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 ROHF /aug-cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 Si Silicon atom 3PKh
2 SiH2 silicon dihydride 1A1C2v
3 SiH2 silicon dihydride 3B1C2v
4 SiH3 Silyl radical 2A1C3v
5 P Phosphorus atom 4SKh
6 S Sulfur atom 3PKh
7 HS Mercapto radical 2ΠC∞v
8 H2S+ Hydrogen sulfide cation 2B1C2v
9 H3S+ Sulfonium cation 1A1C3v
10 Cl Chlorine atom 2PKh
11 BAl Boron Aluminum 3ΣC∞v
12 AlC Aluminum carbide 4ΣC∞v
13 SiC silicon monocarbide 3ΣC∞v
14 LiS Lithium monosulfide 2ΠC∞v
15 LiS+ Lithium sulfide cation 3ΣC∞v
16 NaS Sodium sulfide 2ΠC∞v
17 GeO Germanium monoxide 1ΣC∞v
18 NS Mononitrogen monosulfide 2ΠC∞v
19 PO Phosphorus monoxide 2ΠC∞v
20 PS phosphorus sulfide 2ΣC∞v
21 SO Sulfur monoxide 3ΣC∞v
22 SO Sulfur monoxide 1ΣC∞v
23 S2+ sulfur diatomic cation 2ΠD∞h
24 H2S2+ hydrogen disulfide cation 2BgC2h
25 NCl nitrogen monochloride 3ΣC∞v
26 SF Monosulfur monofluoride 2ΠC∞v
27 SCl sulfur monochloride 2ΠC∞v
28 SCl+ sulfur monochloride cation 3ΣgC∞v
29 Cl2- chlorine diatomic anion 2ΣuD∞h
30 Cl2+ chlorine diatomic cation 2ΠgD∞h
31 Na2S Sodium sulfide   
32 SO2 Sulfur dioxide 1A1C2v
33 S3+ Sulfur trimer cation 2B2C2v
34 OPCl Phosphorus oxychloride   
35 OClO Chlorine dioxide 2B1D∞h
36 ClSO Sulfur chloride oxide 2A"Cs
37 FClO chlorosyl fluoride 1A'Cs
38 SiH2F2 difluorosilane   
39 SiH2Cl2 dichlorosilane 1A1C2v
40 SO3 Sulfur trioxide 1A1'D3h
41 ClO2F Chloryl fluoride 1A'Cs
42 PF6- Hexafluorophosphate ion 1A1GOh

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si- Silicon atom anion si-  
110 Si+ Silicon atom cation si+  
111 Ti Titanium atom ti  
112 Ti- Titanium atom anion ti-  
113 Ti+ Titanium atom cation ti+  
114 Ge Germanium atom ge  
115 Ge- Germanium anion ge-  
116 Ge+ Germanium cation ge+  
117 Sn Tin atom sn  
118 Sn+ Tin cation sn+  
119 CH Methylidyne ch  
120 CH- methylidyne anion ch-  
121 CH+ Methylidyne cation ch+  
122 SiH Silylidyne sih  
123 SiH- silicon monohydride anion sih-  
124 SiH+ silicon monohydride cation sih+  
125 GeH germylidene geh  
126 GeH+ Germaniun monohyrdide cation geh+  
127 CH2 Methylene ch2  
128 CH2- methylene anion ch2-  
129 CH2+ methylene cation ch2+  
130 SiH2- silicon dihydride anion sih2-  
131 SiH2+ silicon dihydride cation sih2+  
132 GeH2 germylene geh2  
133 GeH2- germylene anion geh2-  
134 CH3 Methyl radical ch3  
135 CH3- methyl anion ch3-  
136 CH3+ methyl cation ch3+  
137 SiH3- Silyl anion sih3-  
138 SiH3+ Silyl cation sih3+  
139 GeH3 Germyl radical geh3  
140 GeH3+ germyl cation geh3+  
141 CD4 methane-d4 cd4  
142 CH2D2 methane-d2 ch2d2  
143 CH3D methane-d ch3d  
144 CH4 Methane ch4  
145 CH4- Methane anion ch4-  
146 CH4+ Methane cation ch4+  
147 CHD3 methane-d3 chd3  
148 SiH2D2 silane-d2 sih2d2  
149 SiH4 Silane sih4  
150 SiH4+ Silane cation sih4+  
151 GeH4 Germane geh4  
152 SnH4 Stannane snh4  
153 SiH5+ Silane, protonated sih5+  
154 N Nitrogen atom n  
155 N- Nitrogen atom anion n-  
156 N+ Nitrogen atom cation n+  
157 P- Phosphorus atom anion p-  
158 P+ Phosphorus atom cation p+  
159 V Vanadium atom v  
160 V+ Vanadium atom cation v+  
161 As Arsenic atomic as  
162 As- Arsenic anion as-  
163 As+ Arsenic cation as+  
164 Sb Antimony atom sb  
165 NH Imidogen nh  
166 NH- Imidogen anion nh-  
167 NH+ imidogen cation nh+  
168 PH phosphorus monohydride ph  
169 PH- phosphorus monohydride anion ph-  
170 PH+ phosphorus monohydride cation ph+  
171 AsH Arsenic monohydride ash  
172 AsH+ Arsenic monohydride cation ash+  
173 SbH Antimony monohydride sbh  
174 ND2 Amidogen-d2 nd2  
175 NH2 Amino radical nh2  
176 NH2- amino anion nh2-  
177 NH2+ Amino cation nh2+  
178 PH2 Phosphino radical ph2  
179 PH2- Phosphino anion ph2-  
180 PH2+ Phosphino cation ph2+  
181 AsH2 Arsenic dihydride ash2  
182 AsH2+ Arsenic dihydride cation ash2+  
183 ND3 Ammonia-d3 nd3  
184 NH3 Ammonia nh3  
185 NH3- Ammonia anion nh3-  
186 NH3+ ammonia cation nh3+  
187 PH3 Phosphine ph3  
188 PH3+ Phosphine cation ph3+  
189 AsH3 Arsine ash3  
190 AsH3+ Arsine cation ash3+  
191 SbH3 Stibine sbh3  
192 AsH4+ Arsonium ash4+  
193 NH4 Ammonium radical nh4  
194 NH4+ ammonium cation nh4+  
195 PH4 Phosphoranyl radical ph4  
196 PH4+ phosphonium cation ph4+  
197 O Oxygen atom o  
198 O- Oxygen atom anion o-  
199 O+ Oxygen atom cation o+  
200 S- Sulfur atom anion s-  
201 S+ Sulfur atom cation s+  
202 Cr Chromium atom cr  
203 Se Selenium atom se  
204 Se- Selenium atom anion se-  
205 Se+ Selenium atom cation se+  
206 Te Tellurium atom te  
207 Te+ Tellurium atom cation te+  
208 DO Hydroxyl-d od  
209 OH Hydroxyl radical oh  
210 OH- hydroxide anion oh-  
211 OH+ hydoxyl cation oh+  
212 DS Mercapto-d ds  
213 HS- mercapto anion sh-  
214 HS+ sulfur monohydride cation sh+  
215 CrH Chromium hydride crh  
216 CrH+ Chromium hydride cation crh+  
217 HSe Selenium monohydride hse  
218 HSe- selenium monohydride anion hse-  
219 HSe+ selenium monohydride cation hse+  
220 TeH Telluryl radical teh  
221 D2O Deuterium oxide d2o  
222 H2O Water h2o  
223 H2O- water anion h2o-  
224 H2O+ water cation h2o+  
225 HDO Water-d1 hdo  
226 D2S Hydrogen sulfide-d2 d2s  
227 H2S Hydrogen sulfide h2s  
228 H2S- Hydrogen sulfide anion h2s-  
229 H2Se Hydrogen selenide h2se  
230 H2Se+ Hydrogen selenide cation h2se+  
231 H2Te Hydrogen Telluride h2te  
232 H3O+ hydronium cation h3o+  
233 H3Se+ Hydrogen Selenide, protonated h3se+  
234 F Fluorine atom f  
235 F- Fluorine atom anion f-  
236 F+ Fluorine atom cation f+  
237 Cl- Chlorine atom anion cl-  
238 Cl+ Chlorine atom cation cl+  
239 Mn Manganese atom mn  
240 Br Bromine atom br  
241 Br- Bromine atom anion br-  
242 Br+ Bromine atom cation br+  
243 I Iodine atom iodine  
244 I- Iodine atom anion iodine-  
245 I+ Iodine atom cation iodine+  
246 DF Hydrofluoric acid-d df  
247 HF Hydrogen fluoride hf  
248 HF- hydrogen fluoride anion hf-  
249 HF+ hydrogen fluoride cation hf+  
250 DCl Hydrochloric acid-d dcl  
251 HCl Hydrogen chloride hcl  
252 HCl- hydrogen chloride anion hcl-  
253 HCl+ hydrogen chloride cation hcl+  
254 HBr hydrogen bromide hbr  
255 HBr- hydrogen bromide anion hbr-  
256 HBr+ hydrogen bromide cation hbr+  
257 HI Hydrogen iodide hi  
258 HI+ Hydrogen iodide cation hi+  
259 H2F+ dihydrogen fluoride cation h2f+  
260 H2Cl+ dihydrogen monochloride cation h2cl+  
261 H2Br+ protonated hydrogen bromide h2br+  
262 H2I+ Iodonium h2i+  
263 Ne Neon atom ne  
264 Ne- Neon atom anion ne-  
265 Ne+ Neon atom cation ne+  
266 Ar Argon atom ar  
267 Ar- Argon atom anion ar-  
268 Ar+ Argon atom cation ar+  
269 Fe Iron atom fe  
270 Kr Krypton atom kr  
271 Kr+ Krypton cation kr+  
272 Xe Xenon atom xe  
273 HeLi+ Helium Lithium cation heli+  
274 NeH neon hydrogen neh  
275 NeH+ neon hydrogen cation neh+  
276 ArH+ Argon hydride cation arh+  
277 KrH+ Protonated Krypton krh+  
278 XeH+ Xenon, protonated xeh+  
279 H2Ar H2 Ar dimer h2ar  
280 Co Cobalt atom cobalt  
281 Ni Nickel atom ni  
282 Li2 Lithium diatomic li2  
283 Li2- lithium diatomic anion li2-  
284 Li2+ lithium diatomic cation li2+  
285 NaLi lithium sodium lina  
286 NaLi- lithium sodium anion lina-  
287 NaLi+ lithium sodium cation lina+  
288 LiK Lithium Potassium lik  
289 Na2 Sodium diatomic na2  
290 Na2- sodium diatomic anion na2-  
291 Na2+ sodium diatomic cation na2+  
292 NaK Sodium Potassium nak  
293 NaK+ Sodium Potassium diatomic cation nak+  
294 K2 Potassium diatomic k2  
295 Cu2 Copper diatomic cu2  
296 LiBe Lithium Beryllium libe  
297 LiMg Lithium magnesium limg  
298 NaBe Sodium Beryllium nabe  
299 NaMg Sodium Magnesium namg  
300 Be2 Beryllium diatomic be2  
301 Be2- Beryllium diatomic anion be2-  
302 Be2+ Beryllium diatomic cation be2+  
303 BeMg Beryllium Magnesium bemg  
304 Mg2 Magnesium diatomic mg2  
305 Mg2- magnesium diatomic anion mg2-  
306 Mg2+ magnesium diatomic cation mg2+  
307 Ca2 Calcium diatomic ca2  
308 LiB Lithium boride lib  
309 LiAl Lithium Aluminum lial  
310 NaAl Sodium aluminum naal  
311 BeB Beryllium monoboride beb  
312 B2 Boron diatomic b2  
313 B2- Boron diatomic anion b2-  
314 B2+ Boron diatomic cation b2+  
315 Al2 Aluminum diatomic al2  
316 Al2- aluminum diatomic anion al2-  
317 Al2+ aluminum diatomic cation al2+  
318 BGa Boron Gallium bga  
319 AlGa Aluminum Gallium alga  
320 Ga2 Gallium diatomic ga2  
321 HBBH Diborane(2) hbbh  
322 LiBH4 Lithium borohydride libh4  
323 B2H4 Diborane(4) D2d b2h4  
324 HBHHBH Diborane(4) C2V hbhhbh  
325 B2H6 Diborane b2h6  
326 B2H6+ Diborane cation b2h6  
327 Al2H6 dialane al2h6  
328 Ga2H6 digallane ga2h6  
329 LiC Lithium Carbide lic  
330 BeC Beryllium Carbide bec  
331 CaC Calcium monocarbide cac  
332 BC boron monocarbide bc  
333 BC- boron monocarbide anion bc-  
334 BC+ boron monocarbide cation bc+  
335 BSi Boron silicide bsi  
336 C2 Carbon diatomic c2  
337 C2- carbon diatomic anion c2-  
338 C2+ carbon diatomic cation c2+  
339 SiC- silicon monocarbide anion sic-  
340 SiC+ silicon monocarbide cation sic+  
341 Si2 Silicon diatomic si2  
342 Si2- silcon diatomic anion si2-  
343 Si2+ silcon diatomic cation si2+  
344 GeC Germanium monocarbide gec  
345 SiGe Silicon Germanium sige  
346 Ge2 Germanium diatomic ge2  
347 C2H Ethynyl radical c2h  
348 C2H- Ethynyl anion c2h-  
349 C2H+ Ethynyl cation c2h+  
350 ZnCH2 Zinc methylene znch2  
351 C2H2 Acetylene c2h2  
352 C2H2+ acetylene cation c2h2+  
353 CCH2 vinylidene vinylidene  
354 H2CC- vinylidene anion h2cc-  
355 HCCH- acetylene anion c2h2-  
356 Si2H2 disilyne si2h2  
357 CH3Li methyl lithium ch3li  
358 CuCH3 monomethyl copper cuch3  
359 ZnCH3 Zinc monomethyl znch3  
360 CH2BH methyleneborane ch2bh  
361 C2H3 vinyl c2h3  
362 C2H3- vinyl anion c2h3-  
363 C2H3+ vinyl cation c2h3+  
364 C2H4 Ethylene c2h4  
365 C2H4- Ethylene anion c2h4-  
366 C2H4+ Ethylene cation c2h4+  
367 CH3CH methylmethylene ch3ch  
368 CH2SiH2 silaethylene ch2sih2  
