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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 B3PW91 /aug-cc-pVQZ

Jump to calculations not yet done
count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 He Helium atom 1SKh
3 Li Lithium atom 2SKh
4 Li+ Lithium atom cation 1SKh
5 Na Sodium atom 2SKh
6 Na+ Sodium atom cation 1SKh
7 LiH Lithium Hydride 1ΣC∞v
8 Be Beryllium atom 1SKh
9 Be+ Beryllium atom cation 2SKh
10 Mg Magnesium atom 1SKh
11 Mg+ Magnesium atom cation 2SKh
12 B Boron atom 2PKh
13 B Boron atom 4PKh
14 B+ Boron atom cation 1SKh
15 Al Aluminum atom 2PKh
16 Al+ Aluminum atom cation 1SKh
17 C Carbon atom 3P0Kh
18 C Carbon atom 3P1Kh
19 C+ Carbon atom cation 2PKh
20 Si Silicon atom 3PKh
21 Si Silicon atom 1SKh
22 Si+ Silicon atom cation 2PKh
23 CH4 Methane 1A1Td
24 N Nitrogen atom 4SKh
25 N Nitrogen atom 2DKh
26 N+ Nitrogen atom cation 3PKh
27 P Phosphorus atom 4SKh
28 NH3 Ammonia 1A1C3v
29 O Oxygen atom 3SKh
30 O+ Oxygen atom cation 4SKh
31 S Sulfur atom 3PKh
32 OH Hydroxyl radical 2ΠC∞v
33 H2O Water 1A1C2v
34 F Fluorine atom 2PKh
35 F+ Fluorine atom cation 3SKh
36 Cl Chlorine atom 2PKh
37 Cl+ Chlorine atom cation 3PKh
38 HF Hydrogen fluoride 1ΣC∞v
39 HCl Hydrogen chloride 1ΣC∞v
40 Ne Neon atom 1SKh
41 Ne+ Neon atom cation 2PKh
42 Ar Argon atom 1SKh
43 Na2 Sodium diatomic 1ΣgD∞h
44 C2H2 Acetylene 1ΣgD∞h
45 C2H4 Ethylene 1AgD2h
46 C2H6 Ethane 1A1gD3d
47 N2 Nitrogen diatomic 1ΣgD∞h
48 CO Carbon monoxide 1ΣC∞v
49 NO Nitric oxide 2ΠC∞v
50 O2 Oxygen diatomic 3ΣgD∞h
51 H2CO Formaldehyde 1A1C2v
52 BF Boron monofluoride 1ΣC∞v
53 F2 Fluorine diatomic 1ΣgD∞h
54 Cl2 Chlorine diatomic 1ΣgD∞h
55 CO2 Carbon dioxide 1ΣgD∞h
56 BF3 Borane, trifluoro- 1A'D3h
57 AlF3 Aluminum trifluoride 1A1'D3h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Na- Sodium atom anion 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 anion lih-  
26 LiH+ lithium hydride cation lih+  
27 NaH sodium hydride nah  
28 NaH- sodium hydride anion nah-  
29 NaH+ sodium hydride cation nah+  
30 KH Potassium hydride kh  
31 KH+ Potassium hydrogen cation kh+  
32 CuH Copper monohydride cuh  
33 Be- Beryllium atom anion be-  
34 Mg- Magnesium atom anion mg-  
35 Ca Calcium atom ca  
36 Ca- Calcium atom anion ca-  
37 Ca+ Calcium atom cation ca+  
38 Zn Zinc atom zn  
39 Zn- Zinc atom anion zn-  
40 Zn+ Zinc atom cation zn+  
41 BeH beryllium monohydride beh  
42 BeH- berylium monohydride anion beh-  
43 BeH+ beryllium monohydride cation beh+  
44 MgH magnesium monohydride mgh  
45 MgH- magnesium monohydride anion mgh-  
46 MgH+ magnesium monohydride cation mgh+  
47 CaH Calcium monohydride cah  
48 CaH+ Calcium monohydride cation cah+  
49 TiH Titanium monohydride tih  
50 ZnH Zinc monohydride znh  
51 ZnH+ Zinc, protonated znh+  
52 BeH2 beryllium dihydride beh2  
53 BeH2+ Beryllium dihydride cation beh2+  
54 MgH2 magnesium dihydride mgh2  
55 CaH2 Calcium Hydride cah2  
56 ZnH2 Zinc hydride znh2  
57 B- Boron atom anion b-  
58 Al- Aluminum atom anion al-  
59 Sc Scandium atom sc  
60 Sc+ Scandium cation sc+  
61 Ga Gallium atom ga  
62 Ga- Gallium atom anion ga-  
63 Ga+ Gallium atom cation ga+  
64 BH Boron monohydride bh  
65 BH- boron monohydride anion bh-  
66 BH+ boron monohydride cation bh+  
67 AlH aluminum monohydride alh  
68 AlH- aluminum monohydride anion alh-  
69 AlH+ aluminum monohydride cation alh+  
70 ScH Scandium monohydride sch  
71 ScH+ Scandium monohydride cation sch+  
72 GaH Gallium monohydride gah  
73 GaH+ Gallium monohydride cation gah+  
74 BH2 boron dihydride bh2  
75 BH2- boron dihydride anion bh2-  
76 BH2+ Boron dihydride cation bh2+  
77 AlH2 aluminum dihydride alh2  
78 AlH2- aluminum dihydride anion alh2-  
79 AlH2+ aluminum dihydride cation alh2+  
80 BH3 boron trihydride bh3  
81 BH3- boron trihydride anion bh3-  
82 BH3+ boron trihydride cation bh3+  
83 AlH3 aluminum trihydride alh3  
84 AlH3- aluminum trihydride anion alh3-  
85 AlH3+ aluminum trihydride cation alh3+  
86 ScH3 Scandium trihydride sch3  
87 GaH3 Gallium trihydride gah3  
88 BH4 borohydride bh4  
89 BH4- borohydride anion bh4-  
90 AlH4- Aluminum tetrahydride anion alh4-  
91 C- Carbon atom anion c-  
92 Si- Silicon atom anion si-  
93 Ti Titanium atom ti  
94 Ti- Titanium atom anion ti-  
95 Ti+ Titanium atom cation ti+  
96 Ge Germanium atom ge  
97 Ge- Germanium anion ge-  
98 Ge+ Germanium cation ge+  
99 Sn Tin atom sn  
100 Sn+ Tin cation sn+  
101 CH Methylidyne ch  
102 CH- methylidyne anion ch-  
103 CH+ Methylidyne cation ch+  
104 SiH Silylidyne sih  
105 SiH- silicon monohydride anion sih-  
106 SiH+ silicon monohydride cation sih+  
107 GeH germylidene geh  
108 GeH+ Germaniun monohyrdide cation geh+  
109 CH2 Methylene ch2  
110 CH2- methylene anion ch2-  
111 CH2+ methylene cation ch2+  
112 SiH2 silicon dihydride sih2  
113 SiH2- silicon dihydride anion sih2-  
114 SiH2+ silicon dihydride cation sih2+  
115 GeH2 germylene geh2  
116 GeH2- germylene anion geh2-  
117 CH3 Methyl radical ch3  
118 CH3- methyl anion ch3-  
119 CH3+ methyl cation ch3+  
120 SiH3 Silyl radical sih3  
121 SiH3- Silyl anion sih3-  
122 SiH3+ Silyl cation 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 anion ch4-  
129 CH4+ Methane cation ch4+  
130 CHD3 methane-d3 chd3  
131 SiH2D2 silane-d2 sih2d2  
132 SiH4 Silane sih4  
133 SiH4+ Silane cation sih4+  
134 GeH4 Germane geh4  
135 SnH4 Stannane snh4  
136 SiH5+ Silane, protonated sih5+  
137 N- Nitrogen atom anion n-  
138 P- Phosphorus atom anion p-  
139 P+ Phosphorus atom cation p+  
140 V Vanadium atom v  
141 V+ Vanadium atom cation v+  
142 As Arsenic atomic as  
143 As- Arsenic anion as-  
144 As+ Arsenic cation as+  
145 Sb Antimony atom sb  
146 NH Imidogen nh  
147 NH- Imidogen anion nh-  
148 NH+ imidogen cation nh+  
149 PH phosphorus monohydride ph  
150 PH- phosphorus monohydride anion ph-  
151 PH+ phosphorus monohydride cation ph+  
152 AsH Arsenic monohydride ash  
153 AsH+ Arsenic monohydride cation ash+  
154 SbH Antimony monohydride sbh  
155 ND2 Amidogen-d2 nd2  
156 NH2 Amino radical nh2  
157 NH2- amino anion nh2-  
158 NH2+ Amino cation nh2+  
159 PH2 Phosphino radical ph2  
160 PH2- Phosphino anion ph2-  
161 PH2+ Phosphino cation ph2+  
162 AsH2 Arsenic dihydride ash2  
163 AsH2+ Arsenic dihydride cation ash2+  
164 ND3 Ammonia-d3 nd3  
165 NH3- Ammonia anion nh3-  
166 NH3+ ammonia cation nh3+  
167 PH3 Phosphine ph3  
168 PH3+ Phosphine cation 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 S- Sulfur atom anion s-  
179 S+ Sulfur atom cation s+  
180 Cr Chromium atom cr  
181 Se Selenium atom se  
182 Se- Selenium atom anion se-  
183 Se+ Selenium atom cation se+  
184 Te Tellurium atom te  
185 Te+ Tellurium atom cation te+  
186 DO Hydroxyl-d od  
187 OH- hydroxide anion oh-  
188 OH+ hydoxyl cation oh+  
189 DS Mercapto-d ds  
190 HS Mercapto radical hs  
191 HS- mercapto anion sh-  
192 HS+ sulfur monohydride cation sh+  
193 CrH Chromium hydride crh  
194 CrH+ Chromium hydride cation crh+  
195 HSe Selenium monohydride hse  
196 HSe- selenium monohydride anion hse-  
197 HSe+ selenium monohydride cation hse+  
198 TeH Telluryl radical teh  
199 D2O Deuterium oxide d2o  
200 H2O- water anion h2o-  
201 H2O+ water cation h2o+  
202 HDO Water-d1 hdo  
203 D2S Hydrogen sulfide-d2 d2s  
204 H2S Hydrogen sulfide h2s  
205 H2S- Hydrogen sulfide anion h2s-  
206 H2S+ Hydrogen sulfide cation h2s+  
207 H2Se Hydrogen selenide h2se  
208 H2Se+ Hydrogen selenide cation 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 Cl- Chlorine atom anion cl-  
215 Mn Manganese atom mn  
216 Br Bromine atom br  
217 Br- Bromine atom anion br-  
218 Br+ Bromine atom cation br+  
219 I Iodine atom iodine  
220 I- Iodine atom anion iodine-  
221 I+ Iodine atom cation iodine+  
222 DF Hydrofluoric acid-d df  
223 HF- hydrogen fluoride anion hf-  
224 HF+ hydrogen fluoride cation hf+  
225 DCl Hydrochloric acid-d dcl  
226 HCl- hydrogen chloride anion hcl-  
227 HCl+ hydrogen chloride cation hcl+  
228 HBr hydrogen bromide hbr  
229 HBr- hydrogen bromide anion hbr-  
230 HBr+ hydrogen bromide cation hbr+  
231 HI Hydrogen iodide hi  
232 HI+ Hydrogen iodide cation hi+  
233 H2F+ dihydrogen fluoride cation h2f+  
234 H2Cl+ dihydrogen monochloride cation h2cl+  
235 H2Br+ protonated hydrogen bromide h2br+  
236 H2I+ Iodonium h2i+  
237 Ne- Neon atom anion ne-  
238 Ar- Argon atom anion ar-  
239 Ar+ Argon atom cation ar+  
240 Fe Iron atom fe  
241 Kr Krypton atom kr  
242 Kr+ Krypton cation kr+  
243 Xe Xenon atom xe  
244 HeLi+ Helium Lithium cation heli+  
245 NeH neon hydrogen neh  
246 NeH+ neon hydrogen cation neh+  
247 ArH+ Argon hydride cation arh+  
248 KrH+ Protonated Krypton krh+  
249 XeH+ Xenon, protonated xeh+  
250 H2Ar H2 Ar dimer h2ar  
251 Co Cobalt atom cobalt  
252 Ni Nickel atom ni  
253 Li2 Lithium diatomic li2  
254 Li2- lithium diatomic anion li2-  
255 Li2+ lithium diatomic cation li2+  
256 NaLi lithium sodium lina  
257 NaLi- lithium sodium anion lina-  
258 NaLi+ lithium sodium cation lina+  
259 LiK Lithium Potassium lik  
260 Na2- sodium diatomic anion na2-  
261 Na2+ sodium diatomic cation na2+  
262 NaK Sodium Potassium nak  
263 NaK+ Sodium Potassium diatomic cation nak+  
264 K2 Potassium diatomic k2  
265 Cu2 Copper diatomic cu2  
266 LiBe Lithium Beryllium libe  
267 LiMg Lithium magnesium limg  
268 NaBe Sodium Beryllium nabe  
269 NaMg Sodium Magnesium namg  
270 Be2 Beryllium diatomic be2  
271 Be2- Beryllium diatomic anion be2-  
272 Be2+ Beryllium diatomic cation be2+  
273 BeMg Beryllium Magnesium bemg  
274 Mg2 Magnesium diatomic mg2  
275 Mg2- magnesium diatomic anion mg2-  
276 Mg2+ magnesium diatomic cation mg2+  
277 Ca2 Calcium diatomic ca2  
278 LiB Lithium boride lib  
279 LiAl Lithium Aluminum lial  
280 NaAl Sodium aluminum naal  
281 BeB Beryllium monoboride beb  
282 B2 Boron diatomic b2  
283 B2- Boron diatomic anion b2-  
284 B2+ Boron diatomic cation b2+  
285 BAl Boron Aluminum bal  
286 Al2 Aluminum diatomic al2  
287 Al2- aluminum diatomic anion al2-  
