 di-n-propyl ether propr  
2021 F2CCCF2 tetrafluoroallene pfa  
2022 CF3COO- trifluoro acetate anion cf3coo-  
2023 CF3COF trifluoroacetyl fluoride cf3cof  
2024 CF3COCl trifluoroacetyl chloride cf3cocl  
2025 PF6 Hexafluorophosphate neutral pf6  
2026 PF6- Hexafluorophosphate ion pf6-  
2027 SF6 Sulfur Hexafluoride sf6  
2028 SeF6 Selenium hexafluoride sef6  
2029 SF5Cl sulfur chloropentafluoride sf5cl  
2030 CF3CHF2 pentafluoroethane cf3chf2  
2031 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2032 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2033 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2034 CCl3CHCl2 pentachloroethane ccl3chcl2  
2035 C6H5F Fluorobenzene bzf  
2036 C6H5Cl chlorobenzene bzcl  
2037 C6H5Br bromobenzene bzbr  
2038 C8H6 Calicene calicene  
2039 C6H5CCH phenylacetylene phac  
2040 C8H6 benzocyclobutadiene bcbd  
2041 C8H6 Pentalene pentalene  
2042 C6H5CHCH2 Styrene styrene  
2043 C8H8 cubane cubane  
2044 C8H8 cyclooctatetraene cot  
2045 C6H5CH2CH3 Ethylbenzene etbz  
2046 CH3C6H4CH3 meta-xylene mxylene  
2047 CH3C6H4CH3 paraxylene pxylene  
2048 C8H14 Bicyclo[2.2.2]octane bico222  
2049 C8H16 cyclooctane cyclooct  
2050 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2051 C8H18 Octane c8h18  
2052 C6H5CN phenyl cyanide phcn  
2053 C6H12N2 Triethylenediamine ted  
2054 C4O4-- squarate dianion c4o4--  
2055 S4N4 Tetrasulfur tetranitride s4n4  
2056 S8 Octasulfur s8  
2057 C6H4O2 parabenzoquinone pbq  
2058 C4H4N2O2 Uracil uracil  
2059 C6H5CHO benzaldehyde benzal  
2060 C6H5OCH3 Anisole anisole  
2061 C5H9NO2 Proline proline  
2062 C6H12O2 Methyl pivalate c598981  
2063 C6H12O2 Hexanoic acid hexa  
2064 C4F4 tetrafluorcyclobutadiene c4f4  
2065 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2066 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2067 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2068 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2069 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2070 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2071 C2F6 hexafluoroethane c2f6  
2072 C2Cl6 hexachloroethane c2cl6  
2073 IF7 Iodine heptafluoride if7  
2074 C6H4F2 metadifluorobenzene mdfb  
2075 C6H4F2 orthodifluorobenzene odfb  
2076 C6H4F2 1,4-difluorobenzene pdfb  
2077 C6H4Cl2 1,2-dichlorobenzene dcb12  
2078 C6H4Cl2 1,3-dichlorobenzene dcb13  
2079 C6H4Cl2 1,4-dichlorobenzene dcb14  
2080 C6H5NO nitrosobenzene bzno  
2081 C9H8 Indene indene  
2082 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2083 C9H12 n-propyl benzene prbz  
2084 C9H20 Nonane nonane  
2085 C(CN)4 tetracyanomethane c5n4  
2086 C5H4N4 purine purine  
2087 C8H7N Indole indole  
2088 C3H3N3O3 cyanuric acid cyanuric  
2089 C6H5NO2 Nitrobenzene c6h5no2  
2090 C6H5COOH benzoic acid benzo  
2091 CH3COC6H5 acetophenone acph  
2092 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2093 C3F6 hexafluoropropene c3f6  
2094 C6H3F3 Benzene trifluoride 123 bzf3a  
2095 C8H18O 1-Octanol octanol  
2096 C10H8 Azulene azu  
2097 C10H8 naphthalene naph  
2098 C10H10 bullvalene bullv  
2099 C10H16 adamantane adamantane  
2100 C6N4 Tetracyanoethylene tcne  
2101 C6N4- tetracyanoethylene anion tcne-  
2102 C10H22 Decane decane  
2103 C4F6 perfluorobutadiene c4f6  
2104 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2105 C3F8 perfluoropropane c3f8  
2106 Fe(CO)5 Iron pentacarbonyl ipc  
2107 Fe(C5H5)2 ferrocene fecp2  
2108 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2109 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2110 C12H8 Acenaphthylene acenaph  
2111 C12H8 biphenylene biph  
2112 C12H10 biphenyl biphenyl  
2113 C12H10 Heptalene heptalene  
2114 C6H12O6 Inositol inositol  
2115 C6F6 hexafluorobenzene c6f6  
2116 S2F10 disulphur decafluoride s2f10  
2117 C13H10 Fluorene fluorene  
2118 C14H10 Anthracene anth  
2119 C14H10 Phenanthrene phenanthrene  
2120 C14H14 Bibenzyl bibenzyl  
2121 C12H10N2 azobenzene azobenzene  
2122 C6H5COC6H5 benzophenone benzophenone  
2123 C16H10 Pyrene pyrene  
2124 C18H12 Tetracene tetracene  
2125 C19H16 Triphenylmethane tpm  
2126 C24H12 Coronene coronene  
2127 C60 Buckminsterfullerene c60