369 Si2H4 Disilene si2h4  
370 CH3BH2 methylborane ch3bh2  
371 C2H5 Ethyl radical c2h5  
372 C2H5- Ethyl anion c2h5-  
373 C2H5+ Ethyl cation c2h5+  
374 C2H6 Ethane c2h6  
375 C2H6+ ethane cation c2h6+  
376 CH3SiH3 methyl silane ch3sih3  
377 Si2H6 disilane si2h6  
378 GeH3CH3 methyl germane geh3ch3  
379 C2H7+ Ethane, protonated c2h7+  
380 LiN Lithium Nitride lin  
381 LiN+ Lithium Nitride cation lin+  
382 LiP Lithium monophosphide lip  
383 BeN Beryllium mononitride ben  
384 BeN- Beryllium mononitride anion ben-  
385 BeN+ Beryllium mononitride cation ben+  
386 MgN Magnesium Nitride mgn  
387 BN- boron nitride anion bn-  
388 AlN- aluminum mononitride anion aln-  
389 AlN+ aluminum mononitride cation aln+  
390 BP Boron monophosphide bp  
391 AlP Aluminum monophosphide alp  
392 GaN Gallium mononitride gan  
393 GaP Gallium monophosphide gap  
394 GaAs Gallium arsenide gaas  
395 BN boron nitride bn  
396 BN+ boron nitride cation bn+  
397 AlN Aluminum nitride aln  
398 CN Cyano radical cn  
399 CN- cyanide anion cn-  
400 CN+ Cyano cation cn+  
401 CP Carbon monophosphide cp  
402 CP- carbon monophosphide anion cp-  
403 CP+ carbon monophosphide cation cp+  
404 SiN Silicon nitride sin  
405 SiN- silicon mononitride anion sin-  
406 SiN+ silicon mononitride cation sin+  
407 SiP Silicon monophosphide sip  
408 SiP- Silicon monophosphide anion sip-  
409 SiP+ Silicon monophosphide cation sip+  
410 TiN Titanium mononitride tin  
411 N2 Nitrogen diatomic n2  
412 N2- nitrogen diatomic anion n2-  
413 N2+ diatomic nitrogen cation n2+  
414 PN Phosphorus mononitride pn  
415 PN- phosphorus nitride anion pn-  
416 PN+ phosphorus nitride cation pn+  
417 P2 Phosphorus diatomic p2  
418 P2- phosphorus diatomic anion p2-  
419 P2+ phosphorus diatomic cation p2+  
420 AsN Arsenic mononitride asn  
421 AsP Arsenic monophosphide asp  
422 SbN Antimony nitride sbn  
423 As2 Arsenic diatomic as2  
424 HNB hydrogen nitrogen boron hnb  
425 HNC hydrogen isocyanide hnc  
426 HCN Hydrogen cyanide hcn  
427 HCN- Hydrogen cyanide anion hcn-  
428 HCN+ hydrogen cyanide cation hcn+  
429 HNC+ hydrogen isocyanide cation hnc+  
430 HCP Phosphaethyne hcp  
431 HCP+ Phosphaethyne cation hcp+  
432 NNH Dinitrogen monohydride nnh  
433 NNH+ Dinitrogen monohydride cation nnh+  
434 HPO Hydrogen phosphorus oxide hpo  
435 HPO+ Hydrogen phosphorus oxide cation hpo+  
436 LiNH2 lithium amide linh2  
437 HBNH Boranimine hbnh  
438 CNH2 Aminomethylidyne radical cnh2  
439 CNH2+ N-protonated hydrogen isocyanide cnh2+  
440 H2CN Dihydrogen cyanide radical h2cn  
441 H2CN+ hydrocyanonium cation h2cn+  
442 HCNH methyleneazane hcnh  
443 HCNH+ N-protonated HCN hcnh+  
444 H2NN Isodiazene h2nn  
445 N2H2 (E)-diazene n2h2  
446 N2H2 (Z)-Diazene n2h2z  
447 N2H2+ trans-diazene cation n2h2+  
448 CH2NH Methanimine ch3n  
449 CH2NH+ Methanimine cation ch2nh+  
450 CHNH2 aminomethylene chnh2  
451 CHNH2+ Aminocarbene cation chnh2+  
452 CH2PH Phosphaethene ch3p  
453 BH2NH2 Boranamine bh2nh2  
454 CH2NH2+ methyleneamine cation ch2nh2+  
455 N2H4 Hydrazine n2h4  
456 N2H4+ hydrazine cation n2h4+  
457 P2H4 Diphosphine p2h4  
458 CH3NH2 methyl amine ch3nh2  
459 CH3NH2+ methyl amine cation ch3nh2+  
460 CH3PH2 Methyl phosphine ch3ph2  
461 SiH3NH2 Silane, amino sih3nh2  
462 N2H5+ protonated hydrazine n2h5+  
463 BH3PH3 borane phosphine bh3ph3  
464 BH3NH3 borane ammonia bh3nh3  
465 CH3NH3 methyl ammonium radical ch3nh3  
466 CH3NH3+ protonated methylamine ch3nh3+  
467 CH3PH3+ methyl phosphine, protonated ch3ph3+  
468 NH3NH3 Ammonia Dimer nh3nh3  
469 N2H7+ ammonia ammonium dimer n2h7+  
470 LiO lithium oxide lio  
471 LiO- lithium oxide anion lio-  
472 LiO+ lithium oxide cation lio+  
473 NaO sodium monoxide nao  
474 NaO- sodium oxide anion nao-  
475 NaO+ sodium oxide cation nao+  
476 KO Potassium monoxide ko  
477 KO+ Potassium monoxide cation ko+  
478 CuO Copper Monoxide cuo  
479 LiSe Lithium monoselenide lise  
480 BeO beryllium oxide beo  
481 BeO- Beryllium monoxide anion beo-  
482 BeO+ Beryllium monoxide cation beo+  
483 BeS beryllium sulfide bes  
484 MgO magnesium oxide mgo  
485 MgO- magnesium oxide anion mgo-  
486 MgO+ magnesium oxide cation mgo+  
487 CaO Calcium monoxide cao  
488 MgS magnesium sulfide mgs  
489 MgS- magnesium sulfide anion mgs-  
490 MgS+ magnesium sulfide cation mgs+  
491 CaS Calcium sulfide cas  
492 ZnO zinc monoxide zno  
493 ZnS Zinc sulfide zns  
494 BeS- Beryllium monosulfide anion bes-  
495 BeS+ Beryllium monosulfide cation bes+  
496 BO boron monoxide bo  
497 BO- boron monoxide anion bo-  
498 AlO Aluminum monoxide alo  
499 AlO- Aluminum monoxide anion alo-  
500 AlO+ aluminum monoxide cation alo+  
501 BS boron sulfide bs  
502 BS- boron monosulfide anion bs-  
503 BS+ boron monosulfide cation bs+  
504 AlS Aluminum sulfide als  
505 AlS- aluminum monosulfide anion als-  
506 AlS+ aluminum monosulfide cation als+  
507 ScO Scandium monoxide sco  
508 GaO Gallium monoxide gao  
509 GaS Gallium monosulfide gas  
510 BO+ boron monoxide cation bo+  
511 CO Carbon monoxide co  
512 CO- carbon monoxide anion co-  
513 CO+ carbon monoxide cation co+  
514 CS carbon monosulfide cs  
515 CS- carbon monosulfide anion cs-  
516 CS+ carbon monosulfide cation cs+  
517 SiO Silicon monoxide sio  
518 SiO- silicon monoxide anion sio-  
519 SiO+ silicon monoxide cation sio+  
520 SiS silicon monosulfide sis  
521 SiS- silicon monosulfide anion sis-  
522 SiS+ silicon monosulfide cation sis+  
523 TiO Titanium monoxide tio  
524 CSe Carbon monoselenide cse  
525 CSe- Carbon monoselenide anion cse-  
526 CSe+ Carbon monoselenide cation cse+  
527 GeO+ Germanium monoxide cation geo+  
528 GeS Germanium monosulfide ges  
529 SiSe Silicon Monoselenide sise  
530 SiSe+ Silicon Monoselenide cation sise+  
531 GeSe Germanium monoselenide gese  
532 NO Nitric oxide no  
533 NO- nitric oxide anion no-  
534 NO+ nitric oxide cation no+  
535 NS- nitrogen sulfide anion ns-  
536 NS+ nitrogen sulfide cation ns+  
537 PO- phosphorus monoxide anion po-  
538 PO+ phosphorus monoxide cation po+  
539 PS- phosphorus monosulfide anion ps-  
540 PS+ phosphorus monosulfide cation ps+  
541 VO Vanadium monoxide vo  
542 AsO Arsenic monoxide aso  
543 NSe Nitrogen monoselenide nse  
544 AsS Arsenic monosulfide ass  
545 PSe Phosphorus monoselenide pse  
546 AsSe Arsenic monoselenide asse  
547 O2 Oxygen diatomic o2  
548 O2- oxygen diatomic anion o2-  
549 O2-- dioxygen dianion o2--  
550 O2+ diatomic oxygen cation o2+  
551 SO- sulfur monoxide anion so-  
552 SO+ sulfur monoxide cation so+  
553 S2 Sulfur diatomic s2  
554 S2- sulfur diatomic anion s2-  
555 SeO Selenium monoxide seo  
556 SeO- selenium monoxide anion seo-  
557 SeO+ selenium monoxide cation seo+  
558 SeS Selenium monosulfide ses  
559 SeS- selenium monosulfide anion ses-  
560 SeS+ selenium monosulfide cation ses+  
561 TeO Tellurium monoxide teo  
562 Se2 Selenium diatomic se2  
563 Se2- selenium diatomic anion se2-  
564 Se2+ selenium diatomic cation se2+  
565 Te2 Tellurium diatomic te2  
566 LiOH lithium hydroxide lioh  
567 NaOH sodium hydroxide naoh  
568 KOH Potassium hydroxide koh  
569 BeOH beryllium monohydroxide beoh  
570 MgOH magnesium hydroxide mgoh  
571 CaOH Calcium monohydroxide caoh  
572 HBO Boron hydride oxide hbo  
573 HBS hydrogen boron sulfide hbs  
574 COH Hydroxymethylidyne coh  
575 COH+ Carbon Monoxide, protonated coh+  
576 HCO Formyl radical hco  
577 HCO- formyl anion hco-  
578 HCO+ Formyl cation hco+  
579 HCS Thioformyl radical hcs  
580 HCS- Thioformyl anion hcs-  
581 HCS+ Thioformyl cation hcs+  
582 HNO Nitrosyl hydride hno  
583 HNO- Nitrosyl hydride anion hno-  
584 HNO+ Nitrosyl hydride cation hno+  
585 NOH Hydroxyimidogen noh  
586 NOH+ O-protonated nitric oxide noh+  
587 HNS Sulfur imide hns  
588 HNS- Sulfur imide anion hns-  
589 HO2 Hydroperoxy radical ho2  
590 HO2- Hydroperoxy anion ho2-  
591 HO2+ Hydroperoxy cation ho2+  
592 HSO+ Sulfur Monoxide, S-protonated HSO+  
593 SOH Sulfur Hydroxide soh  
594 SOH+ Sulfur Monoxide, protonated soh+  
595 HS2 Thiosulfeno radical hs2  
596 H2CO Formaldehyde h2co  
597 H2CO- formaldehyde anion h2co-  
598 H2CO+ formaldehyde cation h2co+  
599 HOCH hydroxycarbene hoch  
600 H2CS Thioformaldehyde h2cs  
601 H2CS- thioformaldehyde anion h2cs-  
602 H2CS+ thioformaldehyde cation h2cs+  
603 H2CSe Selenoformaldehyde h2cse  
604 H2NO nitroxide h2no  
605 H2O2 Hydrogen peroxide h2o2  
606 H2O2+ Hydrogen peroxide cation h2o2+  
607 H2OO water oxide h2oo  
608 HOSH hydrogen thioperoxide hosh  
609 H2S2 Disulfane h2s2  
610 H2Se2 hydrogen diselenide h2se2  
611 CH2OH Hydroxymethyl radical ch2oh  
612 CH2OH+ hydroxymethyl cation ch2oh+  
613 CH3O Methoxy radical ch3o  
614 CH3O- methoxy anion ch3o-  
615 CH3O+ Methoxy cation ch3o+  
616 CH3S thiomethoxy ch3s  
617 H2CSH+ Thioformaldehyde, protonated h2csh+  
618 NH2OH hydroxylamine nh2oh  
619 NH2OH+ Hydroxylamine cation nh2oh+  
620 NH3O Ammonia Oxide nh3o  
621 H2POH Phosphinous acid h2poh  
622 H3PO Phosphine oxide h3po  
623 NH2SH Thiohydroxylamine nh2sh  
624 NH3S sulfidoazane nh3s  
625 H3O2+ hydrogen peroxide, protonated h3o2+  
626 CH3OH Methyl alcohol ch3oh  
627 CH3OH- Methyl alcohol anion ch3oh-  
628 CH3OH+ Methyl alcohol cation ch3oh+  
629 CH3SH Methanethiol ch3sh  
630 CH3SH+ Methanethiol cation ch3sh+  
631 SiH3OH silanol sih3oh  
632 CH3SeH Methane selenol ch3seh  
633 NH2OH2+ protonated hydroxylamine nh2oh2+  
634 NH3OH+ N-protonated hydroxylamine nh3oh+  
635 H2OH2O water dimer h2oh2o  
636 CH3OH2+ Methanol, protonated ch3oh2+  
637 CH3SH2+ protonated methylsulfide ch3sh2+  
638 H2ONH3 Water Ammonia Dimer h2onh3  
639 H5O2+ Dihydroxonium ion h5o2+  
640 LiF lithium fluoride lif  
641 LiCl lithium chloride licl  
642 LiCl- lithium chloride anion licl-  
643 LiCl+ lithium chloride cation licl+  