288 Al2+ aluminum diatomic cation al2+  
289 BGa Boron Gallium bga  
290 AlGa Aluminum Gallium alga  
291 Ga2 Gallium diatomic ga2  
292 HBBH Diborane(2) hbbh  
293 LiBH4 Lithium borohydride libh4  
294 B2H4 Diborane(4) D2d b2h4  
295 HBHHBH Diborane(4) C2V hbhhbh  
296 B2H6 Diborane b2h6  
297 B2H6+ Diborane cation b2h6  
298 Al2H6 dialane al2h6  
299 Ga2H6 digallane ga2h6  
300 LiC Lithium Carbide lic  
301 BeC Beryllium Carbide bec  
302 CaC Calcium monocarbide cac  
303 BC boron monocarbide bc  
304 BC- boron monocarbide anion bc-  
305 BC+ boron monocarbide cation bc+  
306 AlC Aluminum carbide alc  
307 BSi Boron silicide bsi  
308 C2 Carbon diatomic c2  
309 C2- carbon diatomic anion c2-  
310 C2+ carbon diatomic cation c2+  
311 SiC silicon monocarbide sic  
312 SiC- silicon monocarbide anion sic-  
313 SiC+ silicon monocarbide cation sic+  
314 Si2 Silicon diatomic si2  
315 Si2- silcon diatomic anion si2-  
316 Si2+ silcon diatomic cation si2+  
317 GeC Germanium monocarbide gec  
318 SiGe Silicon Germanium sige  
319 Ge2 Germanium diatomic ge2  
320 C2H Ethynyl radical c2h  
321 C2H- Ethynyl anion c2h-  
322 C2H+ Ethynyl cation c2h+  
323 ZnCH2 Zinc methylene znch2  
324 C2H2+ acetylene cation c2h2+  
325 CCH2 vinylidene vinylidene  
326 H2CC- vinylidene anion h2cc-  
327 HCCH- acetylene anion c2h2-  
328 Si2H2 disilyne si2h2  
329 CH3Li methyl lithium ch3li  
330 CuCH3 monomethyl copper cuch3  
331 ZnCH3 Zinc monomethyl znch3  
332 CH2BH methyleneborane ch2bh  
333 C2H3 vinyl c2h3  
334 C2H3- vinyl anion c2h3-  
335 C2H3+ vinyl cation c2h3+  
336 C2H4- Ethylene anion c2h4-  
337 C2H4+ Ethylene cation c2h4+  
338 CH3CH methylmethylene ch3ch  
339 CH2SiH2 silaethylene ch2sih2  
340 Si2H4 Disilene si2h4  
341 CH3BH2 methylborane ch3bh2  
342 C2H5 Ethyl radical c2h5  
343 C2H5- Ethyl anion c2h5-  
344 C2H5+ Ethyl cation c2h5+  
345 C2H6+ ethane cation c2h6+  
346 CH3SiH3 methyl silane ch3sih3  
347 Si2H6 disilane si2h6  
348 GeH3CH3 methyl germane geh3ch3  
349 C2H7+ Ethane, protonated c2h7+  
350 LiN Lithium Nitride lin  
351 LiN+ Lithium Nitride cation lin+  
352 LiP Lithium monophosphide lip  
353 BeN Beryllium mononitride ben  
354 BeN- Beryllium mononitride anion ben-  
355 BeN+ Beryllium mononitride cation ben+  
356 MgN Magnesium Nitride mgn  
357 BN- boron nitride anion bn-  
358 AlN- aluminum mononitride anion aln-  
359 AlN+ aluminum mononitride cation aln+  
360 BP Boron monophosphide bp  
361 AlP Aluminum monophosphide alp  
362 GaN Gallium mononitride gan  
363 GaP Gallium monophosphide gap  
364 GaAs Gallium arsenide gaas  
365 BN boron nitride bn  
366 BN+ boron nitride cation bn+  
367 AlN Aluminum nitride aln  
368 CN Cyano radical cn  
369 CN- cyanide anion cn-  
370 CN+ Cyano cation cn+  
371 CP Carbon monophosphide cp  
372 CP- carbon monophosphide anion cp-  
373 CP+ carbon monophosphide cation cp+  
374 SiN Silicon nitride sin  
375 SiN- silicon mononitride anion sin-  
376 SiN+ silicon mononitride cation sin+  
377 SiP Silicon monophosphide sip  
378 SiP- Silicon monophosphide anion sip-  
379 SiP+ Silicon monophosphide cation sip+  
380 TiN Titanium mononitride tin  
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 LiO- lithium oxide anion lio-  
441 LiO+ lithium oxide cation lio+  
442 LiS Lithium monosulfide lis  
443 LiS+ Lithium sulfide cation lis+  
444 NaO sodium monoxide nao  
445 NaO- sodium oxide anion nao-  
446 NaO+ sodium oxide cation nao+  
447 KO Potassium monoxide ko  
448 KO+ Potassium monoxide cation ko+  
449 NaS Sodium sulfide nas  
450 CuO Copper Monoxide cuo  
451 LiSe Lithium monoselenide lise  
452 BeO beryllium oxide beo  
453 BeO- Beryllium monoxide anion beo-  
454 BeO+ Beryllium monoxide cation beo+  
455 BeS beryllium sulfide bes  
456 MgO magnesium oxide mgo  
457 MgO- magnesium oxide anion mgo-  
458 MgO+ magnesium oxide cation mgo+  
459 CaO Calcium monoxide cao  
460 MgS magnesium sulfide mgs  
461 MgS- magnesium sulfide anion mgs-  
462 MgS+ magnesium sulfide cation mgs+  
463 CaS Calcium sulfide cas  
464 ZnO zinc monoxide zno  
465 ZnS Zinc sulfide zns  
466 BeS- Beryllium monosulfide anion bes-  
467 BeS+ Beryllium monosulfide cation bes+  
468 BO boron monoxide bo  
469 BO- boron monoxide anion bo-  
470 AlO Aluminum monoxide alo  
471 AlO- Aluminum monoxide anion alo-  
472 AlO+ aluminum monoxide cation alo+  
473 BS boron sulfide bs  
474 BS- boron monosulfide anion bs-  
475 BS+ boron monosulfide cation bs+  
476 AlS Aluminum sulfide als  
477 AlS- aluminum monosulfide anion als-  
478 AlS+ aluminum monosulfide cation als+  
479 ScO Scandium monoxide sco  
480 GaO Gallium monoxide gao  
481 GaS Gallium monosulfide gas  
482 BO+ boron monoxide cation bo+  
483 CO- carbon monoxide anion co-  
484 CO+ carbon monoxide cation co+  
485 CS carbon monosulfide cs  
486 CS- carbon monosulfide anion cs-  
487 CS+ carbon monosulfide cation cs+  
488 SiO Silicon monoxide sio  
489 SiO- silicon monoxide anion sio-  
490 SiO+ silicon monoxide cation sio+  
491 SiS silicon monosulfide sis  
492 SiS- silicon monosulfide anion sis-  
493 SiS+ silicon monosulfide cation sis+  
494 TiO Titanium monoxide tio  
495 CSe Carbon monoselenide cse  
496 CSe- Carbon monoselenide anion cse-  
497 CSe+ Carbon monoselenide cation cse+  
498 GeO Germanium monoxide geo  
499 GeO+ Germanium monoxide cation geo+  
500 GeS Germanium monosulfide ges  
501 SiSe Silicon Monoselenide sise  
502 SiSe+ Silicon Monoselenide cation sise+  
503 GeSe Germanium monoselenide gese  
504 NO- nitric oxide anion no-  
505 NO+ nitric oxide cation no+  
506 NS Mononitrogen monosulfide ns  
507 NS- nitrogen sulfide anion ns-  
508 NS+ nitrogen sulfide cation ns+  
509 PO Phosphorus monoxide po  
510 PO- phosphorus monoxide anion po-  
511 PO+ phosphorus monoxide cation po+  
512 PS phosphorus sulfide ps  
513 PS- phosphorus monosulfide anion ps-  
514 PS+ phosphorus monosulfide cation ps+  
515 VO Vanadium monoxide vo  
516 AsO Arsenic monoxide aso  
517 NSe Nitrogen monoselenide nse  
518 AsS Arsenic monosulfide ass  
519 PSe Phosphorus monoselenide pse  
520 AsSe Arsenic monoselenide asse  
521 O2- oxygen diatomic anion o2-  
522 O2-- dioxygen dianion o2--  
523 O2+ diatomic oxygen cation o2+  
524 SO Sulfur monoxide so  
525 SO- sulfur monoxide anion so-  
526 SO+ sulfur monoxide cation so+  
527 S2 Sulfur diatomic s2  
528 S2- sulfur diatomic anion s2-  
529 S2+ sulfur diatomic cation s2+  
530 SeO Selenium monoxide seo  
531 SeO- selenium monoxide anion seo-  
532 SeO+ selenium monoxide cation seo+  
533 SeS Selenium monosulfide ses  
534 SeS- selenium monosulfide anion ses-  
535 SeS+ selenium monosulfide cation ses+  
536 TeO Tellurium monoxide teo  
537 Se2 Selenium diatomic se2  
538 Se2- selenium diatomic anion se2-  
539 Se2+ selenium diatomic cation se2+  
540 Te2 Tellurium diatomic te2  
541 LiOH lithium hydroxide lioh  
542 NaOH sodium hydroxide naoh  
543 KOH Potassium hydroxide koh  
544 BeOH beryllium monohydroxide beoh  
545 MgOH magnesium hydroxide mgoh  
546 CaOH Calcium monohydroxide caoh  
547 HBO Boron hydride oxide hbo  
548 HBS hydrogen boron sulfide hbs  
549 COH Hydroxymethylidyne coh  
550 COH+ Carbon Monoxide, protonated coh+  
551 HCO Formyl radical hco  
552 HCO- formyl anion hco-  
553 HCO+ Formyl cation hco+  
554 HCS Thioformyl radical hcs  
555 HCS- Thioformyl anion hcs-  
556 HCS+ Thioformyl cation hcs+  
557 HNO Nitrosyl hydride hno  
558 HNO- Nitrosyl hydride anion hno-  
559 HNO+ Nitrosyl hydride cation hno+  
560 NOH Hydroxyimidogen noh  
561 NOH+ O-protonated nitric oxide noh+  
562 HNS Sulfur imide hns  
563 HNS- Sulfur imide anion hns-  
564 HO2 Hydroperoxy radical ho2  
565 HO2- Hydroperoxy anion ho2-  
566 HO2+ Hydroperoxy cation ho2+  
567 HSO+ Sulfur Monoxide, S-protonated HSO+  
568 SOH Sulfur Hydroxide soh  
569 SOH+ Sulfur Monoxide, protonated soh+  
570 HS2 Thiosulfeno radical hs2  
571 H2CO- formaldehyde anion h2co-  
572 H2CO+ formaldehyde cation h2co+  
573 HOCH hydroxycarbene hoch  
574 H2CS Thioformaldehyde h2cs  
575 H2CS- thioformaldehyde anion h2cs-  
576 H2CS+ thioformaldehyde cation h2cs+  
577 H2CSe Selenoformaldehyde h2cse  
578 H2NO nitroxide h2no  
579 H2O2 Hydrogen peroxide h2o2  
580 H2O2+ Hydrogen peroxide cation h2o2+  
581 H2OO water oxide h2oo  
582 HOSH hydrogen thioperoxide hosh  
583 H2S2 Disulfane h2s2  
584 H2S2+ hydrogen disulfide cation h2s2+  
585 H2Se2 hydrogen diselenide h2se2  
586 CH2OH Hydroxymethyl radical ch2oh  
587 CH2OH+ hydroxymethyl cation ch2oh+  
588 CH3O Methoxy radical ch3o  
589 CH3O- methoxy anion ch3o-  
590 CH3O+ Methoxy cation ch3o+  
591 CH3S thiomethoxy ch3s  
592 H2CSH+ Thioformaldehyde, protonated h2csh+  
593 NH2OH hydroxylamine nh2oh  
594 NH2OH+ Hydroxylamine cation nh2oh+  
595 NH3O Ammonia Oxide nh3o  
596 H2POH Phosphinous acid h2poh  
597 H3PO Phosphine oxide h3po  
598 NH2SH Thiohydroxylamine nh2sh  
599 NH3S sulfidoazane nh3s  
600 H3O2+ hydrogen peroxide, protonated h3o2+  
601 CH3OH Methyl alcohol ch3oh  
602 CH3OH- Methyl alcohol anion ch3oh-  
603 CH3OH+ Methyl alcohol cation ch3oh+  
604 CH3SH Methanethiol ch3sh  
605 CH3SH+ Methanethiol cation ch3sh+  
606 SiH3OH silanol sih3oh  
607 CH3SeH Methane selenol ch3seh  
608 NH2OH2+ protonated hydroxylamine nh2oh2+  
609 NH3OH+ N-protonated hydroxylamine nh3oh+  
610 H2OH2O water dimer h2oh2o  
611 CH3OH2+ Methanol, protonated ch3oh2+  
612 CH3SH2+ protonated methylsulfide ch3sh2+  
613 H2ONH3 Water Ammonia Dimer h2onh3  
614 H5O2+ Dihydroxonium ion h5o2+  
615 LiF lithium fluoride lif  
616 LiCl lithium chloride licl  
617 LiCl- lithium chloride anion licl-  
618 LiCl+ lithium chloride cation licl+  
619 NaF sodium fluoride naf  
620 NaF- sodium fluoride anion naf-  
621 NaF+ sodium fluoride cation naf+  
622 KF Potassium Fluoride kf  
623 NaCl Sodium Chloride nacl  
624 NaCl- sodium chloride anion nacl-  
625 NaCl+ sodium chloride cation nacl+  
626 KCl Potassium Chloride kcl  
627 CuF Copper monofluoride cuf  
628 LiBr Lithium Bromide libr  
629 LiBr- lithium bromide anion libr-  