644 NaF sodium fluoride naf  
645 NaF- sodium fluoride anion naf-  
646 NaF+ sodium fluoride cation naf+  
647 KF Potassium Fluoride kf  
648 NaCl Sodium Chloride nacl  
649 NaCl- sodium chloride anion nacl-  
650 NaCl+ sodium chloride cation nacl+  
651 KCl Potassium Chloride kcl  
652 CuF Copper monofluoride cuf  
653 LiBr Lithium Bromide libr  
654 LiBr- lithium bromide anion libr-  
655 LiBr+ lithium bromide cation libr+  
656 CuCl Copper monochloride cucl  
657 NaBr Sodium Bromide nabr  
658 NaBr- sodium bromide anion nabr-  
659 NaBr+ sodium bromide cation nabr+  
660 KBr Potassium Bromide kbr  
661 LiI Lithium Iodide lii  
662 NaI Sodium Iodide nai  
663 KI Potassium Iodide ki  
664 LiF- lithium fluoride anion lif-  
665 LiF+ lithium fluoride cation lif+  
666 BeF Beryllium monofluoride bef  
667 BeF- Beryllium monofluoride anion bef-  
668 BeF+ Beryllium monofluoride cation bef+  
669 BeCl beryllium monochloride becl  
670 MgF Magnesium monofluoride mgf  
671 MgF- magnesium fluoride anion mgf-  
672 MgF+ magnesium fluoride cation mgf+  
673 CaF Calcium monofluoride caf  
674 MgCl magnesium monochloride mgcl  
675 MgCl- magnesium monochloride anion mgcl-  
676 MgCl+ magnesium monochloride cation mgcl+  
677 CaCl calcium monochloride cacl  
678 TiCl Titanium Monochloride ticl  
679 ZnF Zinc monofluoride znf  
680 ZnF- Zinc monofluoride anion znf-  
681 ZnF+ Zinc monofluoride cation znf+  
682 ZnCl Zinc monochloride zncl  
683 CaBr Calcium monobromide cabr  
684 BeCl- beryllium monochloride anion becl-  
685 BeCl+ beryllium monochloride cation becl+  
686 BF Boron monofluoride bf  
687 BF- Boron monofluoride anion bf-  
688 BF+ Boron monofluoride cation bf+  
689 AlF Aluminum monofluoride alf  
690 AlF- Aluminum monofluoride anion alf-  
691 AlF+ Aluminum monofluoride cation alf+  
692 BCl boron monochloride bcl  
693 BCl- boron monochloride anion bcl-  
694 BCl+ boron monochloride cation bcl+  
695 AlCl Aluminum monochloride alcl  
696 AlCl- aluminum monochloride anion alcl-  
697 AlCl+ aluminum monochloride cation alcl+  
698 ScF Scandium monofluoride scf  
699 BBr Boron monobromide bbr  
700 GaF Gallium monofluoride gaf  
701 GaF+ Gallium monofluoride cation gaf+  
702 AlBr Aluminum monobromide albr  
703 GaCl Gallium monochloride gacl  
704 GaCl+ Gallium monochloride cation gacl+  
705 AlI Aluminum monoiodide ali  
706 GaBr Gallium monobromide gabr  
707 CF Fluoromethylidyne cf  
708 CF- carbon monofluoride anion cf-  
709 CF+ carbon monofluoride cation cf+  
710 CCl carbon monochloride ccl  
711 CCl- carbon monochloride anion ccl-  
712 CCl+ carbon monochloride cation ccl+  
713 SiF silicon monofluoride sif  
714 SiF- silicon monofluoride anion sif-  
715 SiF+ silicon monofluoride cation sif+  
716 SiCl Clorosilylidyne sicl  
717 SiCl- silicon monochloride anion sicl-  
718 SiCl+ silicon monochloride cation sicl+  
719 CBr Carbon monobromide cbr  
720 GeF Germanium monofluoride gef  
721 GeF+ Germanium monofluoride cation gef+  
722 GeCl Germanium monochloride gecl  
723 GeCl+ Germanium monochloride cation gecl+  
724 SiBr Silicon monobromide sibr  
725 SiBr+ Silicon monobromide cation sibr+  
726 NF nitrogen fluoride nf  
727 NF- nitrogen monofluorine anion nf-  
728 NF+ nitrogen monofluoirde cation nf+  
729 NCl- nitrogen monochloride anion ncl-  
730 NCl+ nitrogen monochloride cation ncl+  
731 PF phosphorus monofluoride pf  
732 PF- phosphorus monofluoride anion pf-  
733 PF+ phosphorus monofluoride cation pf+  
734 PCl phosphorus chloride pcl  
735 PCl- phosphorus monochloride anion pcl-  
736 PCl+ phosphorus monochloride cation pcl+  
737 AsF Arsenic monofluoride asf  
738 NBr nitrogen monobromide nbr  
739 AsCl Arsenic monochloride ascl  
740 PBr Phosphorus monobromide pbr  
741 SbF Antimony monofluoride sbf  
742 SbCl Antimony monochloride sbcl  
743 FO Oxygen monofluoride fo  
744 FO- flourine oxide anion fo-  
745 FO+ fluorine monoxide cation fo+  
746 ClO Monochlorine monoxide clo  
747 ClO- chlorine monoxide anion clo-  
748 ClO+ chlorine monoxide cation clo+  
749 SF- sulfur monofluoride anion sf-  
750 SF+ sulfur monofluoride cation sf+  
751 SCl- sulfur monochloride anion scl-  
752 BrO Bromine monoxide bro  
753 BrO- Bromine monoxide anion bro-  
754 BrO+ Bromine monoxide cation bro+  
755 SeF Selenium monofluoride sef  
756 SBr Sulfur monobromide radical sbr  
757 SBr+ Sulfur monobromide cation sbr+  
758 SeCl Selenium monochloride secl  
759 IO Iodine monoxide io  
760 SeBr Selenium monobromide sebr  
761 BrCl Bromine monochloride brcl  
762 F2 Fluorine diatomic f2  
763 F2- flourine diatomic anion f2-  
764 F2+ flourine diatomic cation f2+  
765 ClF Chlorine monofluoride clf  
766 ClF- clorine monofluoride anion clf-  
767 ClF+ clorine monofluoride cation clf+  
768 Cl2 Chlorine diatomic cl2  
769 BrF Bromine monofluoride brf  
770 BrF- bromine fluoride anion brf-  
771 BrF+ bromine fluoride cation brf+  
772 BrCl- bromine chloride anion brcl-  
773 BrCl+ bromine chloride cation brcl+  
774 IF Iodine monofluoride if  
775 Br2 Bromine diatomic br2  
776 Br2- bromine diatomic anion br2-  
777 Br2+ bromine diatomic cation br2+  
778 ICl Iodine monochloride icl  
779 IBr Iodine monobromide ibr  
780 I2 Iodine diatomic i2  
781 I2+ Iodine diatomic cation i2+  
782 HCF Fluoromethylene hcf  
783 HCCl Chloromethylene hccl  
784 HSiF fluorosilylene hsif  
785 HSiCl Chlorosilylene hsicl  
786 HSiBr monobromosilylene hsibr  
787 CHBr bromomethylene chbr  
788 HOF Hypofluorous acid hfo  
789 DOCl Hypochlorous acid-d docl  
790 HOCl hypochlorous acid hocl  
791 HOCl+ hypochlorous acid cation hocl+  
792 HOBr Hypobromous acid hobr  
793 HOBr+ Hypobromous acid cation hobr+  
794 HOI Hypoiodous acid hoi  
795 F2H+ Fluorine, protonated f2h+  
796 FHF Hydrogen difluoride fhf  
797 FHF- Hydrogen difluoride anion fhf-  
798 ClFH+ Chlorine fluoride, F-protonated clfh+  
799 FClH+ Chlorine fluoride, Cl-protonated fclh+  
800 Cl2H+ Chlorine, protonated cl2h+  
801 CH2Br bromomethyl radical ch2br  
802 CH2F fluoromethyl radical ch2f  
803 CH2F+ fluoromethyl cation ch2f+  
804 CH2Cl+ chloromethyl cation ch2cl+  
805 CH2Cl chloromethyl radical ch2cl  
806 NH2F monofluoroamine nh2f  
807 NH2Cl chloramine nh2cl  
808 H2F2 Hydrogen fluoride dimer h2f2  
809 CH3F+ methyl fluoride cation ch3f+  
810 CD3F methylfluoride-d3 cd3f  
811 CH3F Methyl fluoride ch3f  
812 CD3Cl methyl chloride d3 cd3cl  
813 CH3Cl Methyl chloride ch3cl  
814 CH3Cl+ Methyl chloride cation ch3cl+  
815 SiH3F monofluorosilane sih3f  
816 SiH3Cl chlorosilane sih3cl  
817 CH3Br methyl bromide ch3br  
818 GeH3F monofluorogermane geh3f  
819 GeH3Cl monochlorogermane geh3cl  
820 SiH3Br bromosilane sih3br  
821 CH3I methyl iodide ch3i  
822 SiH3I Silyl Iodide sih3i  
823 NH3Cl+ protonated monochloroammonia nh3cl+  
824 CH3ClH+ methyl chloride, protonated ch3clh+  
825 NH4Cl Ammonium chloride nh4cl  
826 LiNe+ Lithium Neon cation line+  
827 Ne2 Neon diatomic ne2  
828 Ne2+ Neon diatomic cation ne2+  
829 Ar2 Argon diatomic ar2  
830 Ar2+ Argon diatomic cation ar2+  
831 Li3 Lithium trimer li3  
832 Li3+ Lithium trimer cation li3+  
833 C3 carbon trimer c3  
834 C3+ carbon trimer cation c3+  
835 SiC2 Silicon dicarbide sic2  
836 C3H3 cyclopropenyl radical cpr  
837 C3H3 Propargyl radical propargyl  
838 C3H3- Propargyl anion c3h3-  
839 C3H3+ cyclopropenyl cation cpr+  
840 C3H3+ Propargyl cation c3h3+  
841 C3H4 cyclopropene cprop  
842 CH2CCH2 allene allene  
843 CH3CCH propyne propyne  
844 C3H5 Allyl radical allyl  
845 C3H5+ Allyl cation allyl+  
846 CH3CHCH 1-propenyl radical ch3chch  
847 Zn(CH3)2 dimethyl zinc dmz  
848 C3H6 Cyclopropane c3h6  
849 CH2CHCH3 Propene propene  
850 C3H7 n-Propyl radical npropyl  
851 C3H7+ cyclopropane, protonated c3h7+  
852 CH3CHCH3 Isopropyl radical isopropyl  
853 CH3CHCH3+ Isopropyl cation prop2yl+  
854 C3H8 Propane propane  
855 SiH2(CH3)2 dimethylsilane dms  
856 Si3H8 trisilane si3h8  
857 LiCN lithium cyanide licn  
858 NaCN Sodium Cyanide nacn  
859 KCN Potassium cyanide kcn  
860 CuCN Copper cyanide cucn  
861 ZnCN Zinc monocyanide zncn  
862 ZnNC Zinc isocyanide znnc  
863 AlCN Aluminum monocyanide alcn  
864 AlNC Aluminum isocyanide alnc  
865 CN2 3H-Diazirin-3-ylidene cn2  
866 CNN Diazocarbene cnn  
867 NCN Cyanoimidogen ncn  
868 N3 azide radical n3  
869 N3- azide anion n3-  
870 N3+ azide cation n3+  
871 HCCN cyanomethylene hccn  
872 HCNN diazomethyl radical hcnn  
873 HN3 hydrogen azide hn3  
874 HN3+ Hydrazoic acid cation hn3+  
875 HNCNH diiminomethane hncnh  
876 CH2N2 diazirine ch2n2  
877 CH2NN diazomethane ch2nn  
878 NH2CN cyanamide cyanamide  
879 HNNNH+ 1,2-Triazadienium n2h3+  
880 NH2NN+ hydrazoic acid, protonated nh2nn+  
881 CH3CN Acetonitrile ch3cn  
882 CH3CN- acetonitrile anion ch3cn-  
883 CH3CN+ Acetonitrile cation ch3cn+  
884 CH3NC methyl isocyanide ch3nc  
885 CHNCH2 2H-Azirine c157164  
886 CHNHCH 1H-Azirine chnhch  
887 H2CCNH Ethenimine ch2cnh  
888 H2CNCH methyleneaminomethylene ch2nch  
889 HCCNH2 Ethynamine hccnh2  
890 HCNCH2+ 2H-Azirine cation hcnch2+  
891 HNCNH2+ diiminomethane, protonated hncnh2+  
892 NCNH3+ Cyanamide, protonated ncnh3+  
893 NH2CNH+ cyanamide, cn protonated nh2cnh+  
894 NH3CN+ cyanamide, amine protonated nh3cn+  
895 CH2CHNH vinylazine ch2chnh  
896 CH3CHN methylmethaniminyl radical ch3chn  
897 NHCHNH2 aminomethanimine cn2h4  
898 C2H5N Aziridine c2h5n  
899 CH2CHNH2 aminoethene aminoethene  
900 CH2NCH3 N-methylmethanimine nmm  
901 CH3CHNH ethanimine ethanimine  
902 NH2BHNH2 diaminoborane nh2bhnh2  
903 C2H5NH+ Protonated Aziridine c2h5nh+  
904 C2H6N+ aziridine, protonated c2h6n+  
905 NH2CH2NH2 diaminomethane nh2ch2nh2  
906 CH3CH2NH2 Ethylamine etam  
907 CH3NHCH3 Dimethylamine ch3nhch3  
908 CH3PHCH3 dimethylphosphine ch3phch3  
909 NH2CH2NH3+ diaminoethane, protonated pdam  
910 (CH3)2NH2+ dimethylammonium cation dmam  