630 LiBr+ lithium bromide cation libr+  
631 CuCl Copper monochloride cucl  
632 NaBr Sodium Bromide nabr  
633 NaBr- sodium bromide anion nabr-  
634 NaBr+ sodium bromide cation nabr+  
635 KBr Potassium Bromide kbr  
636 LiI Lithium Iodide lii  
637 NaI Sodium Iodide nai  
638 KI Potassium Iodide ki  
639 LiF- lithium fluoride anion lif-  
640 LiF+ lithium fluoride cation lif+  
641 BeF Beryllium monofluoride bef  
642 BeF- Beryllium monofluoride anion bef-  
643 BeF+ Beryllium monofluoride cation bef+  
644 BeCl beryllium monochloride becl  
645 MgF Magnesium monofluoride mgf  
646 MgF- magnesium fluoride anion mgf-  
647 MgF+ magnesium fluoride cation mgf+  
648 CaF Calcium monofluoride caf  
649 MgCl magnesium monochloride mgcl  
650 MgCl- magnesium monochloride anion mgcl-  
651 MgCl+ magnesium monochloride cation mgcl+  
652 CaCl calcium monochloride cacl  
653 TiCl Titanium Monochloride ticl  
654 ZnF Zinc monofluoride znf  
655 ZnF- Zinc monofluoride anion znf-  
656 ZnF+ Zinc monofluoride cation znf+  
657 ZnCl Zinc monochloride zncl  
658 CaBr Calcium monobromide cabr  
659 BeCl- beryllium monochloride anion becl-  
660 BeCl+ beryllium monochloride cation becl+  
661 BF- Boron monofluoride anion bf-  
662 BF+ Boron monofluoride cation bf+  
663 AlF Aluminum monofluoride alf  
664 AlF- Aluminum monofluoride anion alf-  
665 AlF+ Aluminum monofluoride cation alf+  
666 BCl boron monochloride bcl  
667 BCl- boron monochloride anion bcl-  
668 BCl+ boron monochloride cation bcl+  
669 AlCl Aluminum monochloride alcl  
670 AlCl- aluminum monochloride anion alcl-  
671 AlCl+ aluminum monochloride cation alcl+  
672 ScF Scandium monofluoride scf  
673 BBr Boron monobromide bbr  
674 GaF Gallium monofluoride gaf  
675 GaF+ Gallium monofluoride cation gaf+  
676 AlBr Aluminum monobromide albr  
677 GaCl Gallium monochloride gacl  
678 GaCl+ Gallium monochloride cation gacl+  
679 AlI Aluminum monoiodide ali  
680 GaBr Gallium monobromide gabr  
681 CF Fluoromethylidyne cf  
682 CF- carbon monofluoride anion cf-  
683 CF+ carbon monofluoride cation cf+  
684 CCl carbon monochloride ccl  
685 CCl- carbon monochloride anion ccl-  
686 CCl+ carbon monochloride cation ccl+  
687 SiF silicon monofluoride sif  
688 SiF- silicon monofluoride anion sif-  
689 SiF+ silicon monofluoride cation sif+  
690 SiCl Clorosilylidyne sicl  
691 SiCl- silicon monochloride anion sicl-  
692 SiCl+ silicon monochloride cation sicl+  
693 CBr Carbon monobromide cbr  
694 GeF Germanium monofluoride gef  
695 GeF+ Germanium monofluoride cation gef+  
696 GeCl Germanium monochloride gecl  
697 GeCl+ Germanium monochloride cation gecl+  
698 SiBr Silicon monobromide sibr  
699 SiBr+ Silicon monobromide cation sibr+  
700 NF nitrogen fluoride nf  
701 NF- nitrogen monofluorine anion nf-  
702 NF+ nitrogen monofluoirde cation nf+  
703 NCl nitrogen monochloride ncl  
704 NCl- nitrogen monochloride anion ncl-  
705 NCl+ nitrogen monochloride cation ncl+  
706 PF phosphorus monofluoride pf  
707 PF- phosphorus monofluoride anion pf-  
708 PF+ phosphorus monofluoride cation pf+  
709 PCl phosphorus chloride pcl  
710 PCl- phosphorus monochloride anion pcl-  
711 PCl+ phosphorus monochloride cation pcl+  
712 AsF Arsenic monofluoride asf  
713 NBr nitrogen monobromide nbr  
714 AsCl Arsenic monochloride ascl  
715 PBr Phosphorus monobromide pbr  
716 SbF Antimony monofluoride sbf  
717 SbCl Antimony monochloride sbcl  
718 FO Oxygen monofluoride fo  
719 FO- flourine oxide anion fo-  
720 FO+ fluorine monoxide cation fo+  
721 ClO Monochlorine monoxide clo  
722 ClO- chlorine monoxide anion clo-  
723 ClO+ chlorine monoxide cation clo+  
724 SF Monosulfur monofluoride sf  
725 SF- sulfur monofluoride anion sf-  
726 SF+ sulfur monofluoride cation sf+  
727 SCl sulfur monochloride scl  
728 SCl- sulfur monochloride anion scl-  
729 SCl+ sulfur monochloride cation scl+  
730 BrO Bromine monoxide bro  
731 BrO- Bromine monoxide anion bro-  
732 BrO+ Bromine monoxide cation bro+  
733 SeF Selenium monofluoride sef  
734 SBr Sulfur monobromide radical sbr  
735 SBr+ Sulfur monobromide cation sbr+  
736 SeCl Selenium monochloride secl  
737 IO Iodine monoxide io  
738 SeBr Selenium monobromide sebr  
739 BrCl Bromine monochloride brcl  
740 F2- flourine diatomic anion f2-  
741 F2+ flourine diatomic cation f2+  
742 ClF Chlorine monofluoride clf  
743 ClF- clorine monofluoride anion clf-  
744 ClF+ clorine monofluoride cation clf+  
745 Cl2- chlorine diatomic anion cl2-  
746 Cl2+ chlorine diatomic cation cl2+  
747 BrF Bromine monofluoride brf  
748 BrF- bromine fluoride anion brf-  
749 BrF+ bromine fluoride cation brf+  
750 BrCl- bromine chloride anion brcl-  
751 BrCl+ bromine chloride cation brcl+  
752 IF Iodine monofluoride if  
753 Br2 Bromine diatomic br2  
754 Br2- bromine diatomic anion br2-  
755 Br2+ bromine diatomic cation br2+  
756 ICl Iodine monochloride icl  
757 IBr Iodine monobromide ibr  
758 I2 Iodine diatomic i2  
759 I2+ Iodine diatomic cation i2+  
760 HCF Fluoromethylene hcf  
761 HCCl Chloromethylene hccl  
762 HSiF fluorosilylene hsif  
763 HSiCl Chlorosilylene hsicl  
764 HSiBr monobromosilylene hsibr  
765 CHBr bromomethylene chbr  
766 HOF Hypofluorous acid hfo  
767 DOCl Hypochlorous acid-d docl  
768 HOCl hypochlorous acid hocl  
769 HOCl+ hypochlorous acid cation hocl+  
770 HOBr Hypobromous acid hobr  
771 HOBr+ Hypobromous acid cation hobr+  
772 HOI Hypoiodous acid hoi  
773 F2H+ Fluorine, protonated f2h+  
774 FHF Hydrogen difluoride fhf  
775 FHF- Hydrogen difluoride anion fhf-  
776 ClFH+ Chlorine fluoride, F-protonated clfh+  
777 FClH+ Chlorine fluoride, Cl-protonated fclh+  
778 Cl2H+ Chlorine, protonated cl2h+  
779 CH2Br bromomethyl radical ch2br  
780 CH2F fluoromethyl radical ch2f  
781 CH2F+ fluoromethyl cation ch2f+  
782 CH2Cl+ chloromethyl cation ch2cl+  
783 CH2Cl chloromethyl radical ch2cl  
784 NH2F monofluoroamine nh2f  
785 NH2Cl chloramine nh2cl  
786 H2F2 Hydrogen fluoride dimer h2f2  
787 CH3F+ methyl fluoride cation ch3f+  
788 CD3F methylfluoride-d3 cd3f  
789 CH3F Methyl fluoride ch3f  
790 CD3Cl methyl chloride d3 cd3cl  
791 CH3Cl Methyl chloride ch3cl  
792 CH3Cl+ Methyl chloride cation ch3cl+  
793 SiH3F monofluorosilane sih3f  
794 SiH3Cl chlorosilane sih3cl  
795 CH3Br methyl bromide ch3br  
796 GeH3F monofluorogermane geh3f  
797 GeH3Cl monochlorogermane geh3cl  
798 SiH3Br bromosilane sih3br  
799 CH3I methyl iodide ch3i  
800 SiH3I Silyl Iodide sih3i  
801 NH3Cl+ protonated monochloroammonia nh3cl+  
802 CH3ClH+ methyl chloride, protonated ch3clh+  
803 NH4Cl Ammonium chloride nh4cl  
804 LiNe+ Lithium Neon cation line+  
805 Ne2 Neon diatomic ne2  
806 Ne2+ Neon diatomic cation ne2+  
807 Ar2 Argon diatomic ar2  
808 Ar2+ Argon diatomic cation ar2+  
809 Li3 Lithium trimer li3  
810 Li3+ Lithium trimer cation li3+  
811 C3 carbon trimer c3  
812 C3+ carbon trimer cation c3+  
813 SiC2 Silicon dicarbide sic2  
814 C3H3 cyclopropenyl radical cpr  
815 C3H3 Propargyl radical propargyl  
816 C3H3- Propargyl anion c3h3-  
817 C3H3+ cyclopropenyl cation cpr+  
818 C3H3+ Propargyl cation c3h3+  
819 C3H4 cyclopropene cprop  
820 CH2CCH2 allene allene  
821 CH3CCH propyne propyne  
822 C3H5 Allyl radical allyl  
823 C3H5+ Allyl cation allyl+  
824 CH3CHCH 1-propenyl radical ch3chch  
825 Zn(CH3)2 dimethyl zinc dmz  
826 C3H6 Cyclopropane c3h6  
827 CH2CHCH3 Propene propene  
828 C3H7 n-Propyl radical npropyl  
829 C3H7+ cyclopropane, protonated c3h7+  
830 CH3CHCH3 Isopropyl radical isopropyl  
831 CH3CHCH3+ Isopropyl cation prop2yl+  
832 C3H8 Propane propane  
833 SiH2(CH3)2 dimethylsilane dms  
834 Si3H8 trisilane si3h8  
835 LiCN lithium cyanide licn  
836 NaCN Sodium Cyanide nacn  
837 KCN Potassium cyanide kcn  
838 CuCN Copper cyanide cucn  
839 ZnCN Zinc monocyanide zncn  
840 ZnNC Zinc isocyanide znnc  
841 AlCN Aluminum monocyanide alcn  
842 AlNC Aluminum isocyanide alnc  
843 CN2 3H-Diazirin-3-ylidene cn2  
844 CNN Diazocarbene cnn  
845 NCN Cyanoimidogen ncn  
846 N3 azide radical n3  
847 N3- azide anion n3-  
848 N3+ azide cation n3+  
849 HCCN cyanomethylene hccn  
850 HCNN diazomethyl radical hcnn  
851 HN3 hydrogen azide hn3  
852 HN3+ Hydrazoic acid cation hn3+  
853 HNCNH diiminomethane hncnh  
854 CH2N2 diazirine ch2n2  
855 CH2NN diazomethane ch2nn  
856 NH2CN cyanamide cyanamide  
857 HNNNH+ 1,2-Triazadienium n2h3+  
858 NH2NN+ hydrazoic acid, protonated nh2nn+  
859 CH3CN Acetonitrile ch3cn  
860 CH3CN- acetonitrile anion ch3cn-  
861 CH3CN+ Acetonitrile cation ch3cn+  
862 CH3NC methyl isocyanide ch3nc  
863 CHNCH2 2H-Azirine c157164  
864 CHNHCH 1H-Azirine chnhch  
865 H2CCNH Ethenimine ch2cnh  
866 H2CNCH methyleneaminomethylene ch2nch  
867 HCCNH2 Ethynamine hccnh2  
868 HCNCH2+ 2H-Azirine cation hcnch2+  
869 HNCNH2+ diiminomethane, protonated hncnh2+  
870 NCNH3+ Cyanamide, protonated ncnh3+  
871 NH2CNH+ cyanamide, cn protonated nh2cnh+  
872 NH3CN+ cyanamide, amine protonated nh3cn+  
873 CH2CHNH vinylazine ch2chnh  
874 CH3CHN methylmethaniminyl radical ch3chn  
875 NHCHNH2 aminomethanimine cn2h4  
876 C2H5N Aziridine c2h5n  
877 CH2CHNH2 aminoethene aminoethene  
878 CH2NCH3 N-methylmethanimine nmm  
879 CH3CHNH ethanimine ethanimine  
880 NH2BHNH2 diaminoborane nh2bhnh2  
881 C2H5NH+ Protonated Aziridine c2h5nh+  
882 C2H6N+ aziridine, protonated c2h6n+  
883 NH2CH2NH2 diaminomethane nh2ch2nh2  
884 CH3CH2NH2 Ethylamine etam  
885 CH3NHCH3 Dimethylamine ch3nhch3  
886 CH3PHCH3 dimethylphosphine ch3phch3  
887 NH2CH2NH3+ diaminoethane, protonated pdam  
888 (CH3)2NH2+ dimethylammonium cation dmam  
889 CH3CH2NH3+ ethylamine, protonated pea  
890 Li2O dilithium oxide li2o  
891 Li2O+ dilithium oxide cation li2o+  
892 Li2S dilithium sulfide li2s  
893 Na2O disodium monoxide na2o  
894 Na2S Sodium sulfide na2s  
895 LiO2 Lithium dioxide lio2  
896 NaO2 Sodium superoxide nao2  
897 CCO Dicarbon monoxide cco  
898 CNO- fulminate cno-  
899 NCO isocyanato radical nco  
900 NCO- cyanate nco-  
901 SCN thiocyanato radical scn  