911 CH3CH2NH3+ ethylamine, protonated pea  
912 Li2O dilithium oxide li2o  
913 Li2O+ dilithium oxide cation li2o+  
914 Li2S dilithium sulfide li2s  
915 Na2O disodium monoxide na2o  
916 LiO2 Lithium dioxide lio2  
917 NaO2 Sodium superoxide nao2  
918 CCO Dicarbon monoxide cco  
919 CNO- fulminate cno-  
920 NCO isocyanato radical nco  
921 NCO- cyanate nco-  
922 SCN thiocyanato radical scn  
923 SCN- thiocyanide anion scn-  
924 BO2 Boron dioxide bo2  
925 BO2- Boron dioxide anion bo2-  
926 BO2+ Boron dioxide cation bo2+  
927 N2O Nitrous oxide n2o  
928 N2O- Nitrous oxide anion n2o-  
929 N2O+ Nitrous oxide cation n2o+  
930 NNS Nitrogen sulfide nns  
931 PPO Phosphorus oxide phosphide ppo  
932 CO2 Carbon dioxide co2  
933 CO2- Carbon dioxide anion co2-  
934 CO2+ Carbon dioxide cation co2+  
935 OCS Carbonyl sulfide cos  
936 OCS+ Carbonyl sulfide cation cos+  
937 SiO2 silicon dioxide sio2  
938 CS2 Carbon disulfide cs2  
939 CS2- Carbon disulfide anion cs2-  
940 CS2+ Carbon disulfide cation cs2+  
941 TiO2 Titanium dioxide tio2  
942 SiS2 Silicon disulfide sis2  
943 GeO2 Germanium dioxide geo2  
944 OCSe Carbonyl selenide ocse  
945 SCSe Carbon sulfide selenide scse  
946 GeS2 Germanium disulfide ges2  
947 CSe2 Carbon diselenide cse2  
948 SCTe Carbon sulfide Telluride scte  
949 NO2 Nitrogen dioxide no2  
950 NO2- Nitrogen dioxide anion no2-  
951 NO2+ Nitrogen dioxide cation no2+  
952 NSO sulfinyl amidogen NSO  
953 PO2 Phosphorus dioxide po2  
954 PO2- Phosphorus dioxide anion po2-  
955 PO2+ Phosphorus dioxide cation po2+  
956 SNO Nitrogen oxide sulfide sno  
957 AsO2 Aresenic dioxide aso2  
958 O3 Ozone o3  
959 O3- Ozone anion o3-  
960 O3+ Ozone cation o3+  
961 SO2- Sulfur dioxide anion so2-  
962 SO2+ Sulfur dioxide cation so2+  
963 SSO Disulfur monoxide sso  
964 S3 Sulfur trimer s3  
965 S3- Sulfur trimer anion s3-  
966 SeO2 Selenium dioxide seo2  
967 SeO2+ Selenium dioxide cation seo2+  
968 TeO2 Tellurium Dioxide teo2  
969 HCCO ketenyl radical ketenyl  
970 CS2H+ Carbon disulfide, protonated cs2h+  
971 HCNO fulminic acid hcno  
972 HNCO Isocyanic acid hnco  
973 HOCN cyanic acid hocn  
974 HNCS Isothiocyanic acid hncs  
975 HSCN thiocyanic acid hscn  
976 HCO2- formate anion hco2-  
977 HNNO nitrosoazane hnno  
978 HNNO+ Nitrous oxide, N-protonated hnno+  
979 NNOH+ Nitrous Oxide, O-protonated nnoh+  
980 HCOO formate neutral radical hcoo  
981 HOCO Hydrocarboxyl radical hoco  
982 HOCO+ Hydrocarboxyl cation hoco+  
983 HNO2 Nitrous acid hno2  
984 HNO2+ nitrous acid cation hno2+  
985 O3H+ protonated ozone o3h+  
986 SO2H+ protonated sulfur dioxide so2h+  
987 C2H2O Oxirene oxirene  
988 CH2CO Ketene ch2co  
989 CH2CO+ Ketene cation ch2co+  
990 HCCOH ethynol hccoh  
991 CH2CS Thioketene ch2cs  
992 Be(OH)2 Beryllium hydroxide beo2h2  
993 Mg(OH)2 Magnesium dihydroxide h2mgo2  
994 NH2NO Nitrosamide nh2no  
995 CH2O2 Dioxirane diox  
996 H2COO Dioxymethyl radical h2coo  
997 H2COO+ dioxymethyl cation h2coo+  
998 HCOOH Formic acid ch2o2  
999 H2O3 Hydrogen trioxide h2o3  
1000 HSSSH trisulfane hsssh  
1001 NaOCH3 Sodium methoxide naoch3  
1002 CH2BOH hydroxy(methylene)borane ch2boh  
1003 BH3CO Borane carbonyl bh3co  
1004 CH3BO Borane, methyloxo- ch3bo  
1005 CH2CHO Vinyloxy radical ch2cho  
1006 CH2COH+ ketene, protonated ch2coh+  
1007 CH3CO Acetyl radical ch3co  
1008 CH3CO- Acetyl anion ch3co-  
1009 CH3CO+ acetyl cation ch3co+  
1010 CH2NOH formaldoxime ch2noh  
1011 CH3NO nitrosomethane ch3no  
1012 CHONH2 formamide formamide  
1013 CNOH3 1,2-oxaziridine cnoh3  
1014 HOCHNH hydroxymethylimine hochnh  
1015 CHSNH2 thioformamide chsnh2  
1016 NHCHSH Methanimidothioic acid nhchsh  
1017 CH2OOH CH2OOH radical ch2ooh  
1018 CH3OO methylperoxy radical ch3oo  
1019 CH3OO- methylperoxy anion ch3oo-  
1020 CH3OO+ methylperoxy cation ch3oo+  
1021 C2H4O Ethylene oxide c2h4o  
1022 C2H4O+ ethylene oxide cation c2h4o+  
1023 CH2CHOH ethenol ch2choh  
1024 CH3CHO Acetaldehyde ch3cho  
1025 CH3CHO+ acetaldehyde cation ch3cho+  
1026 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1027 C2H4S Thiirane thiirane  
1028 CH2CHSH Ethenethiol ch2chsh  
1029 CH3CHS Thioacetaldehyde ch3chs  
1030 H2CONH2+ protonated formamide h2conh2+  
1031 NH2CHOH+ Formamide, O-protonated nh2choh+  
1032 NH3CHO+ Formamide, N-Protonated nh3cho+  
1033 CH2(OH)2 methanediol ch2o2h2  
1034 CH3OOH Methyl peroxide ch3ooh  
1035 CH3SSH Hydrogen methyl disulfide ch3ssh  
1036 HSCH2SH Methanedithiol ch4s2  
1037 H2OH2CO water formaldehyde dimer h2oh2co  
1038 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1039 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1040 CH3CH2O Ethoxy radical ethoxy  
1041 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1042 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1043 CH3OCH2 methoxymethyl radical ch3och2  
1044 NH2CH2OH aminomethanol nh2ch2oh  
1045 CH3CH2OH Ethanol etoh  
1046 CH3OCH3 Dimethyl ether meome  
1047 CH3CH2SH ethanethiol etsh  
1048 CH3SCH3 Dimethyl sulfide mesme  
1049 CH3SCH3+ dimethyl sulfide cation mesme+  
1050 CH3SeCH3 dimethylselenide dmse  
1051 CH3OHH2O methanol water dimer ch3ohh2o  
1052 H2OCH3OH water methanol dimer h2och3oh  
1053 CuF2 Copper difluoride cuf2  
1054 ZnF2 Zinc difluoride znf2  
1055 CNF iso cyanogen fluoride cnf  
1056 FCN Cyanogen fluoride fcn  
1057 ClCN chlorocyanogen clcn  
1058 BrCN Cyanogen bromide brcn  
1059 ICN Cyanogen iodide icn  
1060 FBO Boron monofluoride monoxide fbo  
1061 BeF2 Beryllium fluoride bef2  
1062 MgF2 Magnesium fluoride mgf2  
1063 BeCl2 Beryllium chloride becl2  
1064 MgCl2 Magnesium dichloride mgcl2  
1065 CaCl2 Calcium Chloride cacl2  
1066 ZnCl2 Zinc dichloride zncl2  
1067 BeBr2 Beryllium bromide bebr2  
1068 CaBr2 Calcium dibromide cabr2  
1069 CaF2 Calcium difluoride caf2  
1070 FCO Carbonyl fluoride fco  
1071 FCO+ Carbonyl fluoride cation fco+  
1072 ClCO carbonyl monochloride clco  
1073 BF2 Boron difluoride radical bf2  
1074 FNO Nitrosyl fluoride fno  
1075 ClNO Nitrosyl chloride clno  
1076 FNS Thionitrosyl fluoride fns  
1077 FSN Thiazyl fluoride fsn  
1078 BrNO Nitrosyl bromide brno  
1079 INO Nitrosyl iodide ino  
1080 CF2 Difluoromethylene cf2  
1081 CF2- Difluoromethylene anion cf2-  
1082 CF2+ Difluoromethylene cation cf2+  
1083 CFCl chlorofluoromethylene cfcl  
1084 SiF2 Silicon difluoride sif2  
1085 SiF2+ Silicon difluoride cation sif2+  
1086 CCl2 dichloromethylene ccl2  
1087 CCl2- dichloromethylene anion ccl2-  
1088 CCl2+ dichloromethylene cation ccl2+  
1089 SiCl2 Dichlorosilylene sicl2  
1090 GeF2 Germanium difluoride gef2  
1091 GeCl2 Germanium dichloride gecl2  
1092 CBr2 dibromomethylene cbr2  
1093 FOO Dioxygen monofluoride radical foo  
1094 FOO+ Fluorine dioxide cation foo+  
1095 ClOO chloroperoxy radical cloo  
1096 ClOO+ chloroperoxy cation cloo+  
1097 OClO- Chlorine dioxide anion oclo-  
1098 OClO+ Chlorine dioxide cation oclo+  
1099 ClS2 Sulfur chloride cls2  
1100 BrOO Bromine dioxide broo  
1101 OBrO Bromine dioxide radical obro  
1102 NF2 Difluoroamino radical nf2  
1103 NF2+ Difluoroamino cation nf2+  
1104 PF2 Phosphorus difluoride pf2  
1105 PF2+ Phosphorus difluoride cation pf2+  
1106 F2O Difluorine monoxide f2o  
1107 ClOF Chlorine hypofluorite clof  
1108 SF2 sulfur difluoride sf2  
1109 SF2- sulfur difluoride anion sf2-  
1110 SF2+ sulfur difluoride cation sf2+  
1111 Cl2O Dichlorine monoxide cl2o  
1112 SCl2 Sulfur dichloride scl2  
1113 SeF2 Selenium difluoride sef2  
1114 BrOCl Bromine hypochlorite brocl  
1115 SeCl2 Selenium Dichloride secl2  
1116 SBr2 Sulfur dibromide sbr2  
1117 SeBr2 Selenium dibromide sebr2  
1118 BrOBr Bromine oxide brobr  
1119 F3- trifluoride anion f3-  
1120 Cl3- trichloride anion cl3-  
1121 Br3- tribromide anion br3-  
1122 I3- triiodide i3-  
1123 SFCl Sulfur chloride fluoride sfcl  
1124 HCCF Fluoroacetylene hccf  
1125 HCCF+ fluoroacetylene cation hccf+  
1126 HCCCl Chloroacetylene hcccl  
1127 HCCBr bromoacetylene hccbr  
1128 HFCO formyl fluoride hfco  
1129 HFCO+ formyl fluoride cation hfco+  
1130 COHCl Formyl chloride cohcl  
1131 COHBr Formyl bromide cohbr  
1132 BHF2 Difluoroborane bhf2  
1133 BHCl2 Borane, dichloro- bhcl2  
1134 CHCl2 dichloromethyl radical chcl2  
1135 CHF2 difluoromethyl radical chf2  
1136 CHF2+ difluoromethyl cation chf2+  
1137 CHFCl Chlorofluoromethyl radical chfcl  
1138 CHFCl+ Chlorofluoromethyl cation chfcl+  
1139 CHCl2+ dichloromethyl cation chcl2+  
1140 CHBr2 dibromomethyl radical chbr2  
1141 HOClO Chlorous acid hoclo  
1142 NHF2 difluoramine nhf2  
1143 NHCl2 dichloroamine nhcl2  
1144 CH2F2 Methane, difluoro- ch2f2  
1145 CH2FCl fluorochloromethane ch2fcl  
1146 CH2Cl2 Methylene chloride ch2cl2  
1147 CH2BrF Methane, bromofluoro- ch2fbr  
1148 CH2BrCl Methane, bromochloro- ch2clbr  
1149 CH2FI fluoroiodomethane ch2fi  
1150 CH2Br2 dibromomethane ch2br2  
1151 CH2ClI chloroiodomethane ch2cli  
1152 CH2BrI bromoiodomethane ch2bri  
1153 CH2I2 Diiodomethane ch2i2  
1154 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1155 CH2CHF Ethene, fluoro- ch2chf  
1156 CH2CHF+ fluoroethene cation ch2chf+  
1157 C2H3Cl Ethene, chloro- ch2chcl  
1158 C2H3Br vinyl bromide c2h3br  
1159 C2H3I Vinyl iodide c2h3i  
1160 CH2FOH fluoromethanol ch2foh  
1161 CH3OCl methyl hypochlorite ch3ocl  
1162 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1163 CHClCH3 1-chloroethyl radical chclch3  
1164 C2H5F fluoroethane c2h5f  
1165 CH3CH2Cl Ethyl chloride c2h5cl  
1166 CH3SiFH2 fluoromethylsilane ch3sifh2  
1167 C2H5Br Ethyl bromide etbr  
1168 C2H5I Ethyl iodide c2h5i  
1169 KrF2 Krypton difluoride krf2  
1170 XeF2 Xenon difluoride xef2  
1171 B4H10 Tetraborane(10) b4h10  
1172 C4 Carbon tetramer c4  
1173 C4+ Carbon tetramer cation c4+  
1174 C4H2 Diacetylene c4h2  
1175 C4H2+ diacetlyene cation c4h2+  
1176 C2H3CCH 1-Buten-3-yne c2h3cch  
1177 C4H4 cyclobutadiene cbd  
1178 C4H4 Tetrahedrane c4h4  
1179 H2CCCCH2 Butatriene h2cccch2  
1180 C4H6 1-Methylcyclopropene c3100047  
1181 C4H6 Cyclobutene c822355  
1182 C4H6 Methylenecyclopropane c6142730  
1183 CH2CCHCH3 1,2-Butadiene butad12  
1184 CH2CHCHCH2 1,3-Butadiene c106990  
1185 CH3CCCH3 2-Butyne c503173  
1186 CHCCH2CH3 1-Butyne c107006  
1187 CH3CHCHCH2 methylallyl radical c4h7  
1188 C4H8 methylcyclopropane mcp  
1189 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1190 CH2CHCH2CH3 1-Butene bute1  
1191 CH3CHCHCH3 2-Butene, (E)- bute2e  
1192 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1193 B(CH3)3 trimethylborane bme3  
1194 Al(CH3)3 trimethyl aluminum tma  
1195 C(CH3)3 Tert-butyl radical tbutyl  
1196 CH2CH(CH3)2 Isobutyl radical isobutyl  
1197 CH3CHCH2CH3 2-Butyl radical butyl2  
1198 CH3CH(CH3)CH3 Isobutane isobutane  
1199 CH3CH2CH2CH3 Butane butane  
1200 SiH(CH3)3 trimethylsilane trimsi  
1201 Li3N trilithium nitride li3n  
1202 C2N2 Cyanogen c2n2  
1203 C2N2+ Cyanogen cation c2n2+  
1204 P4 Phosphorus tetramer p4  
1205 As4 Arsenic tetramer as4  
1206 HCCCN Cyanoacetylene hcccn  
1207 HCCCN+ Cyanoacetylene cation hcccn+  
1208 H2CNCN cyanamide, methylene ch2ncn  
1209 HNCCNH Ethenediimine hnccnh  
1210 C3H3N acrylonitrile ch2chcn  
1211 C3H3N+ acrylonitrile cation ch2chcn+  
1212 CH3N3 methyl azide ch3n3  
1213 NH2CCNH2 Diaminoacetylene daa  
1214 NH2CH2CN Aminoacetonitrile aan  
1215 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1216 C2H5CN ethyl cyanide c2h5cn  
1217 CH5N3 Guanidine guanidine  
1218 C4H6 Bicyclo[1.1.0]butane c157335  
1219 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1220 H2NCHCHNH2 diaminoethylene dae  
1221 CH6N3+ guanidinium ch6n3+  
1222 C3H7N Cyclopropylamine cpram  
1223 CH7N3 triaminomethane tam  
1224 C3H7N Azetidine azet  
1225 C4H8 cyclobutane cbutane  
1226 C2H8N2 Ethylenediamine ethdiam  
1227 CH3NHNHCH3 dimethyl hydrazine dmh  
1228 CH3CH(NH2)CH3 2-Propanamine pram2  
1229 N(CH3)3 Trimethylamine trimeam  
1230 NH2CH2CH2CH3 1-Propanamine pram1  
1231 P(CH3)3 trimethylphosphine tmp  
1232 N(SiH3)3 trisilylamine tsa  
1233 As(CH3)3 trimethyl arsine tmas  
1234 (CH3)3NH+ protonated trimethyl amine ptma  
1235 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1236 Li2O2 dilithium dioxide li2o2  
1237 Na2O2 disodium dioxide na2o2  
1238 K2O2 dipotassium dioxide k2o2  
1239 C3O Tricarbon monoxide c3o  
1240 B2O2 Diboron dioxide b2o2  
1241 ONNO NO dimer onno  
1242 S2N2 Disulfur dinitride s2n2  
1243 CO3 Carbon trioxide co3  
1244 CO3-- carbonate co3--  
1245 CS3-- Carbonotrithioate cs3--  
1246 NO3 Nitrogen trioxide no3  
1247 NO3- nitrate anion no3-  
1248 NO3+ nitrogen trioxide cation no3+  
1249 SO3- Sulfur trioxide anion so3-  
1250 SO3-- Sulfate dianion so3--  
1251 SO3+ Sulfur trioxide cation so3+  
1252 SeO3 selenium trioxide seo3  
1253 S4 Sulfur tetramer s4  
1254 TeO3 Tellurium trioxide teo3  
1255 HCO3- bicarbonate anion hco3-  
1256 HNO3 Nitric acid hno3  
1257 HSO3 Hydroxysulfonyl radical hso3  
1258 NH2NO2 nitramide nh2no2  
1259 C2H2CO cyclopropenone c2h2co  
1260 C3H2O Propadienal c3h2o  
1261 HCCCHO 2-propynal hcccho  
1262 C2H2O2 Ethanedial c2h2o2  
1263 C2H2O2+ Ethanedial cation c2h2o2+  
1264 H2CO3 Carbonic acid h2co3  
1265 H2CS3 thiocarbonic acid h2cs3  
1266 H2NO3+ Nitric Acid, Protonated h2no3+  
1267 H2SO3 Sulfurous acid h2so3  
1268 C2H3NO Nitrosoethylene c2h3no  
1269 CH3NCO methylisocyante ch3nco  
1270 HOCH2CN cyanomethanol hoch2cn  
1271 CH3COO- acetate anion ch3coo-  
1272 CH3NO2 Methane, nitro- ch3no2  
1273 CH3ONO Methyl nitrite ch3ono  
1274 NH2COOH Carbamic acid nh2cooh  
1275 H3BO3 Boric acid h3bo3  
1276 H3AlO3 Aluminum hydroxide h3alo3  
1277 H3CO3+ carbonic acid, protonated h3co3+  
1278 C3H4O 2-Propyn-1-ol c107197  
1279 C3H4O allenol c9000071  
1280 C3H4O Cyclopropanone cpone  
1281 C3H4O Methylketene c6004440  
1282 CH2CHCHO Acrolein c3h4o  
1283 NH2CONH2 Urea urea  
1284 NH2CONH2+ Urea cation urea+  
1285 NH2CSNH2 Thiourea thiourea  
1286 C2H4O2 1,3-dioxetane c2h4o2  
1287 CH3COOH Acetic acid ch3cooh  
1288 CH3OCHO methyl formate ch3ocho  
1289 CHOCH2OH hydroxy acetaldehyde haa  
1290 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1291 NH3COOH+ protonated Carbamic acid nh3cooh+  
1292 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1293 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1294 HCOOHH2O Formic acid water dimer hcoohh2o  
1295 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1296 CH3COCH2 Acetonyl radical ch3coch2  
1297 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1298 CH3C(OH)=NH Ethaninidic acid eia  
1299 CH3CHNOH Acetaldoxime acetaldoxime  
1300 CH3CONH2 Acetamide acetamide  
1301 HCONHCH3 N-methylformamide nmfa  
1302 CH3CSNH2 Ethanethioamide ch3csnh2  
1303 CH5N2O+ urea, N-protonated ch4n2o+  
1304 H2NCOHNH2+ urea, protonated ureah+  
1305 C2H5OO ethylperoxy radical c2h5oo  
1306 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1307 C3H5OH Cyclopropanol cproh  
1308 C3H6O 2-Propen-1-ol c107186  
1309 C3H6O Acetone enol enol  
1310 C3H6O Oxetane oxetane  
1311 C3H6O Propylene oxide prox  
1312 CH3CH2CHO Propanal propanal  
1313 CH3COCH3 Acetone acetone  
1314 CH3COCH3- acetone anion ch3coch3-  
1315 C3H6S Thietane thietane  
1316 C3H6S Thiirane, methyl- methiirane  
1317 CH3CSCH3 Thioacetone ch3csch3  
1318 C2H6O2 1,2-Ethanediol ethdiol  
1319 CH3OOCH3 dimethylperoxide dmp  
1320 CH3SOCH3 Dimethyl sulfoxide dmso  
1321 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1322 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1323 CH3COHCH3+ acetone, protonated acetoneh+  
1324 HOCH2CH2NH2 monoethanolamine mea  
1325 C3H7OH 1-Propanol proh  
1326 CH3CHOHCH3 Isopropyl alcohol isoproh  
1327 CH3OC2H5 Ethane, methoxy- etome  
1328 C3H7SH 1-Propanethiol prsh  
1329 CH3CHSHCH3 2-Propanethiol isoprsh  
1330 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1331 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1332 Li2F2 Lithium fluoride dimer li2f2  
1333 Na2F2 Sodium Fluoride Dimer na2f2  
1334 Na2Cl2 Disodium dichloride na2cl2  
1335 C2F2 difluoroacetylene c2f2  
1336 C2Cl2 dichloroacetylene c2cl2  
1337 C2Cl2+ dichloroacetylene cation c2cl2+  
1338 FNO2 Nitryl fluoride fno2  
1339 FONO Nitrosyl hypofluorite fono  
1340 ClNO2 Nitryl chloride clno2  
1341 ClONO chlorine nitrite clono  
1342 BrONO Bromine nitrite brono  
1343 N2F2 (Z)-Difluorodiazene n2f2_z  
1344 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1345 CF2O Carbonic difluoride f2co  
1346 CF2O+ Carbonic difluoride cation f2co+  
1347 COFCl Carbonic chloride fluoride cofcl  
1348 CCl2O Phosgene cl2co  
1349 Cl2CS Thiophosgene cl2cs  
1350 COBr2 Carbonic dibromide cobr2  
1351 BF3 Borane, trifluoro- bf3  
1352 BF3- Borane, trifluoro- anion bf3-  
1353 BF3+ boron trifluoride cation bf3+  
1354 AlF3 Aluminum trifluoride alf3  
1355 BClF2 Chlorodifluoroborane bclf2  
1356 AlF2Cl Aluminum chloride difluoride alclf2  
1357 ScF3 Scandium trifluoride ScF3  
1358 AlFCl2 Aluminum dichloride fluoride alcl2f  
1359 BCl3 Borane, trichloro- bcl3  
1360 BCl3+ Boron Trichloride cation bcl3+  
1361 GaF3 Gallium trifluoride gaf3  
1362 AlCl3 Aluminum trichloride alcl3  
1363 GaCl3 Gallium trichloride gacl3  
1364 BBr3 Boron tribromide bbr3  
1365 AlBr3 Aluminum Bromide albr3  
1366 ClO3 Chlorine trioxide clo3  
1367 ClO3- chlorate anion clo3-  
1368 BrO3- Bromate anion bro3-  
1369 CF3 Trifluoromethyl radical cf3  
1370 CF3- Trifluoromethyl anion cf3-  
1371 CF3+ Trifluoromethyl cation cf3+  
1372 CF2Cl difluorochloromethyl radical cf2cl  
1373 SiF3 Silicon trifluoride radical sif3  
1374 SiF3+ Silicon trifluoride cation sif3+  
1375 CFCl2 dichlorofluoromethyl radical cfcl2  
1376 CCl3 Trichloromethyl radical ccl3  
1377 CCl3- Trichloromethyl anion ccl3-  
1378 CCl3+ Trichloromethyl cation ccl3+  
1379 SiCl3 trichlorosilyl radical sicl3  
1380 SiCl3+ trichlorosilyl cation sicl3+  
1381 CBr3 tribromomethyl radical cbr3  
1382 FOOF Perfluoroperoxide foof  
1383 F2SO Thionyl Fluoride f2so  
1384 ClOOCl Dichlorine dioxide cloocl  
1385 FSSF Difluorodisulfane fssf  
1386 S2F2 Thio-thionyl fluoride s2f2  
1387 SOCl2 thionyl chloride socl2  
1388 SSCl2 Thiothionyl chloride sscl2  
1389 SeOCl2 selenium oxychloride seocl2  
1390 NF3 Nitrogen trifluoride nf3  
1391 NF3- Nitrogen trifluoride anion nf3-  
1392 NF3+ Nitrogen trifluoride cation nf3+  
1393 PF3 Phosphorus trifluoride pf3  
1394 NCl3 nitrogen trichloride ncl3  
1395 AsF3 Arsenic trifluoride asf3  
1396 PCl3 Phosphorus trichloride pcl3  
1397 SbF3 Antimony Trifluoride sbf3  
1398 AsCl3 Arsenous trichloride ascl3  
1399 SbCl3 Antimony Trichloride sbcl3  
1400 NBr3 Nitrogen Tribromide nbr3  
1401 PBr3 Phosphorus tribromide pbr3  
1402 AsBr3 Arsenic tribromide asbr3  
1403 NI3 Nitrogen triiodide ni3  
1404 PI3 Phosphorus triiodide pi3  
1405 ClSSCl Disulfur dichloride s2cl2  
1406 SF3 Sulfur trifluoride sf3  
1407 ClF3 Chlorine trifluoride clf3  
1408 BrF3 Bromine trifluoride brf3  
1409 IF3 iodone trifluoride if3  
1410 HClO3 Chloric Acid hclo3  
1411 CHF3 Methane, trifluoro- chf3  
1412 CHF2Cl difluorochloromethane chf2cl  
1413 SiHF3 trifluorosilane sihf3  
1414 CHFCl2 fluorodichloromethane chfcl2  
1415 CDCl3 trichloromethane-d cdcl3  
1416 CHCl3 Chloroform chcl3  
1417 CHBrF2 Methane, bromodifluoro- chbrf2  
1418 SiHCl3 Trichlorosilane sihcl3  
1419 CHFClBr fluorochlorobromomethane chfclbr  
1420 CHBrCl2 Methane, bromodichloro- chbrcl2  
1421 CHF2I difluoroiodomethane chf2i  
1422 CHBr2F dibromofluoromethane chbr2f  
1423 CHFClI fluorochloroiodomethane chfcli  
1424 CHCl2I dichloroiodomethane chcl2i  
1425 CHClBr2 Methane, dibromochloro- chclbr2  
1426 CHBr3 bromoform chbr3  
1427 CHI3 Iodoform chi3  
1428 NF3H+ protonated nitrogen trifluoride nf3h+  