902 SCN- thiocyanide anion scn-  
903 BO2 Boron dioxide bo2  
904 BO2- Boron dioxide anion bo2-  
905 BO2+ Boron dioxide cation bo2+  
906 N2O Nitrous oxide n2o  
907 N2O- Nitrous oxide anion n2o-  
908 N2O+ Nitrous oxide cation n2o+  
909 NNS Nitrogen sulfide nns  
910 PPO Phosphorus oxide phosphide ppo  
911 CO2- Carbon dioxide anion co2-  
912 CO2+ Carbon dioxide cation co2+  
913 OCS Carbonyl sulfide cos  
914 OCS+ Carbonyl sulfide cation cos+  
915 SiO2 silicon dioxide sio2  
916 CS2 Carbon disulfide cs2  
917 CS2- Carbon disulfide anion cs2-  
918 CS2+ Carbon disulfide cation cs2+  
919 TiO2 Titanium dioxide tio2  
920 SiS2 Silicon disulfide sis2  
921 GeO2 Germanium dioxide geo2  
922 OCSe Carbonyl selenide ocse  
923 SCSe Carbon sulfide selenide scse  
924 GeS2 Germanium disulfide ges2  
925 CSe2 Carbon diselenide cse2  
926 SCTe Carbon sulfide Telluride scte  
927 NO2 Nitrogen dioxide no2  
928 NO2- Nitrogen dioxide anion no2-  
929 NO2+ Nitrogen dioxide cation no2+  
930 NSO sulfinyl amidogen NSO  
931 PO2 Phosphorus dioxide po2  
932 PO2- Phosphorus dioxide anion po2-  
933 PO2+ Phosphorus dioxide cation po2+  
934 SNO Nitrogen oxide sulfide sno  
935 AsO2 Aresenic dioxide aso2  
936 O3 Ozone o3  
937 O3- Ozone anion o3-  
938 O3+ Ozone cation o3+  
939 SO2 Sulfur dioxide so2  
940 SO2- Sulfur dioxide anion so2-  
941 SO2+ Sulfur dioxide cation so2+  
942 SSO Disulfur monoxide sso  
943 S3 Sulfur trimer s3  
944 S3- Sulfur trimer anion s3-  
945 S3+ Sulfur trimer cation s3+  
946 SeO2 Selenium dioxide seo2  
947 SeO2+ Selenium dioxide cation seo2+  
948 TeO2 Tellurium Dioxide teo2  
949 HCCO ketenyl radical ketenyl  
950 CS2H+ Carbon disulfide, protonated cs2h+  
951 HCNO fulminic acid hcno  
952 HNCO Isocyanic acid hnco  
953 HOCN cyanic acid hocn  
954 HNCS Isothiocyanic acid hncs  
955 HSCN thiocyanic acid hscn  
956 HCO2- formate anion hco2-  
957 HNNO nitrosoazane hnno  
958 HNNO+ Nitrous oxide, N-protonated hnno+  
959 NNOH+ Nitrous Oxide, O-protonated nnoh+  
960 HCOO formate neutral radical hcoo  
961 HOCO Hydrocarboxyl radical hoco  
962 HOCO+ Hydrocarboxyl cation hoco+  
963 HNO2 Nitrous acid hno2  
964 HNO2+ nitrous acid cation hno2+  
965 O3H+ protonated ozone o3h+  
966 SO2H+ protonated sulfur dioxide so2h+  
967 C2H2O Oxirene oxirene  
968 CH2CO Ketene ch2co  
969 CH2CO+ Ketene cation ch2co+  
970 HCCOH ethynol hccoh  
971 CH2CS Thioketene ch2cs  
972 Be(OH)2 Beryllium hydroxide beo2h2  
973 Mg(OH)2 Magnesium dihydroxide h2mgo2  
974 NH2NO Nitrosamide nh2no  
975 CH2O2 Dioxirane diox  
976 H2COO Dioxymethyl radical h2coo  
977 H2COO+ dioxymethyl cation h2coo+  
978 HCOOH Formic acid ch2o2  
979 H2O3 Hydrogen trioxide h2o3  
980 HSSSH trisulfane hsssh  
981 NaOCH3 Sodium methoxide naoch3  
982 CH2BOH hydroxy(methylene)borane ch2boh  
983 BH3CO Borane carbonyl bh3co  
984 CH3BO Borane, methyloxo- ch3bo  
985 CH2CHO Vinyloxy radical ch2cho  
986 CH2COH+ ketene, protonated ch2coh+  
987 CH3CO Acetyl radical ch3co  
988 CH3CO- Acetyl anion ch3co-  
989 CH3CO+ acetyl cation ch3co+  
990 CH2NOH formaldoxime ch2noh  
991 CH3NO nitrosomethane ch3no  
992 CHONH2 formamide formamide  
993 CNOH3 1,2-oxaziridine cnoh3  
994 HOCHNH hydroxymethylimine hochnh  
995 CHSNH2 thioformamide chsnh2  
996 NHCHSH Methanimidothioic acid nhchsh  
997 CH2OOH CH2OOH radical ch2ooh  
998 CH3OO methylperoxy radical ch3oo  
999 CH3OO- methylperoxy anion ch3oo-  
1000 CH3OO+ methylperoxy cation ch3oo+  
1001 C2H4O Ethylene oxide c2h4o  
1002 C2H4O+ ethylene oxide cation c2h4o+  
1003 CH2CHOH ethenol ch2choh  
1004 CH3CHO Acetaldehyde ch3cho  
1005 CH3CHO+ acetaldehyde cation ch3cho+  
1006 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1007 C2H4S Thiirane thiirane  
1008 CH2CHSH Ethenethiol ch2chsh  
1009 CH3CHS Thioacetaldehyde ch3chs  
1010 H2CONH2+ protonated formamide h2conh2+  
1011 NH2CHOH+ Formamide, O-protonated nh2choh+  
1012 NH3CHO+ Formamide, N-Protonated nh3cho+  
1013 CH2(OH)2 methanediol ch2o2h2  
1014 CH3OOH Methyl peroxide ch3ooh  
1015 CH3SSH Hydrogen methyl disulfide ch3ssh  
1016 HSCH2SH Methanedithiol ch4s2  
1017 H2OH2CO water formaldehyde dimer h2oh2co  
1018 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1019 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1020 CH3CH2O Ethoxy radical ethoxy  
1021 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1022 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1023 CH3OCH2 methoxymethyl radical ch3och2  
1024 NH2CH2OH aminomethanol nh2ch2oh  
1025 CH3CH2OH Ethanol etoh  
1026 CH3OCH3 Dimethyl ether meome  
1027 CH3CH2SH ethanethiol etsh  
1028 CH3SCH3 Dimethyl sulfide mesme  
1029 CH3SCH3+ dimethyl sulfide cation mesme+  
1030 CH3SeCH3 dimethylselenide dmse  
1031 CH3OHH2O methanol water dimer ch3ohh2o  
1032 H2OCH3OH water methanol dimer h2och3oh  
1033 CuF2 Copper difluoride cuf2  
1034 ZnF2 Zinc difluoride znf2  
1035 CNF iso cyanogen fluoride cnf  
1036 FCN Cyanogen fluoride fcn  
1037 ClCN chlorocyanogen clcn  
1038 BrCN Cyanogen bromide brcn  
1039 ICN Cyanogen iodide icn  
1040 FBO Boron monofluoride monoxide fbo  
1041 BeF2 Beryllium fluoride bef2  
1042 MgF2 Magnesium fluoride mgf2  
1043 BeCl2 Beryllium chloride becl2  
1044 MgCl2 Magnesium dichloride mgcl2  
1045 CaCl2 Calcium Chloride cacl2  
1046 ZnCl2 Zinc dichloride zncl2  
1047 BeBr2 Beryllium bromide bebr2  
1048 CaBr2 Calcium dibromide cabr2  
1049 CaF2 Calcium difluoride caf2  
1050 FCO Carbonyl fluoride fco  
1051 FCO+ Carbonyl fluoride cation fco+  
1052 ClCO carbonyl monochloride clco  
1053 BF2 Boron difluoride radical bf2  
1054 FNO Nitrosyl fluoride fno  
1055 ClNO Nitrosyl chloride clno  
1056 FNS Thionitrosyl fluoride fns  
1057 FSN Thiazyl fluoride fsn  
1058 OPCl Phosphorus oxychloride opcl  
1059 BrNO Nitrosyl bromide brno  
1060 INO Nitrosyl iodide ino  
1061 CF2 Difluoromethylene cf2  
1062 CF2- Difluoromethylene anion cf2-  
1063 CF2+ Difluoromethylene cation cf2+  
1064 CFCl chlorofluoromethylene cfcl  
1065 SiF2 Silicon difluoride sif2  
1066 SiF2+ Silicon difluoride cation sif2+  
1067 CCl2 dichloromethylene ccl2  
1068 CCl2- dichloromethylene anion ccl2-  
1069 CCl2+ dichloromethylene cation ccl2+  
1070 SiCl2 Dichlorosilylene sicl2  
1071 GeF2 Germanium difluoride gef2  
1072 GeCl2 Germanium dichloride gecl2  
1073 CBr2 dibromomethylene cbr2  
1074 FOO Dioxygen monofluoride radical foo  
1075 FOO+ Fluorine dioxide cation foo+  
1076 ClOO chloroperoxy radical cloo  
1077 ClOO+ chloroperoxy cation cloo+  
1078 OClO Chlorine dioxide oclo  
1079 OClO- Chlorine dioxide anion oclo-  
1080 OClO+ Chlorine dioxide cation oclo+  
1081 ClSO Sulfur chloride oxide clso  
1082 ClS2 Sulfur chloride cls2  
1083 BrOO Bromine dioxide broo  
1084 OBrO Bromine dioxide radical obro  
1085 NF2 Difluoroamino radical nf2  
1086 NF2+ Difluoroamino cation nf2+  
1087 PF2 Phosphorus difluoride pf2  
1088 PF2+ Phosphorus difluoride cation pf2+  
1089 FClO chlorosyl fluoride fclo  
1090 F2O Difluorine monoxide f2o  
1091 ClOF Chlorine hypofluorite clof  
1092 SF2 sulfur difluoride sf2  
1093 SF2- sulfur difluoride anion sf2-  
1094 SF2+ sulfur difluoride cation sf2+  
1095 Cl2O Dichlorine monoxide cl2o  
1096 SCl2 Sulfur dichloride scl2  
1097 SeF2 Selenium difluoride sef2  
1098 BrOCl Bromine hypochlorite brocl  
1099 SeCl2 Selenium Dichloride secl2  
1100 SBr2 Sulfur dibromide sbr2  
1101 SeBr2 Selenium dibromide sebr2  
1102 BrOBr Bromine oxide brobr  
1103 F3- trifluoride anion f3-  
1104 Cl3- trichloride anion cl3-  
1105 Br3- tribromide anion br3-  
1106 I3- triiodide i3-  
1107 SFCl Sulfur chloride fluoride sfcl  
1108 HCCF Fluoroacetylene hccf  
1109 HCCF+ fluoroacetylene cation hccf+  
1110 HCCCl Chloroacetylene hcccl  
1111 HCCBr bromoacetylene hccbr  
1112 HFCO formyl fluoride hfco  
1113 HFCO+ formyl fluoride cation hfco+  
1114 COHCl Formyl chloride cohcl  
1115 COHBr Formyl bromide cohbr  
1116 BHF2 Difluoroborane bhf2  
1117 BHCl2 Borane, dichloro- bhcl2  
1118 CHCl2 dichloromethyl radical chcl2  
1119 CHF2 difluoromethyl radical chf2  
1120 CHF2+ difluoromethyl cation chf2+  
1121 CHFCl Chlorofluoromethyl radical chfcl  
1122 CHFCl+ Chlorofluoromethyl cation chfcl+  
1123 CHCl2+ dichloromethyl cation chcl2+  
1124 CHBr2 dibromomethyl radical chbr2  
1125 HOClO Chlorous acid hoclo  
1126 NHF2 difluoramine nhf2  
1127 NHCl2 dichloroamine nhcl2  
1128 CH2F2 Methane, difluoro- ch2f2  
1129 CH2FCl fluorochloromethane ch2fcl  
1130 SiH2F2 difluorosilane sih2f2  
1131 CH2Cl2 Methylene chloride ch2cl2  
1132 CH2BrF Methane, bromofluoro- ch2fbr  
1133 CH2BrCl Methane, bromochloro- ch2clbr  
1134 CH2FI fluoroiodomethane ch2fi  
1135 CH2Br2 dibromomethane ch2br2  
1136 CH2ClI chloroiodomethane ch2cli  
1137 CH2BrI bromoiodomethane ch2bri  
1138 CH2I2 Diiodomethane ch2i2  
1139 SiH2Cl2 dichlorosilane sih2cl2  
1140 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1141 CH2CHF Ethene, fluoro- ch2chf  
1142 CH2CHF+ fluoroethene cation ch2chf+  
1143 C2H3Cl Ethene, chloro- ch2chcl  
1144 C2H3Br vinyl bromide c2h3br  
1145 C2H3I Vinyl iodide c2h3i  
1146 CH2FOH fluoromethanol ch2foh  
1147 CH3OCl methyl hypochlorite ch3ocl  
1148 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1149 CHClCH3 1-chloroethyl radical chclch3  
1150 C2H5F fluoroethane c2h5f  
1151 CH3CH2Cl Ethyl chloride c2h5cl  
1152 CH3SiFH2 fluoromethylsilane ch3sifh2  
1153 C2H5Br Ethyl bromide etbr  
1154 C2H5I Ethyl iodide c2h5i  
1155 KrF2 Krypton difluoride krf2  
1156 XeF2 Xenon difluoride xef2  
1157 B4H10 Tetraborane(10) b4h10  
1158 C4 Carbon tetramer c4  
1159 C4+ Carbon tetramer cation c4+  
1160 C4H2 Diacetylene c4h2  
1161 C4H2+ diacetlyene cation c4h2+  
1162 C2H3CCH 1-Buten-3-yne c2h3cch  
1163 C4H4 cyclobutadiene cbd  
1164 C4H4 Tetrahedrane c4h4  
1165 H2CCCCH2 Butatriene h2cccch2  
1166 C4H6 1-Methylcyclopropene c3100047  
1167 C4H6 Cyclobutene c822355  
1168 C4H6 Methylenecyclopropane c6142730  
1169 CH2CCHCH3 1,2-Butadiene butad12  
1170 CH2CHCHCH2 1,3-Butadiene c106990  
1171 CH3CCCH3 2-Butyne c503173  
1172 CHCCH2CH3 1-Butyne c107006  
1173 CH3CHCHCH2 methylallyl radical c4h7  
1174 C4H8 methylcyclopropane mcp  
1175 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1176 CH2CHCH2CH3 1-Butene bute1  
1177 CH3CHCHCH3 2-Butene, (E)- bute2e  
1178 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1179 B(CH3)3 trimethylborane bme3  
1180 Al(CH3)3 trimethyl aluminum tma  
1181 C(CH3)3 Tert-butyl radical tbutyl  
1182 CH2CH(CH3)2 Isobutyl radical isobutyl  
1183 CH3CHCH2CH3 2-Butyl radical butyl2  
1184 CH3CH(CH3)CH3 Isobutane isobutane  
1185 CH3CH2CH2CH3 Butane butane  
1186 SiH(CH3)3 trimethylsilane trimsi  
1187 Li3N trilithium nitride li3n  
1188 C2N2 Cyanogen c2n2  
1189 C2N2+ Cyanogen cation c2n2+  
1190 P4 Phosphorus tetramer p4  
1191 As4 Arsenic tetramer as4  
1192 HCCCN Cyanoacetylene hcccn  
1193 HCCCN+ Cyanoacetylene cation hcccn+  
1194 H2CNCN cyanamide, methylene ch2ncn  
1195 HNCCNH Ethenediimine hnccnh  
1196 C3H3N acrylonitrile ch2chcn  
1197 C3H3N+ acrylonitrile cation ch2chcn+  
1198 CH3N3 methyl azide ch3n3  
1199 NH2CCNH2 Diaminoacetylene daa  
1200 NH2CH2CN Aminoacetonitrile aan  
1201 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1202 C2H5CN ethyl cyanide c2h5cn  
1203 CH5N3 Guanidine guanidine  
1204 C4H6 Bicyclo[1.1.0]butane c157335  
1205 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1206 H2NCHCHNH2 diaminoethylene dae  
1207 CH6N3+ guanidinium ch6n3+  
1208 C3H7N Cyclopropylamine cpram  
1209 CH7N3 triaminomethane tam  
1210 C3H7N Azetidine azet  
1211 C4H8 cyclobutane cbutane  
1212 C2H8N2 Ethylenediamine ethdiam  
1213 CH3NHNHCH3 dimethyl hydrazine dmh  
1214 CH3CH(NH2)CH3 2-Propanamine pram2  
1215 N(CH3)3 Trimethylamine trimeam  
1216 NH2CH2CH2CH3 1-Propanamine pram1  
1217 P(CH3)3 trimethylphosphine tmp  
1218 N(SiH3)3 trisilylamine tsa  
1219 As(CH3)3 trimethyl arsine tmas  
1220 (CH3)3NH+ protonated trimethyl amine ptma  
1221 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1222 Li2O2 dilithium dioxide li2o2  
1223 Na2O2 disodium dioxide na2o2  
1224 K2O2 dipotassium dioxide k2o2  
1225 C3O Tricarbon monoxide c3o  
1226 B2O2 Diboron dioxide b2o2  
1227 ONNO NO dimer onno  
1228 S2N2 Disulfur dinitride s2n2  
1229 CO3 Carbon trioxide co3  
1230 CO3-- carbonate co3--  
1231 CS3-- Carbonotrithioate cs3--  
1232 NO3 Nitrogen trioxide no3  
1233 NO3- nitrate anion no3-  
1234 NO3+ nitrogen trioxide cation no3+  
1235 SO3 Sulfur trioxide so3  
1236 SO3- Sulfur trioxide anion so3-  
1237 SO3-- Sulfate dianion so3--  
1238 SO3+ Sulfur trioxide cation so3+  
1239 SeO3 selenium trioxide seo3  
1240 S4 Sulfur tetramer s4  
1241 TeO3 Tellurium trioxide teo3  
1242 HCO3- bicarbonate anion hco3-  
1243 HNO3 Nitric acid hno3  
1244 HSO3 Hydroxysulfonyl radical hso3  
1245 NH2NO2 nitramide nh2no2  
1246 C2H2CO cyclopropenone c2h2co  
1247 C3H2O Propadienal c3h2o  
1248 HCCCHO 2-propynal hcccho  
1249 C2H2O2 Ethanedial c2h2o2  
1250 C2H2O2+ Ethanedial cation c2h2o2+  
1251 H2CO3 Carbonic acid h2co3  
1252 H2CS3 thiocarbonic acid h2cs3  
1253 H2NO3+ Nitric Acid, Protonated h2no3+  
1254 H2SO3 Sulfurous acid h2so3  
1255 C2H3NO Nitrosoethylene c2h3no  
1256 CH3NCO methylisocyante ch3nco  
1257 HOCH2CN cyanomethanol hoch2cn  
1258 CH3COO- acetate anion ch3coo-  
1259 CH3NO2 Methane, nitro- ch3no2  
1260 CH3ONO Methyl nitrite ch3ono  
1261 NH2COOH Carbamic acid nh2cooh  
1262 H3BO3 Boric acid h3bo3  
1263 H3AlO3 Aluminum hydroxide h3alo3  
1264 H3CO3+ carbonic acid, protonated h3co3+  
1265 C3H4O 2-Propyn-1-ol c107197  
1266 C3H4O allenol c9000071  
1267 C3H4O Cyclopropanone cpone  
1268 C3H4O Methylketene c6004440  
1269 CH2CHCHO Acrolein c3h4o  
1270 NH2CONH2 Urea urea  
1271 NH2CONH2+ Urea cation urea+  
1272 NH2CSNH2 Thiourea thiourea  
1273 C2H4O2 1,3-dioxetane c2h4o2  
1274 CH3COOH Acetic acid ch3cooh  
1275 CH3OCHO methyl formate ch3ocho  
1276 CHOCH2OH hydroxy acetaldehyde haa  
1277 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1278 NH3COOH+ protonated Carbamic acid nh3cooh+  
1279 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1280 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1281 HCOOHH2O Formic acid water dimer hcoohh2o  
1282 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1283 CH3COCH2 Acetonyl radical ch3coch2  
1284 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1285 CH3C(OH)=NH Ethaninidic acid eia  
1286 CH3CHNOH Acetaldoxime acetaldoxime  
1287 CH3CONH2 Acetamide acetamide  
1288 HCONHCH3 N-methylformamide nmfa  
1289 CH3CSNH2 Ethanethioamide ch3csnh2  
1290 CH5N2O+ urea, N-protonated ch4n2o+  
1291 H2NCOHNH2+ urea, protonated ureah+  
1292 C2H5OO ethylperoxy radical c2h5oo  
1293 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1294 C3H5OH Cyclopropanol cproh  
1295 C3H6O 2-Propen-1-ol c107186  
1296 C3H6O Acetone enol enol  
1297 C3H6O Oxetane oxetane  
1298 C3H6O Propylene oxide prox  
1299 CH3CH2CHO Propanal propanal  
1300 CH3COCH3 Acetone acetone  
1301 CH3COCH3- acetone anion ch3coch3-  
1302 C3H6S Thietane thietane  
1303 C3H6S Thiirane, methyl- methiirane  
1304 CH3CSCH3 Thioacetone ch3csch3  
1305 C2H6O2 1,2-Ethanediol ethdiol  
1306 CH3OOCH3 dimethylperoxide dmp  
1307 CH3SOCH3 Dimethyl sulfoxide dmso  
1308 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1309 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1310 CH3COHCH3+ acetone, protonated acetoneh+  
1311 HOCH2CH2NH2 monoethanolamine mea  
1312 C3H7OH 1-Propanol proh  
1313 CH3CHOHCH3 Isopropyl alcohol isoproh  
1314 CH3OC2H5 Ethane, methoxy- etome  
1315 C3H7SH 1-Propanethiol prsh  
1316 CH3CHSHCH3 2-Propanethiol isoprsh  
1317 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1318 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1319 Li2F2 Lithium fluoride dimer li2f2  
1320 Na2F2 Sodium Fluoride Dimer na2f2  
1321 Na2Cl2 Disodium dichloride na2cl2  
1322 C2F2 difluoroacetylene c2f2  
1323 C2Cl2 dichloroacetylene c2cl2  
1324 C2Cl2+ dichloroacetylene cation c2cl2+  
1325 FNO2 Nitryl fluoride fno2  
1326 FONO Nitrosyl hypofluorite fono  
1327 ClNO2 Nitryl chloride clno2  
1328 ClONO chlorine nitrite clono  
1329 BrONO Bromine nitrite brono  
1330 N2F2 (Z)-Difluorodiazene n2f2_z  
1331 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1332 CF2O Carbonic difluoride f2co  
1333 CF2O+ Carbonic difluoride cation f2co+  
1334 COFCl Carbonic chloride fluoride cofcl  
1335 CCl2O Phosgene cl2co  
1336 Cl2CS Thiophosgene cl2cs  
1337 COBr2 Carbonic dibromide cobr2  
1338 BF3- Borane, trifluoro- anion bf3-  
1339 BF3+ boron trifluoride cation bf3+  
1340 BClF2 Chlorodifluoroborane bclf2  
1341 AlF2Cl Aluminum chloride difluoride alclf2  
1342 ScF3 Scandium trifluoride ScF3  
1343 AlFCl2 Aluminum dichloride fluoride alcl2f  
1344 BCl3 Borane, trichloro- bcl3  
1345 BCl3+ Boron Trichloride cation bcl3+  
1346 GaF3 Gallium trifluoride gaf3  
1347 AlCl3 Aluminum trichloride alcl3  
1348 GaCl3 Gallium trichloride gacl3  
1349 BBr3 Boron tribromide bbr3  
1350 AlBr3 Aluminum Bromide albr3  
1351 ClO3 Chlorine trioxide clo3  
1352 ClO3- chlorate anion clo3-  
1353 BrO3- Bromate anion bro3-  
1354 CF3 Trifluoromethyl radical cf3  
1355 CF3- Trifluoromethyl anion cf3-  
1356 CF3+ Trifluoromethyl cation cf3+  
1357 CF2Cl difluorochloromethyl radical cf2cl  
1358 SiF3 Silicon trifluoride radical sif3  
1359 SiF3+ Silicon trifluoride cation sif3+  
1360 CFCl2 dichlorofluoromethyl radical cfcl2  
1361 CCl3 Trichloromethyl radical ccl3  
1362 CCl3- Trichloromethyl anion ccl3-  
1363 CCl3+ Trichloromethyl cation ccl3+  
1364 SiCl3 trichlorosilyl radical sicl3  
1365 SiCl3+ trichlorosilyl cation sicl3+  
1366 CBr3 tribromomethyl radical cbr3  
1367 FOOF Perfluoroperoxide foof  
1368 ClO2F Chloryl fluoride clo2f  
1369 F2SO Thionyl Fluoride f2so  
1370 ClOOCl Dichlorine dioxide cloocl  
1371 FSSF Difluorodisulfane fssf  
1372 S2F2 Thio-thionyl fluoride s2f2  
1373 SOCl2 thionyl chloride socl2  
1374 SSCl2 Thiothionyl chloride sscl2  
1375 SeOCl2 selenium oxychloride seocl2  
1376 NF3 Nitrogen trifluoride nf3  
1377 NF3- Nitrogen trifluoride anion nf3-  
1378 NF3+ Nitrogen trifluoride cation nf3+  
1379 PF3 Phosphorus trifluoride pf3  
1380 NCl3 nitrogen trichloride ncl3  
1381 AsF3 Arsenic trifluoride asf3  
1382 PCl3 Phosphorus trichloride pcl3  
1383 SbF3 Antimony Trifluoride sbf3  
1384 AsCl3 Arsenous trichloride ascl3  
1385 SbCl3 Antimony Trichloride sbcl3  
1386 NBr3 Nitrogen Tribromide nbr3  
1387 PBr3 Phosphorus tribromide pbr3  
1388 AsBr3 Arsenic tribromide asbr3  
1389 NI3 Nitrogen triiodide ni3  
1390 PI3 Phosphorus triiodide pi3  
1391 ClSSCl Disulfur dichloride s2cl2  
1392 SF3 Sulfur trifluoride sf3  
1393 ClF3 Chlorine trifluoride clf3  
1394 BrF3 Bromine trifluoride brf3  
1395 IF3 iodone trifluoride if3  
1396 HClO3 Chloric Acid hclo3  
1397 CHF3 Methane, trifluoro- chf3  
1398 CHF2Cl difluorochloromethane chf2cl  
1399 SiHF3 trifluorosilane sihf3  
1400 CHFCl2 fluorodichloromethane chfcl2  
1401 CDCl3 trichloromethane-d cdcl3  
1402 CHCl3 Chloroform chcl3  
1403 CHBrF2 Methane, bromodifluoro- chbrf2  
1404 SiHCl3 Trichlorosilane sihcl3  
1405 CHFClBr fluorochlorobromomethane chfclbr  
1406 CHBrCl2 Methane, bromodichloro- chbrcl2  
1407 CHF2I difluoroiodomethane chf2i  
1408 CHBr2F dibromofluoromethane chbr2f  
1409 CHFClI fluorochloroiodomethane chfcli  
1410 CHCl2I dichloroiodomethane chcl2i  
1411 CHClBr2 Methane, dibromochloro- chclbr2  
1412 CHBr3 bromoform chbr3  
1413 CHI3 Iodoform chi3  
1414 NF3H+ protonated nitrogen trifluoride nf3h+  
1415 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1416 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1417 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1418 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1419 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1420 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1421 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1422 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1423 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1424 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1425 C2H2Br2 1,1-dibromoethene c2h2br2  