1429 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1430 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1431 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1432 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1433 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1434 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1435 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1436 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1437 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1438 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1439 C2H2Br2 1,1-dibromoethene c2h2br2  
1440 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1441 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1442 CH2FCHO Fluoroacetaldehyde ch2fcho  
1443 CH3COF Acetyl fluoride ch3cof  
1444 CH2ClCHO chloroacetaldehyde ch2clcho  
1445 CH3COCl Acetyl Chloride ch3cocl  
1446 C2H4F2 1,2-difluoroethane c2h4f2  
1447 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1448 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1449 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1450 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1451 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1452 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1453 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1454 CH2CFCH3 2-fluoropropene 2fpro  
1455 CH2CHCH2F Allyl Fluoride allylf  
1456 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1457 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1458 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1459 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1460 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1461 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1462 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1463 CH2FCH2CH3 1-Fluoropropane prf1  
1464 CH3CHFCH3 2-Fluoropropane prf2  
1465 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1466 CH3CHClCH3 Propane, 2-chloro- prcl2  
1467 CH3CH2CH2Br n-propyl bromide prbr  
1468 CH3CHBrCH3 i-propyl bromide iprbr  
1469 C3H9O+ trimethyl oxonium cation c3h9o+  
1470 B5H9 pentaborane9 b5h9  
1471 C5H4 pentatetraene ptrene  
1472 C5H5 cyclopentadienyl radical c5h5  
1473 C5H5- cylopentadienyl anion c5h5-  
1474 C5H6 1,3-Cyclopentadiene c542927  
1475 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1476 C5H6 3-Penten-1-yne, (E)- c2004695  
1477 C5H6 3-Penten-1-yne, (Z)- c1574409  
1478 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1479 C5H6 Cyclopropylacetylene c6746947  
1480 C5H6 Propellane propellane  
1481 C5H7 1,3-pentadienyl radical pdyl  
1482 C5H7 cyclopentenyl radical cpyl  
1483 C5H8 1,2-Butadiene, 3-methyl- c598254  
1484 C5H8 1,2-Pentadiene c591957  
1485 C5H8 1,3-Butadiene, 2-methyl- c78795  
1486 C5H8 1,3-Pentadiene, (E)- c2004708  
1487 C5H8 1,3-Pentadiene, (Z)- c1574410  
1488 C5H8 1,4-Pentadiene c591935  
1489 C5H8 1-pentyne a1pentyne  
1490 C5H8 2,3-Pentadiene c591968  
1491 C5H8 Bicyclo[1.1.1]pentane bcp  
1492 C5H8 Cyclobutane, methylene- c1120565  
1493 C5H8 Cyclopentene c142290  
1494 C5H8 Ethenylcyclopropane c693867  
1495 CH3CCCH2CH3 2-Pentyne 2pentyne  
1496 C5H10 1-Butene, 2-methyl- c563462  
1497 C5H10 2-Butene, 2-methyl- c513359  
1498 C5H10 2-Pentene, (E)- c646048  
1499 C5H10 2-Pentene, (Z)- c627203  
1500 C5H10 Cyclopentane c287923  
1501 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1502 CH2CHCH2CH2CH3 1-pentene pentene  
1503 C5H11 2-Methylbut-2-yl radical c4348350  
1504 C5H12 Butane, 2-methyl- buta2  
1505 C5H12 Pentane pentane  
1506 C5H12 Propane, 2,2-dimethyl- neopentane  
1507 Si(CH3)4 tetramethylsilane tms  
1508 N2O3 Dinitrogen trioxide n2o3  
1509 C3H2N2 Malononitrile c3h2n2  
1510 CH2N4 1H-Tetrazole 1htz  
1511 C3H3N2 imidazolyl radical im  
1512 C3H3N2- imidizolyl anion im-  
1513 C2H3N3 1H-1,2,4-Triazole c288880  
1514 C4H4N pyrrolide radical c4h4n  
1515 C4H4N- pyrrolide anion c4h4n-  
1516 C3H4N2 1H-Imidazole 1himidaz  
1517 C3H4N2 1H-Pyrazole 1hpyraz  
1518 C3H4N2 2H-Imidazole imid2h  
1519 C3H4N2 4H-Imidazole imid4h  
1520 C4H5N (E)-2-Butenenitrile c627269  
1521 C4H5N (Z)-2-Butenenitrile c1190767  
1522 C4H5N 2H-pyrrole pyrrole2  
1523 C4H5N 3H-pyrrole pyrrole3  
1524 C4H5N Cyclopropanecarbonitrile c5500210  
1525 C4H5N Pyrrole pyrrole  
1526 CH2CHCH2CN Allylcyanide ch2chch2cn  
1527 C4H6N+ pyrrole, alpha-protonated appyr  
1528 C4H6N+ pyrrole, beta-protonated bppyr  
1529 C4H6N+ pyrrole, protonated ppyr  
1530 C3H6N2 3-Aminopropionitrile c151188  
1531 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1532 CH3CH2CH2CN Butanenitrile c109740  
1533 C5H8 Bicyclo[2.1.0]pentane c185944  
1534 C5H8 Spiropentane c157404  
1535 C4H9N Cyclobutylamine cbam  
1536 C4H9N Pyrrolidine pyrrolidine  
1537 C3H10N2 1,2-Diaminopropane diampr12  
1538 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1539 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1540 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1541 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1542 NH(C2H5)2 diethylamine dea  
1543 NC4H12+ tetramethyl ammonium cation nc4h12+  
1544 C3O2 Carbon suboxide c3o2  
1545 C3O2+ Carbon suboxide cation c3o2+  
1546 B2O3 diboron trioxide b2o3  
1547 MgCO3 Magnesium Carbonate mgco3  
1548 BeCO3 Beryllium Carbonate beco3  
1549 CaCO3 Calcium Carbonate caco3  
1550 ONONO Nitrosyl nitrite onono  
1551 PO4--- phosphate po4---  
1552 SO4-- sulfate so4--  
1553 HOONO2 peroxy nitric acid hoono2  
1554 HSO4- bisulfate anion hso4-  
1555 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1556 C3H2O2 Propiolic acid c3h2o2  
1557 CHOCOOH oxo acetic acid oaa  
1558 CHOOCHO diformyl ether choocho  
1559 H2SO4 Sulfuric acid h2so4  
1560 H2SeO4 Selenic acid h2seo4  
1561 C3H3NO Isoxazole isox  
1562 C3H3NO Oxazole oxazole  
1563 C3H3NS Thiazole thiazole  
1564 CH3C(O)OO acetyl peroxy radical ch3coo2  
1565 CH3NO3 Methyl nitrate ch3no3  
1566 H3PO4 Phosphoric Acid h3po4  
1567 C4H4O Furan furan  
1568 C4H4O+ Furan cation furan+  
1569 CH3COCCH 3-butyn-2-one c1423605  
1570 C4H4S Thiophene furans  
1571 C4H4Se selenophene c4h4se  
1572 C3H4O2 β–Propiolactone beta  
1573 C3H4O2 2-Propenoic acid propenoic2  
1574 C3H4O2 Methyl glyoxal megly  
1575 C3H4O2 propanedial propanedial  
1576 C3H4O2 propenalol propenalol  
1577 HOCHCCHOH allenediol aldiol  
1578 C2H4O3 1,2,3-trioxolane c2h4o3  
1579 C2H4O3 trioxolane124 triox  
1580 HOCH2COOH Hydroxyacetic acid hac  
1581 CH2CHCONH2 Acrylamide c79061  
1582 CH3OCH2CN Methoxyacetonitrile c1738369  
1583 CH5N3S Hydrazinecarbothioamide c79196  
1584 H2NCH2COOH Glycine glycine  
1585 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1586 C4H6O cis-2-butenal butenal2c  
1587 C4H6O Cyclobutanone cbutone  
1588 C4H6O Furan, 2,3-dihydro- furan23h  
1589 C4H6O Furan, 2,5-dihydro- furan25h  
1590 CH2CHOCHCH2 Vinyl ether vinylether  
1591 CHOCHCHCH3 2-Butenal butenal2  
1592 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1593 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1594 CH2CHSCHCH2 Divinyl sulfide divis  
1595 C2H6N2O Urea, methyl- c598505  
1596 C3H6O2 1,3-Dioxolane dioxolane  
1597 CH3CH2COOH Propanoic Acid propanoic  
1598 CH3COOCH3 methyl acetate aame  
1599 HCOOC2H5 Ethyl formate faee  
1600 C2H6O2S Dimethyl sulfone c67710  
1601 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1602 C3H7NO dimethylformamide dmf  
1603 C3H7NO Propanamide propanam  
1604 C2H3OC2H5 Ethene, ethoxy- c109922  
1605 C4H8O Cyclobutanol c2919235  
1606 C4H8O Furan, tetrahydro- thf  
1607 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1608 CH3COCH2CH3 2-Butanone buta2one  
1609 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1610 CHOCH2CH2CH3 Butanal butanal  
1611 C4H8S Thiophene, tetrahydro- tht  
1612 C3H8O2 1,3-Propanediol c504632  
1613 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1614 C3H8O2 Methane, dimethoxy- c109875  
1615 C3H8O2 Propylene glycol c57556  
1616 C3H8S2 1,3-Propanedithiol c109808  
1617 C4H10O 1-Butanol butanol1  
1618 C4H10O 1-Propanol, 2-methyl- c78831  
1619 C4H10O 2-Butanol, (.+/-.)- butanol2  
1620 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1621 C4H10O Ethoxy ethane etoet  
1622 C4H10O Methyl propyl ether meopr  
1623 C4H10O Propane, 2-methoxy- c598538  
1624 C4H10O+ 1-Butanol cation butanol1+  
1625 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1626 C2H5SC2H5 Diethyl sulfide etset  
1627 C4H9SH 1-Butanethiol bush  
1628 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1629 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1630 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1631 FNO3 Fluorine nitrate fno3  
1632 ClONO2 Chlorine nitrate clono2  
1633 BrONO2 Bromine nitrate brono2  
1634 TiCl4 Titanium tetrachloride ticl4  
1635 ClO4- perchlorate anion clo4-  
1636 BF4- tetrafluoroboron anion bf4-  
1637 ClFO3 Perchloryl fluoride clfo3  
1638 SO2F2 Sulfuryl fluoride so2f2  
1639 SO2Cl2 Sulfuryl chloride so2cl2  
1640 F3NO Nitrogen trifluoride oxide f3no  
1641 F3PO Phosphoryl fluoride pf3o  
1642 Cl3PO Phosphoryl chloride pcl3o  
1643 CF4 Carbon tetrafluoride cf4  
1644 CF3Cl Methane, chlorotrifluoro- cf3cl  
1645 SiF4 Silicon tetrafluoride sif4  
1646 CF2Cl2 difluorodichloromethane cf2cl2  
1647 TiF4 Titanium tetrafluoride tif4  
1648 CFCl3 Trichloromonofluoromethane cfcl3  
1649 CF3Br Bromotrifluoromethane cf3br  
1650 GeF4 Germanium tetrafluoride gef4  
1651 CCl4 Carbon tetrachloride ccl4  
1652 CCl4+ Carbon tetrachloride cation ccl4+  
1653 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1654 SiCl4 Silane, tetrachloro- sicl4  
1655 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1656 CF3I trifluoroiodomethane cf3i  
1657 CBrCl3 Methane, bromotrichloro- cbrcl3  
1658 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1659 GeCl4 Germanium Tetrachloride gecl4  
1660 CBr2ClF dibromochlorofluoromethane cbr2clf  
1661 CBr2Cl2 dibromodichloromethane cbr2cl2  
1662 CCl3I trichloroiodomethane ccl3i  