1426 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1427 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1428 CH2FCHO Fluoroacetaldehyde ch2fcho  
1429 CH3COF Acetyl fluoride ch3cof  
1430 CH2ClCHO chloroacetaldehyde ch2clcho  
1431 CH3COCl Acetyl Chloride ch3cocl  
1432 C2H4F2 1,2-difluoroethane c2h4f2  
1433 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1434 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1435 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1436 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1437 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1438 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1439 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1440 CH2CFCH3 2-fluoropropene 2fpro  
1441 CH2CHCH2F Allyl Fluoride allylf  
1442 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1443 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1444 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1445 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1446 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1447 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1448 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1449 CH2FCH2CH3 1-Fluoropropane prf1  
1450 CH3CHFCH3 2-Fluoropropane prf2  
1451 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1452 CH3CHClCH3 Propane, 2-chloro- prcl2  
1453 CH3CH2CH2Br n-propyl bromide prbr  
1454 CH3CHBrCH3 i-propyl bromide iprbr  
1455 C3H9O+ trimethyl oxonium cation c3h9o+  
1456 B5H9 pentaborane9 b5h9  
1457 C5H4 pentatetraene ptrene  
1458 C5H5 cyclopentadienyl radical c5h5  
1459 C5H5- cylopentadienyl anion c5h5-  
1460 C5H6 1,3-Cyclopentadiene c542927  
1461 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1462 C5H6 3-Penten-1-yne, (E)- c2004695  
1463 C5H6 3-Penten-1-yne, (Z)- c1574409  
1464 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1465 C5H6 Cyclopropylacetylene c6746947  
1466 C5H6 Propellane propellane  
1467 C5H7 1,3-pentadienyl radical pdyl  
1468 C5H7 cyclopentenyl radical cpyl  
1469 C5H8 1,2-Butadiene, 3-methyl- c598254  
1470 C5H8 1,2-Pentadiene c591957  
1471 C5H8 1,3-Butadiene, 2-methyl- c78795  
1472 C5H8 1,3-Pentadiene, (E)- c2004708  
1473 C5H8 1,3-Pentadiene, (Z)- c1574410  
1474 C5H8 1,4-Pentadiene c591935  
1475 C5H8 1-pentyne a1pentyne  
1476 C5H8 2,3-Pentadiene c591968  
1477 C5H8 Bicyclo[1.1.1]pentane bcp  
1478 C5H8 Cyclobutane, methylene- c1120565  
1479 C5H8 Cyclopentene c142290  
1480 C5H8 Ethenylcyclopropane c693867  
1481 CH3CCCH2CH3 2-Pentyne 2pentyne  
1482 C5H10 1-Butene, 2-methyl- c563462  
1483 C5H10 2-Butene, 2-methyl- c513359  
1484 C5H10 2-Pentene, (E)- c646048  
1485 C5H10 2-Pentene, (Z)- c627203  
1486 C5H10 Cyclopentane c287923  
1487 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1488 CH2CHCH2CH2CH3 1-pentene pentene  
1489 C5H11 2-Methylbut-2-yl radical c4348350  
1490 C5H12 Butane, 2-methyl- buta2  
1491 C5H12 Pentane pentane  
1492 C5H12 Propane, 2,2-dimethyl- neopentane  
1493 Si(CH3)4 tetramethylsilane tms  
1494 N2O3 Dinitrogen trioxide n2o3  
1495 C3H2N2 Malononitrile c3h2n2  
1496 CH2N4 1H-Tetrazole 1htz  
1497 C3H3N2 imidazolyl radical im  
1498 C3H3N2- imidizolyl anion im-  
1499 C2H3N3 1H-1,2,4-Triazole c288880  
1500 C4H4N pyrrolide radical c4h4n  
1501 C4H4N- pyrrolide anion c4h4n-  
1502 C3H4N2 1H-Imidazole 1himidaz  
1503 C3H4N2 1H-Pyrazole 1hpyraz  
1504 C3H4N2 2H-Imidazole imid2h  
1505 C3H4N2 4H-Imidazole imid4h  
1506 C4H5N (E)-2-Butenenitrile c627269  
1507 C4H5N (Z)-2-Butenenitrile c1190767  
1508 C4H5N 2H-pyrrole pyrrole2  
1509 C4H5N 3H-pyrrole pyrrole3  
1510 C4H5N Cyclopropanecarbonitrile c5500210  
1511 C4H5N Pyrrole pyrrole  
1512 CH2CHCH2CN Allylcyanide ch2chch2cn  
1513 C4H6N+ pyrrole, alpha-protonated appyr  
1514 C4H6N+ pyrrole, beta-protonated bppyr  
1515 C4H6N+ pyrrole, protonated ppyr  
1516 C3H6N2 3-Aminopropionitrile c151188  
1517 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1518 CH3CH2CH2CN Butanenitrile c109740  
1519 C5H8 Bicyclo[2.1.0]pentane c185944  
1520 C5H8 Spiropentane c157404  
1521 C4H9N Cyclobutylamine cbam  
1522 C4H9N Pyrrolidine pyrrolidine  
1523 C3H10N2 1,2-Diaminopropane diampr12  
1524 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1525 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1526 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1527 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1528 NH(C2H5)2 diethylamine dea  
1529 NC4H12+ tetramethyl ammonium cation nc4h12+  
1530 C3O2 Carbon suboxide c3o2  
1531 C3O2+ Carbon suboxide cation c3o2+  
1532 B2O3 diboron trioxide b2o3  
1533 MgCO3 Magnesium Carbonate mgco3  
1534 BeCO3 Beryllium Carbonate beco3  
1535 CaCO3 Calcium Carbonate caco3  
1536 ONONO Nitrosyl nitrite onono  
1537 PO4--- phosphate po4---  
1538 SO4-- sulfate so4--  
1539 HOONO2 peroxy nitric acid hoono2  
1540 HSO4- bisulfate anion hso4-  
1541 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1542 C3H2O2 Propiolic acid c3h2o2  
1543 CHOCOOH oxo acetic acid oaa  
1544 CHOOCHO diformyl ether choocho  
1545 H2SO4 Sulfuric acid h2so4  
1546 H2SeO4 Selenic acid h2seo4  
1547 C3H3NO Isoxazole isox  
1548 C3H3NO Oxazole oxazole  
1549 C3H3NS Thiazole thiazole  
1550 CH3C(O)OO acetyl peroxy radical ch3coo2  
1551 CH3NO3 Methyl nitrate ch3no3  
1552 H3PO4 Phosphoric Acid h3po4  
1553 C4H4O Furan furan  
1554 C4H4O+ Furan cation furan+  
1555 CH3COCCH 3-butyn-2-one c1423605  
1556 C4H4S Thiophene furans  
1557 C4H4Se selenophene c4h4se  
1558 C3H4O2 β–Propiolactone beta  
1559 C3H4O2 2-Propenoic acid propenoic2  
1560 C3H4O2 Methyl glyoxal megly  
1561 C3H4O2 propanedial propanedial  
1562 C3H4O2 propenalol propenalol  
1563 HOCHCCHOH allenediol aldiol  
1564 C2H4O3 1,2,3-trioxolane c2h4o3  
1565 C2H4O3 trioxolane124 triox  
1566 HOCH2COOH Hydroxyacetic acid hac  
1567 CH2CHCONH2 Acrylamide c79061  
1568 CH3OCH2CN Methoxyacetonitrile c1738369  
1569 CH5N3S Hydrazinecarbothioamide c79196  
1570 H2NCH2COOH Glycine glycine  
1571 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1572 C4H6O cis-2-butenal butenal2c  
1573 C4H6O Cyclobutanone cbutone  
1574 C4H6O Furan, 2,3-dihydro- furan23h  
1575 C4H6O Furan, 2,5-dihydro- furan25h  
1576 CH2CHOCHCH2 Vinyl ether vinylether  
1577 CHOCHCHCH3 2-Butenal butenal2  
1578 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1579 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1580 CH2CHSCHCH2 Divinyl sulfide divis  
1581 C2H6N2O Urea, methyl- c598505  
1582 C3H6O2 1,3-Dioxolane dioxolane  
1583 CH3CH2COOH Propanoic Acid propanoic  
1584 CH3COOCH3 methyl acetate aame  
1585 HCOOC2H5 Ethyl formate faee  
1586 C2H6O2S Dimethyl sulfone c67710  
1587 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1588 C3H7NO dimethylformamide dmf  
1589 C3H7NO Propanamide propanam  
1590 C2H3OC2H5 Ethene, ethoxy- c109922  
1591 C4H8O Cyclobutanol c2919235  
1592 C4H8O Furan, tetrahydro- thf  
1593 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1594 CH3COCH2CH3 2-Butanone buta2one  
1595 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1596 CHOCH2CH2CH3 Butanal butanal  
1597 C4H8S Thiophene, tetrahydro- tht  
1598 C3H8O2 1,3-Propanediol c504632  
1599 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1600 C3H8O2 Methane, dimethoxy- c109875  
1601 C3H8O2 Propylene glycol c57556  
1602 C3H8S2 1,3-Propanedithiol c109808  
1603 C4H10O 1-Butanol butanol1  
1604 C4H10O 1-Propanol, 2-methyl- c78831  
1605 C4H10O 2-Butanol, (.+/-.)- butanol2  
1606 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1607 C4H10O Ethoxy ethane etoet  
1608 C4H10O Methyl propyl ether meopr  
1609 C4H10O Propane, 2-methoxy- c598538  
1610 C4H10O+ 1-Butanol cation butanol1+  
1611 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1612 C2H5SC2H5 Diethyl sulfide etset  
1613 C4H9SH 1-Butanethiol bush  
1614 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1615 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1616 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1617 FNO3 Fluorine nitrate fno3  
1618 ClONO2 Chlorine nitrate clono2  
1619 BrONO2 Bromine nitrate brono2  
1620 TiCl4 Titanium tetrachloride ticl4  
1621 ClO4- perchlorate anion clo4-  
1622 BF4- tetrafluoroboron anion bf4-  
1623 ClFO3 Perchloryl fluoride clfo3  
1624 SO2F2 Sulfuryl fluoride so2f2  
1625 SO2Cl2 Sulfuryl chloride so2cl2  
1626 F3NO Nitrogen trifluoride oxide f3no  
1627 F3PO Phosphoryl fluoride pf3o  
1628 Cl3PO Phosphoryl chloride pcl3o  
1629 CF4 Carbon tetrafluoride cf4  
1630 CF3Cl Methane, chlorotrifluoro- cf3cl  
1631 SiF4 Silicon tetrafluoride sif4  
1632 CF2Cl2 difluorodichloromethane cf2cl2  
1633 TiF4 Titanium tetrafluoride tif4  
1634 CFCl3 Trichloromonofluoromethane cfcl3  
1635 CF3Br Bromotrifluoromethane cf3br  
1636 GeF4 Germanium tetrafluoride gef4  
1637 CCl4 Carbon tetrachloride ccl4  
1638 CCl4+ Carbon tetrachloride cation ccl4+  
1639 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1640 SiCl4 Silane, tetrachloro- sicl4  
1641 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1642 CF3I trifluoroiodomethane cf3i  
1643 CBrCl3 Methane, bromotrichloro- cbrcl3  
1644 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1645 GeCl4 Germanium Tetrachloride gecl4  
1646 CBr2ClF dibromochlorofluoromethane cbr2clf  
1647 CBr2Cl2 dibromodichloromethane cbr2cl2  
1648 CCl3I trichloroiodomethane ccl3i  
1649 CFBr3 fluorotribromomethane cfbr3  
1650 CFClBrI fluorochlorobromoiodomethane cfclbri  
1651 CBr3Cl tribromochloromethane cbr3cl  
1652 CF2I2 difluorodiiodomethane cf2i2  
1653 CBr4 Carbon tetrabromide cbr4  
1654 CCl2I2 dichlorodiiodomethane ccl2i2  
1655 SiBr4 Silicon tetrabromide sibr4  
1656 CBr3I tribromoiododmethane cbr3i  
1657 GeBr4 Germanium tetrabromide gebr4  
1658 CI4 tetraiodomethane ci4  
1659 SiI4 silicon tetraiodide sii4  
1660 ClOF3 Chlorine trifluoride oxide clof3  
1661 SF4 Sulfur tetrafluoride sf4  
1662 SeF4 Selenium tetrafluoride sef4  
1663 SCl4 Sulfur tetrachloride scl4  
1664 C2HF3 Trifluoroethylene c2hf3  
1665 C2HF3+ Trifluoroethylene cation c2hf3+  
1666 CHClCCl2 Trichloroethylene chclccl2  
1667 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1668 HClO4 perchloric acid hclo4  
1669 HSO3F Fluorosulfonic acid hso3f  
1670 CF3OH trifluoromethanol cf3oh  
1671 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1672 CHClCCHCl 1,3-dichloroallene chclcchcl  
1673 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1674 CHCl2CHO dichloroacetaldehyde chcl2cho  
1675 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1676 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1677 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1678 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1679 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1680 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1681 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1682 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1683 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1684 NH3BCl3 Amminetrichloroboron nh3bcl3  
1685 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1686 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1687 C3H5ClO Oxirane, (chloromethyl)- c106898  
1688 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1689 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1690 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1691 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1692 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1693 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1694 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1695 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1696 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1697 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1698 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1699 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1700 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1701 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1702 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1703 C4H9F 1-fluorobutane butaf1  
1704 CH3CHFCH2CH3 2-fluorobutane butaf2  
1705 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1706 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1707 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1708 XeF4 Xenon tetrafluoride xef4  
1709 C2H2N2O Furazan furazan  
1710 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1711 NH3BF3 Amminetrifluoroboron nh3bf3  
1712 C6H2 hexatriyne c6h2  
1713 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1714 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1715 C6H4 Benzyne benzyne  
1716 C6H5 phenyl phenyl  
1717 C6H5- phenyl anion phenyl-  
1718 C6H6 Prismane prismane  
1719 C6H6 1,2,4,5-Hexatetraene ht1245  
1720 C6H6 2,4-Hexadiyne hexadiyne  
1721 C6H6 3,4-Dimethylenecyclobutene cb34m  
1722 C6H6 Benzene benzene  
1723 C6H6 Benzvalene bv  
1724 C6H6 Dewar Benzene dewar  
1725 C6H6 Hexa-1,5-diene-3-yne hdy153  
1726 C6H6 Trimethylenecycopropane tmcp  
1727 C6H6+ Benzene cation c6h6+  
1728 C6H7+ benzene, protonated c6h7+  
1729 C6H8 (E)-hexa-1,3,5-triene c821078  
1730 C6H8 (E)-hexa-2,3,4-triene c59660650  
1731 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1732 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1733 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1734 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1735 C6H8 3-Methylenecyclopentene c930267  
1736 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1737 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1738 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1739 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1740 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1741 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1742 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1743 C6H10 1,5-Hexadiene c592427  
1744 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1745 C6H10 1-Hexyne hexyne1  
1746 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1747 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1748 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1749 C6H10 2-Hexyne c764352  
1750 C6H10 3-Hexyne hexyne3  
1751 C6H10 cyclohexene cyclohexene  
1752 C6H10 Cyclopentene, 1-methyl- c693890  
1753 C6H10 Cyclopentene, 3-methyl- c1120623  
1754 C6H10 Cyclopentene, 4-methyl- c1759815  
1755 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1756 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1757 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1758 C6H12 (E)-2-Hexene e2hexene  
1759 C6H12 (E)-3-methylpent-2-ene c616126  
1760 C6H12 (E)-hex-3-ene e3hexene  
1761 C6H12 (Z)-3-methylpent-2-ene c922623  
1762 C6H12 (Z)-hex-2-ene z2hexene  
1763 C6H12 (Z)-hex-3-ene z3hexene  
1764 C6H12 2,3-dimethylbut-1-ene c563780  
1765 C6H12 2,3-dimethyl-but-2-ene tmeet  
1766 C6H12 3-methylenepentane c760214  
1767 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1768 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1769 C6H12 Cyclohexane cyclohexane  
1770 C6H12 Cyclopentane, methyl- c96377  
1771 C6H12 Ethylcyclobutane c4806615  
1772 C6H12 hex-1-ene hexene1  
1773 C6H14 Butane, 2,2-dimethyl- buta22  
1774 C6H14 Butane, 2,3-dimethyl- buta23  
1775 C6H14 Hexane hexane  
1776 C6H14 Pentane, 2-methyl- penta2  
1777 C6H14 Pentane, 3-methyl- penta3  
1778 C4N2 2-Butynedinitrile c4n2  
1779 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1780 C4H2N2 Fumaronitrile c4h2n2  
1781 C2H2N4 sym-tetrazine ttz  
1782 C3H3N3 1,3,5-Triazine triazine135  
1783 CH3N5 5-Aminotetrazole c4418615  
1784 C4H4N2 1,3-Diazine diazine13  
1785 C4H4N2 Pyrazine pyrazine  
1786 C4H4N2 Pyridazine pyridazine  
1787 C4H4N2 Succinonitrile c110612  
1788 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1789 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1790 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1791 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1792 C5H5N E-2,4-pentadienenitrile bdcn  
1793 C5H5N Pyridine pyridine  
1794 B3N3H6 borazine borazine  
1795 C6H6 Fulvene fulvene  
1796 C5H6N+ Pyridinium c5h6n  
1797 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1798 C5H7N (E)-2-Pentenenitrile c26294984  
1799 C5H7N (E)-3-Pentenenitrile c16529661  
1800 C5H7N (Z)-2-Pentenenitrile c25899507  
1801 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1802 C5H7N Cyclobutanecarbonitrile c4426113  
1803 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1804 C5H9N Butanenitrile, 2-methyl- c18936179  
1805 C5H9N Pentanenitrile c110598  
1806 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1807 C6H10 Bicyclo[3.1.0]hexane c285585  
1808 C5H11N Cyclopentanamine cypentam  
1809 C5H11N Piperidine piper  
1810 C4H12N2 1,2-Butanediamine c4426486  
1811 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1812 Li2CO3 Lithium Carbonate li2co3  
1813 Na2CO3 Sodium Carbonate na2co3  
1814 C2O4-- oxalate anion c2o4  
1815 MgSO4 Magnesium Sulfate mgso4  
1816 N2O4 Dinitrogen tetroxide n2o4  
1817 C3H2O3 vinylene carbonate vica  
1818 C2H2O4 Oxalic Acid oxalic  
1819 C2H3NO3 Oxamic acid oxamic  
1820 C4H4O2 2(5H)-Furanone furanone  
1821 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1822 C2H4N2O2 Oxalamide oxalamide  
1823 C2H4N2S2 Ethanedithioamide c79403  
1824 C2H4CO3 Ethylene carbonate etco3  
1825 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1826 C3H4S3 1,3-Dithiolane-2-thione c822388  
1827 C2H4O4 Formic acid dimer fadimer  
1828 C4H5NO 3-Methylisoxazole isox3m  
1829 C4H5NO Isoxazole, 5-methyl- c5765446  
1830 C4H5NS 4-Methylthiazole c693958  
1831 C2H5NO3 Nitric acid, ethyl ester c625581  
1832 C5H6O 2H-Pyran pyran2  
1833 C5H6O 2-methylfuran furan2m  
1834 C5H6O 3-Methylfuran furan3m  
1835 C5H6O Pentadienal pdal  
1836 C5H6S Thiophene, 2-methyl- c554143  
1837 C5H6S Thiophene, 3-methyl- c616444  
1838 C4H6O2 γ–Butyrolactone c96480  
1839 C4H6O2 2,3-Butanedione c431038  
1840 C4H6O2 2-Propenoic acid, methyl ester c96333  
1841 C4H6O2 Crotonic Acid crot  
1842 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1843 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1844 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1845 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1846 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1847 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1848 C4H6OS Vinyl sulfoxide c1115157  
1849 CH6N4S Carbonothioic dihydrazide thiacarb  
1850 C2H6N2O2 (E)-Azodioxymethane c37765154  
1851 C2H6N2O2 Dimethylnitroamine c4164287  
1852 C3H6O3 1,3,5-Trioxane trioxane  
1853 C3H6S3 1,3,5-Trithiane c3h6s3  
1854 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1855 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1856 C4H7NO 2-Pyrrolidinone c616455  
1857 C4H7NO Ethoxyacetonitrile etoaccn  
1858 C4H7NO Methacrylamide c79390  
1859 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1860 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1861 C3H7ONO Propyl nitrite prono  
1862 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1863 CH3CH(NH2)COOH Alanine alanine  
1864 CH3NHCH2COOH Sarcosine sarcosine  
1865 NH2CH2CH2COOH β–alanine betaalanine  
1866 NH2COOC2H5 Urethane urethane  
1867 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1868 C5H8O Cyclopentanone c120923  
1869 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1870 C5H8O Methyl cyclopropyl ketone c765435  
1871 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1872 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1873 NH2CONHC2H5 Urea, ethyl- c625525  
1874 C4H8O2 1,3-Dioxane dioxan13  
1875 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1876 C4H8O2 1,4-Dioxane dioxan14  
1877 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1878 C4H8O2 Ethyl acetate c141786  
1879 C4H8OS s-Ethyl thioacetate c625605  
1880 C3H8O3 1,2,3-Propanetriol glycerin  
1881 C3H8O2S (Methylsulfonyl)ethane c594434  
1882 C4H9NO Butanamide c541355  
1883 C4H9NO Propanamide, 2-methyl- c563837  