1663 CFBr3 fluorotribromomethane cfbr3  
1664 CFClBrI fluorochlorobromoiodomethane cfclbri  
1665 CBr3Cl tribromochloromethane cbr3cl  
1666 CF2I2 difluorodiiodomethane cf2i2  
1667 CBr4 Carbon tetrabromide cbr4  
1668 CCl2I2 dichlorodiiodomethane ccl2i2  
1669 SiBr4 Silicon tetrabromide sibr4  
1670 CBr3I tribromoiododmethane cbr3i  
1671 GeBr4 Germanium tetrabromide gebr4  
1672 CI4 tetraiodomethane ci4  
1673 SiI4 silicon tetraiodide sii4  
1674 ClOF3 Chlorine trifluoride oxide clof3  
1675 SF4 Sulfur tetrafluoride sf4  
1676 SeF4 Selenium tetrafluoride sef4  
1677 SCl4 Sulfur tetrachloride scl4  
1678 C2HF3 Trifluoroethylene c2hf3  
1679 C2HF3+ Trifluoroethylene cation c2hf3+  
1680 CHClCCl2 Trichloroethylene chclccl2  
1681 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1682 HClO4 perchloric acid hclo4  
1683 HSO3F Fluorosulfonic acid hso3f  
1684 CF3OH trifluoromethanol cf3oh  
1685 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1686 CHClCCHCl 1,3-dichloroallene chclcchcl  
1687 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1688 CHCl2CHO dichloroacetaldehyde chcl2cho  
1689 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1690 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1691 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1692 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1693 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1694 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1695 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1696 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1697 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1698 NH3BCl3 Amminetrichloroboron nh3bcl3  
1699 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1700 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1701 C3H5ClO Oxirane, (chloromethyl)- c106898  
1702 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1703 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1704 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1705 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1706 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1707 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1708 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1709 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1710 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1711 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1712 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1713 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1714 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1715 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1716 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1717 C4H9F 1-fluorobutane butaf1  
1718 CH3CHFCH2CH3 2-fluorobutane butaf2  
1719 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1720 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1721 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1722 XeF4 Xenon tetrafluoride xef4  
1723 C2H2N2O Furazan furazan  
1724 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1725 NH3BF3 Amminetrifluoroboron nh3bf3  
1726 C6H2 hexatriyne c6h2  
1727 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1728 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1729 C6H4 Benzyne benzyne  
1730 C6H5 phenyl phenyl  
1731 C6H5- phenyl anion phenyl-  
1732 C6H6 Prismane prismane  
1733 C6H6 1,2,4,5-Hexatetraene ht1245  
1734 C6H6 2,4-Hexadiyne hexadiyne  
1735 C6H6 3,4-Dimethylenecyclobutene cb34m  
1736 C6H6 Benzene benzene  
1737 C6H6 Benzvalene bv  
1738 C6H6 Dewar Benzene dewar  
1739 C6H6 Hexa-1,5-diene-3-yne hdy153  
1740 C6H6 Trimethylenecycopropane tmcp  
1741 C6H6+ Benzene cation c6h6+  
1742 C6H7+ benzene, protonated c6h7+  
1743 C6H8 (E)-hexa-1,3,5-triene c821078  
1744 C6H8 (E)-hexa-2,3,4-triene c59660650  
1745 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1746 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1747 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1748 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1749 C6H8 3-Methylenecyclopentene c930267  
1750 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1751 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1752 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1753 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1754 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1755 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1756 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1757 C6H10 1,5-Hexadiene c592427  
1758 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1759 C6H10 1-Hexyne hexyne1  
1760 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1761 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1762 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1763 C6H10 2-Hexyne c764352  
1764 C6H10 3-Hexyne hexyne3  
1765 C6H10 cyclohexene cyclohexene  
1766 C6H10 Cyclopentene, 1-methyl- c693890  
1767 C6H10 Cyclopentene, 3-methyl- c1120623  
1768 C6H10 Cyclopentene, 4-methyl- c1759815  
1769 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1770 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1771 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1772 C6H12 (E)-2-Hexene e2hexene  
1773 C6H12 (E)-3-methylpent-2-ene c616126  
1774 C6H12 (E)-hex-3-ene e3hexene  
1775 C6H12 (Z)-3-methylpent-2-ene c922623  
1776 C6H12 (Z)-hex-2-ene z2hexene  
1777 C6H12 (Z)-hex-3-ene z3hexene  
1778 C6H12 2,3-dimethylbut-1-ene c563780  
1779 C6H12 2,3-dimethyl-but-2-ene tmeet  
1780 C6H12 3-methylenepentane c760214  
1781 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1782 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1783 C6H12 Cyclohexane cyclohexane  
1784 C6H12 Cyclopentane, methyl- c96377  
1785 C6H12 Ethylcyclobutane c4806615  
1786 C6H12 hex-1-ene hexene1  
1787 C6H14 Butane, 2,2-dimethyl- buta22  
1788 C6H14 Butane, 2,3-dimethyl- buta23  
1789 C6H14 Hexane hexane  
1790 C6H14 Pentane, 2-methyl- penta2  
1791 C6H14 Pentane, 3-methyl- penta3  
1792 C4N2 2-Butynedinitrile c4n2  
1793 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1794 C4H2N2 Fumaronitrile c4h2n2  
1795 C2H2N4 sym-tetrazine ttz  
1796 C3H3N3 1,3,5-Triazine triazine135  
1797 CH3N5 5-Aminotetrazole c4418615  
1798 C4H4N2 1,3-Diazine diazine13  
1799 C4H4N2 Pyrazine pyrazine  
1800 C4H4N2 Pyridazine pyridazine  
1801 C4H4N2 Succinonitrile c110612  
1802 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1803 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1804 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1805 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1806 C5H5N E-2,4-pentadienenitrile bdcn  
1807 C5H5N Pyridine pyridine  
1808 B3N3H6 borazine borazine  
1809 C6H6 Fulvene fulvene  
1810 C5H6N+ Pyridinium c5h6n  
1811 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1812 C5H7N (E)-2-Pentenenitrile c26294984  
1813 C5H7N (E)-3-Pentenenitrile c16529661  
1814 C5H7N (Z)-2-Pentenenitrile c25899507  
1815 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1816 C5H7N Cyclobutanecarbonitrile c4426113  
1817 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1818 C5H9N Butanenitrile, 2-methyl- c18936179  
1819 C5H9N Pentanenitrile c110598  
1820 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1821 C6H10 Bicyclo[3.1.0]hexane c285585  
1822 C5H11N Cyclopentanamine cypentam  
1823 C5H11N Piperidine piper  
1824 C4H12N2 1,2-Butanediamine c4426486  
1825 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1826 Li2CO3 Lithium Carbonate li2co3  
1827 Na2CO3 Sodium Carbonate na2co3  
1828 C2O4-- oxalate anion c2o4  
1829 MgSO4 Magnesium Sulfate mgso4  
1830 N2O4 Dinitrogen tetroxide n2o4  
1831 C3H2O3 vinylene carbonate vica  
1832 C2H2O4 Oxalic Acid oxalic  
1833 C2H3NO3 Oxamic acid oxamic  
1834 C4H4O2 2(5H)-Furanone furanone  
1835 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1836 C2H4N2O2 Oxalamide oxalamide  
1837 C2H4N2S2 Ethanedithioamide c79403  
1838 C2H4CO3 Ethylene carbonate etco3  
1839 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1840 C3H4S3 1,3-Dithiolane-2-thione c822388  
1841 C2H4O4 Formic acid dimer fadimer  
1842 C4H5NO 3-Methylisoxazole isox3m  
1843 C4H5NO Isoxazole, 5-methyl- c5765446  
1844 C4H5NS 4-Methylthiazole c693958  
1845 C2H5NO3 Nitric acid, ethyl ester c625581  
1846 C5H6O 2H-Pyran pyran2  
1847 C5H6O 2-methylfuran furan2m  
1848 C5H6O 3-Methylfuran furan3m  
1849 C5H6O Pentadienal pdal  
1850 C5H6S Thiophene, 2-methyl- c554143  
1851 C5H6S Thiophene, 3-methyl- c616444  
1852 C4H6O2 γ–Butyrolactone c96480  
1853 C4H6O2 2,3-Butanedione c431038  
1854 C4H6O2 2-Propenoic acid, methyl ester c96333  
1855 C4H6O2 Crotonic Acid crot  
1856 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1857 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1858 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1859 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1860 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1861 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1862 C4H6OS Vinyl sulfoxide c1115157  
1863 CH6N4S Carbonothioic dihydrazide thiacarb  
1864 C2H6N2O2 (E)-Azodioxymethane c37765154  
1865 C2H6N2O2 Dimethylnitroamine c4164287  
1866 C3H6O3 1,3,5-Trioxane trioxane  
1867 C3H6S3 1,3,5-Trithiane c3h6s3  
1868 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1869 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1870 C4H7NO 2-Pyrrolidinone c616455  
1871 C4H7NO Ethoxyacetonitrile etoaccn  
1872 C4H7NO Methacrylamide c79390  
1873 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1874 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1875 C3H7ONO Propyl nitrite prono  
1876 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1877 CH3CH(NH2)COOH Alanine alanine  
1878 CH3NHCH2COOH Sarcosine sarcosine  
1879 NH2CH2CH2COOH β–alanine betaalanine  