1884 C5H10O 2-Butanone, 3-methyl- c563804  
1885 C5H10O 2H-Pyran, tetrahydro- c142687  
1886 C5H10O 2-methylbutyraldehyde 2meba  
1887 C5H10O 2-Pentanone mpk  
1888 C5H10O 3-Pentanone dek  
1889 C5H10O Cyclopentanol c96413  
1890 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1891 C5H10O Pentanal pal  
1892 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1893 C5H10S 3-Ethylthio-1-propene c5296628  
1894 C5H10S Cyclopentanethiol c1679078  
1895 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1896 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1897 C4H10O2 1,1-Dimethoxyethane c534156  
1898 C4H10O2 1,3-Butanediol budiol13  
1899 C4H10O2 1,4-Butanediol budiol14  
1900 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1901 C4H10OS Diethyl sulfoxide c70291  
1902 C4H10S2 1,4-Butanedithiol budisl14  
1903 C4H11NO Diethylhydroxylamine c3710847  
1904 C5H12O 1-Butanol, 2-methyl- c137326  
1905 C5H12O 1-Butanol, 3-methyl- c123513  
1906 C5H12O 1-Pentanol pentanol1  
1907 C5H12O 2-Butanol, 3-methyl- c598754  
1908 C5H12O 2-Pentanol peol2  
1909 C5H12O 3-Pentanol pentan3ol  
1910 C5H12O Butane, 1-methoxy- meobu  
1911 C5H12O Propane, 1-ethoxy- proet  
1912 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1913 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1914 C5H12S 1-Butanethiol, 3-methyl- c541311  
1915 C5H12S 1-Pentanethiol c110667  
1916 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1917 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1918 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1919 C5H12S Butane, 1-(methylthio)- c628295  
1920 C5H12S Ethyl propyl sulfide c4110503  
1921 C5H12S Propane, 2-(ethylthio)- c5145993  
1922 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1923 C4F2 difluorobutadiyne c4f2  
1924 ClCOClCO Oxalyl chloride oxcl  
1925 CF3CN Acetonitrile, trifluoro- cf3cn  
1926 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1927 B2F4 Diboron tetrafluoride b2f4  
1928 B2Cl4 Diboron tetrachloride b2cl4  
1929 C2F4 Tetrafluoroethylene c2f4  
1930 C2F4+ Tetrafluoroethylene cation c2f4+  
1931 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1932 CF2CCl2 difluorodichloroethylene cf2ccl2  
1933 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1934 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1935 C2FCl3 fluorotrichloroethene c2fcl3  
1936 C2Cl4 Tetrachloroethylene c2cl4  
1937 C2Br4 tetrabromoethene c2br4  
1938 CF3OF Trifluoromethylhypofluorite cf3of  
1939 SiF5- silicon pentafluoride anion sif5-  
1940 SOF4 Sulfur tetrafluoride oxide sof4  
1941 PF5 Phosphorus pentafluoride pf5  
1942 AsF5 Arsenic pentafluoride asf5  
1943 PCl5 Phosphorus pentachloride pcl5  
1944 SF5 Sulfur pentafluoride sf5  
1945 SF5+ pentafluoro sulfur cation sf5+  
1946 SbCl5 Antimony pentachloride sbcl5  
1947 BrF5 bromine pentafluoride brf5  
1948 ClF5 chlorinepentafluoride clf5  
1949 IF5 pentafluoroiodine if5  
1950 CF3CHO trifluoroacetaldehyde cf3cho  
1951 CCl3CHO trichloroacetaldehyde ccl3cho  
1952 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1953 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1954 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1955 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1956 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1957 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1958 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1959 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1960 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1961 CF3COOH trifluoroacetic acid cf3cooh  
1962 C4H3ClO Furan, 2-chloro fur2cl  
1963 C4H3ClO Furan,3-chloro fur3cl  
1964 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1965 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1966 C4H8Cl2 1,4-Dichlorobutane c110565  
1967 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1968 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1969 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1970 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1971 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1972 C5H11Cl Pentane, 1-chloro- pencl1  
1973 C4H8O2 Butanoic acid bua  
1974 C6H5CH2 benzyl radical benzyl  
1975 C7H7 cycloheptatrienyl radical c7h7  
1976 C7H7+ cycloheptatrienyl cation c7h7+  
1977 C6H5CH3 toluene toluene  
1978 C7H8 cycloheptatriene cht  
1979 C7H8 Norbornadiene norbor  
1980 C7H8 Quadricyclane qucy  
1981 C7H12 Norbornane nor  
1982 C7H14 cycloheptane c7h14  
1983 C7H16 2-methylhexane 2mhex  
1984 C7H16 3-methylhexane hex3m  
1985 C7H16 heptane heptane  
1986 CH(CN)3 tricyanomethane mecn3  
1987 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1988 C6H7N 2-Methylpyridine mp  
1989 C6H5NH2 aniline aniline  
1990 C6H13N 2-Methylpiperidine pip2m  
1991 C6H13N cyclohexanamine cham  
1992 C6H15N triethylamine tea  
1993 N2O5 Dinitrogen pentoxide n2o5  
1994 C4H2O3 Maleic Anhydride malan  
1995 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1996 C5H4O2 furfural furfural  
1997 C6H5O phenoxy radical phenoxy  
1998 C5H5NO 2(1H)-Pyridinone c72762006  
1999 C5H5NO 2(3H)-Pyridinone c9000048  
2000 C5H5NO 2(5H)-Pyridinone c9000037  
2001 C5H5NO 2-Pyridinol c109104  
2002 C5H5NO 3(2H)-Pyridinone c9000004  
2003 C5H5NO 3(4H)-Pyridinone c9000026  
2004 C5H5NO 3(6H)-Pyridinone c9000015  
2005 C5H5NO 3-Pyridinol c109002  
2006 C5H5NO 4(1H)-Pryidinone c9000060  
2007 C5H5NO 4(3H)-Pryidinone c9000059  
2008 C5H5NO 4-Pyridinol c626642  
2009 C6H5OH phenol phenol  
2010 C6H6O 2,4-Cyclohexadienone c24599573  
2011 C6H6O 2,5-Cyclohexadienone c5664335  
2012 C6H5SH Benzenethiol phsh  
2013 HO2CCHNH2CH2OH Serine serine  
2014 C5H8O2 Acetylacetone acac  
2015 C4H8O2S Sulfolane sulfolane  
2016 C7H10 Norbornene norbornene  
2017 CH(C2H3)3 trivinyl methane tvm  
2018 C6H10O cyclohexanone chexo  
2019 C6H12O hexanal c6h12o  
2020 C6H12O Oxepane oxepane  
2021 C3H7OC3H7 di-n-propyl ether propr  
2022 F2CCCF2 tetrafluoroallene pfa  
2023 CF3COO- trifluoro acetate anion cf3coo-  
2024 CF3COF trifluoroacetyl fluoride cf3cof  
2025 CF3COCl trifluoroacetyl chloride cf3cocl  
2026 PF6 Hexafluorophosphate neutral pf6  
2027 PF6- Hexafluorophosphate ion pf6-  
2028 SF6 Sulfur Hexafluoride sf6  
2029 SeF6 Selenium hexafluoride sef6  
2030 SF5Cl sulfur chloropentafluoride sf5cl  
2031 CF3CHF2 pentafluoroethane cf3chf2  
2032 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2033 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2034 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2035 CCl3CHCl2 pentachloroethane ccl3chcl2  
2036 C6H5F Fluorobenzene bzf  
2037 C6H5Cl chlorobenzene bzcl  
2038 C6H5Br bromobenzene bzbr  
2039 C8H6 Calicene calicene  
2040 C6H5CCH phenylacetylene phac  
2041 C8H6 benzocyclobutadiene bcbd  
2042 C8H6 Pentalene pentalene  
2043 C6H5CHCH2 Styrene styrene  
2044 C8H8 cubane cubane  
2045 C8H8 cyclooctatetraene cot  
2046 C6H5CH2CH3 Ethylbenzene etbz  
2047 CH3C6H4CH3 meta-xylene mxylene  
2048 CH3C6H4CH3 paraxylene pxylene  
2049 C8H14 Bicyclo[2.2.2]octane bico222  
2050 C8H16 cyclooctane cyclooct  
2051 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2052 C8H18 Octane c8h18  
2053 C6H5CN phenyl cyanide phcn  
2054 C6H12N2 Triethylenediamine ted  
2055 C4O4-- squarate dianion c4o4--  
2056 S4N4 Tetrasulfur tetranitride s4n4  
2057 S8 Octasulfur s8  
2058 C6H4O2 parabenzoquinone pbq  
2059 C4H4N2O2 Uracil uracil  
2060 C6H5CHO benzaldehyde benzal  
2061 C6H5OCH3 Anisole anisole  
2062 C5H9NO2 Proline proline  
2063 C6H12O2 Methyl pivalate c598981  
2064 C6H12O2 Hexanoic acid hexa  
2065 C4F4 tetrafluorcyclobutadiene c4f4  
2066 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2067 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2068 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2069 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2070 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2071 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2072 C2F6 hexafluoroethane c2f6  
2073 C2Cl6 hexachloroethane c2cl6  
2074 IF7 Iodine heptafluoride if7  
2075 C6H4F2 metadifluorobenzene mdfb  
2076 C6H4F2 orthodifluorobenzene odfb  
2077 C6H4F2 1,4-difluorobenzene pdfb  
2078 C6H4Cl2 1,2-dichlorobenzene dcb12  
2079 C6H4Cl2 1,3-dichlorobenzene dcb13  
2080 C6H4Cl2 1,4-dichlorobenzene dcb14  
2081 C6H5NO nitrosobenzene bzno  
2082 C9H8 Indene indene  
2083 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2084 C9H12 n-propyl benzene prbz  
2085 C9H20 Nonane nonane  
2086 C(CN)4 tetracyanomethane c5n4  
2087 C5H4N4 purine purine  
2088 C8H7N Indole indole  
2089 C3H3N3O3 cyanuric acid cyanuric  
2090 C6H5NO2 Nitrobenzene c6h5no2  
2091 C6H5COOH benzoic acid benzo  
2092 CH3COC6H5 acetophenone acph  
2093 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2094 C3F6 hexafluoropropene c3f6  
2095 C6H3F3 Benzene trifluoride 123 bzf3a  
2096 C8H18O 1-Octanol octanol  
2097 C10H8 Azulene azu  
2098 C10H8 naphthalene naph  
2099 C10H10 bullvalene bullv  
2100 C10H16 adamantane adamantane  
2101 C6N4 Tetracyanoethylene tcne  
2102 C6N4- tetracyanoethylene anion tcne-  
2103 C10H22 Decane decane  
2104 C4F6 perfluorobutadiene c4f6  
2105 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2106 C3F8 perfluoropropane c3f8  
2107 Fe(CO)5 Iron pentacarbonyl ipc  
2108 Fe(C5H5)2 ferrocene fecp2  
2109 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2110 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2111 C12H8 Acenaphthylene acenaph  
2112 C12H8 biphenylene biph  
2113 C12H10 biphenyl biphenyl  
2114 C12H10 Heptalene heptalene  
2115 C6H12O6 Inositol inositol  
2116 C6F6 hexafluorobenzene c6f6  
2117 S2F10 disulphur decafluoride s2f10  
2118 C13H10 Fluorene fluorene  
2119 C14H10 Anthracene anth  
2120 C14H10 Phenanthrene phenanthrene  
2121 C14H14 Bibenzyl bibenzyl  
2122 C12H10N2 azobenzene azobenzene  
2123 C6H5COC6H5 benzophenone benzophenone  
2124 C16H10 Pyrene pyrene  
2125 C18H12 Tetracene tetracene  
2126 C19H16 Triphenylmethane tpm  
2127 C24H12 Coronene coronene  
2128 C60 Buckminsterfullerene c60