1880 NH2COOC2H5 Urethane urethane  
1881 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1882 C5H8O Cyclopentanone c120923  
1883 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1884 C5H8O Methyl cyclopropyl ketone c765435  
1885 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1886 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1887 NH2CONHC2H5 Urea, ethyl- c625525  
1888 C4H8O2 1,3-Dioxane dioxan13  
1889 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1890 C4H8O2 1,4-Dioxane dioxan14  
1891 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1892 C4H8O2 Ethyl acetate c141786  
1893 C4H8OS s-Ethyl thioacetate c625605  
1894 C3H8O3 1,2,3-Propanetriol glycerin  
1895 C3H8O2S (Methylsulfonyl)ethane c594434  
1896 C4H9NO Butanamide c541355  
1897 C4H9NO Propanamide, 2-methyl- c563837  
1898 C5H10O 2-Butanone, 3-methyl- c563804  
1899 C5H10O 2H-Pyran, tetrahydro- c142687  
1900 C5H10O 2-methylbutyraldehyde 2meba  
1901 C5H10O 2-Pentanone mpk  
1902 C5H10O 3-Pentanone dek  
1903 C5H10O Cyclopentanol c96413  
1904 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1905 C5H10O Pentanal pal  
1906 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1907 C5H10S 3-Ethylthio-1-propene c5296628  
1908 C5H10S Cyclopentanethiol c1679078  
1909 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1910 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1911 C4H10O2 1,1-Dimethoxyethane c534156  
1912 C4H10O2 1,3-Butanediol budiol13  
1913 C4H10O2 1,4-Butanediol budiol14  
1914 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1915 C4H10OS Diethyl sulfoxide c70291  
1916 C4H10S2 1,4-Butanedithiol budisl14  
1917 C4H11NO Diethylhydroxylamine c3710847  
1918 C5H12O 1-Butanol, 2-methyl- c137326  
1919 C5H12O 1-Butanol, 3-methyl- c123513  
1920 C5H12O 1-Pentanol pentanol1  
1921 C5H12O 2-Butanol, 3-methyl- c598754  
1922 C5H12O 2-Pentanol peol2  
1923 C5H12O 3-Pentanol pentan3ol  
1924 C5H12O Butane, 1-methoxy- meobu  
1925 C5H12O Propane, 1-ethoxy- proet  
1926 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1927 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1928 C5H12S 1-Butanethiol, 3-methyl- c541311  
1929 C5H12S 1-Pentanethiol c110667  
1930 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1931 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1932 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1933 C5H12S Butane, 1-(methylthio)- c628295  
1934 C5H12S Ethyl propyl sulfide c4110503  
1935 C5H12S Propane, 2-(ethylthio)- c5145993  
1936 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1937 C4F2 difluorobutadiyne c4f2  
1938 ClCOClCO Oxalyl chloride oxcl  
1939 CF3CN Acetonitrile, trifluoro- cf3cn  
1940 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1941 B2F4 Diboron tetrafluoride b2f4  
1942 B2Cl4 Diboron tetrachloride b2cl4  
1943 C2F4 Tetrafluoroethylene c2f4  
1944 C2F4+ Tetrafluoroethylene cation c2f4+  
1945 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1946 CF2CCl2 difluorodichloroethylene cf2ccl2  
1947 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1948 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1949 C2FCl3 fluorotrichloroethene c2fcl3  
1950 C2Cl4 Tetrachloroethylene c2cl4  
1951 C2Br4 tetrabromoethene c2br4  
1952 CF3OF Trifluoromethylhypofluorite cf3of  
1953 SiF5- silicon pentafluoride anion sif5-  
1954 SOF4 Sulfur tetrafluoride oxide sof4  
1955 PF5 Phosphorus pentafluoride pf5  
1956 AsF5 Arsenic pentafluoride asf5  
1957 PCl5 Phosphorus pentachloride pcl5  
1958 SF5 Sulfur pentafluoride sf5  
1959 SF5+ pentafluoro sulfur cation sf5+  
1960 SbCl5 Antimony pentachloride sbcl5  
1961 BrF5 bromine pentafluoride brf5  
1962 ClF5 chlorinepentafluoride clf5  
1963 IF5 pentafluoroiodine if5  
1964 CF3CHO trifluoroacetaldehyde cf3cho  
1965 CCl3CHO trichloroacetaldehyde ccl3cho  
1966 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1967 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1968 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1969 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1970 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1971 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1972 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1973 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1974 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1975 CF3COOH trifluoroacetic acid cf3cooh  
1976 C4H3ClO Furan, 2-chloro fur2cl  
1977 C4H3ClO Furan,3-chloro fur3cl  
1978 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1979 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1980 C4H8Cl2 1,4-Dichlorobutane c110565  
1981 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1982 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1983 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1984 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1985 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1986 C5H11Cl Pentane, 1-chloro- pencl1  
1987 C4H8O2 Butanoic acid bua  
1988 C6H5CH2 benzyl radical benzyl  
1989 C7H7 cycloheptatrienyl radical c7h7  
1990 C7H7+ cycloheptatrienyl cation c7h7+  
1991 C6H5CH3 toluene toluene  
1992 C7H8 cycloheptatriene cht  
1993 C7H8 Norbornadiene norbor  
1994 C7H8 Quadricyclane qucy  
1995 C7H12 Norbornane nor  
1996 C7H14 cycloheptane c7h14  
1997 C7H16 2-methylhexane 2mhex  
1998 C7H16 3-methylhexane hex3m  
1999 C7H16 heptane heptane  
2000 CH(CN)3 tricyanomethane mecn3  
2001 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2002 C6H7N 2-Methylpyridine mp  
2003 C6H5NH2 aniline aniline  
2004 C6H13N 2-Methylpiperidine pip2m  
2005 C6H13N cyclohexanamine cham  
2006 C6H15N triethylamine tea  
2007 N2O5 Dinitrogen pentoxide n2o5  
2008 C4H2O3 Maleic Anhydride malan  
2009 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2010 C5H4O2 furfural furfural  
2011 C6H5O phenoxy radical phenoxy  
2012 C5H5NO 2(1H)-Pyridinone c72762006  
2013 C5H5NO 2(3H)-Pyridinone c9000048  
2014 C5H5NO 2(5H)-Pyridinone c9000037  
2015 C5H5NO 2-Pyridinol c109104  
2016 C5H5NO 3(2H)-Pyridinone c9000004  
2017 C5H5NO 3(4H)-Pyridinone c9000026  
2018 C5H5NO 3(6H)-Pyridinone c9000015  
2019 C5H5NO 3-Pyridinol c109002  
2020 C5H5NO 4(1H)-Pryidinone c9000060  
2021 C5H5NO 4(3H)-Pryidinone c9000059  
2022 C5H5NO 4-Pyridinol c626642  
2023 C6H5OH phenol phenol  
2024 C6H6O 2,4-Cyclohexadienone c24599573  
2025 C6H6O 2,5-Cyclohexadienone c5664335  
2026 C6H5SH Benzenethiol phsh  
2027 HO2CCHNH2CH2OH Serine serine  
2028 C5H8O2 Acetylacetone acac  
2029 C4H8O2S Sulfolane sulfolane  
2030 C7H10 Norbornene norbornene  
2031 CH(C2H3)3 trivinyl methane tvm  
2032 C6H10O cyclohexanone chexo  
2033 C6H12O hexanal c6h12o  
2034 C6H12O Oxepane oxepane  
2035 C3H7OC3H7 di-n-propyl ether propr  
2036 F2CCCF2 tetrafluoroallene pfa  
2037 CF3COO- trifluoro acetate anion cf3coo-  
2038 CF3COF trifluoroacetyl fluoride cf3cof  
2039 CF3COCl trifluoroacetyl chloride cf3cocl  
2040 PF6 Hexafluorophosphate neutral pf6  
2041 SF6 Sulfur Hexafluoride sf6  
2042 SeF6 Selenium hexafluoride sef6  
2043 SF5Cl sulfur chloropentafluoride sf5cl  
2044 CF3CHF2 pentafluoroethane cf3chf2  
2045 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2046 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2047 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2048 CCl3CHCl2 pentachloroethane ccl3chcl2  
2049 C6H5F Fluorobenzene bzf  
2050 C6H5Cl chlorobenzene bzcl  
2051 C6H5Br bromobenzene bzbr  
2052 C8H6 Calicene calicene  
2053 C6H5CCH phenylacetylene phac  
2054 C8H6 benzocyclobutadiene bcbd  
2055 C8H6 Pentalene pentalene  
2056 C6H5CHCH2 Styrene styrene  
2057 C8H8 cubane cubane  
2058 C8H8 cyclooctatetraene cot  
2059 C6H5CH2CH3 Ethylbenzene etbz  
2060 CH3C6H4CH3 meta-xylene mxylene  
2061 CH3C6H4CH3 paraxylene pxylene  
2062 C8H14 Bicyclo[2.2.2]octane bico222  
2063 C8H16 cyclooctane cyclooct  
2064 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2065 C8H18 Octane c8h18  
2066 C6H5CN phenyl cyanide phcn  
2067 C6H12N2 Triethylenediamine ted  
2068 C4O4-- squarate dianion c4o4--  
2069 S4N4 Tetrasulfur tetranitride s4n4  
2070 S8 Octasulfur s8  
2071 C6H4O2 parabenzoquinone pbq  
2072 C4H4N2O2 Uracil uracil  
2073 C6H5CHO benzaldehyde benzal  
2074 C6H5OCH3 Anisole anisole  
2075 C5H9NO2 Proline proline  
2076 C6H12O2 Methyl pivalate c598981  
2077 C6H12O2 Hexanoic acid hexa  
2078 C4F4 tetrafluorcyclobutadiene c4f4  
2079 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2080 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2081 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2082 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2083 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2084 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2085 C2F6 hexafluoroethane c2f6  
2086 C2Cl6 hexachloroethane c2cl6  
2087 IF7 Iodine heptafluoride if7  
2088 C6H4F2 metadifluorobenzene mdfb  
2089 C6H4F2 orthodifluorobenzene odfb  
2090 C6H4F2 1,4-difluorobenzene pdfb  
2091 C6H4Cl2 1,2-dichlorobenzene dcb12  
2092 C6H4Cl2 1,3-dichlorobenzene dcb13  
2093 C6H4Cl2 1,4-dichlorobenzene dcb14  
2094 C6H5NO nitrosobenzene bzno  
2095 C9H8 Indene indene  
2096 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2097 C9H12 n-propyl benzene prbz  
2098 C9H20 Nonane nonane  
2099 C(CN)4 tetracyanomethane c5n4  
2100 C5H4N4 purine purine  
2101 C8H7N Indole indole  
2102 C3H3N3O3 cyanuric acid cyanuric  
2103 C6H5NO2 Nitrobenzene c6h5no2  
2104 C6H5COOH benzoic acid benzo  
2105 CH3COC6H5 acetophenone acph  
2106 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2107 C3F6 hexafluoropropene c3f6  
2108 C6H3F3 Benzene trifluoride 123 bzf3a  
2109 C8H18O 1-Octanol octanol  
2110 C10H8 Azulene azu  
2111 C10H8 naphthalene naph  
2112 C10H10 bullvalene bullv  
2113 C10H16 adamantane adamantane  
2114 C6N4 Tetracyanoethylene tcne  
2115 C6N4- tetracyanoethylene anion tcne-  
2116 C10H22 Decane decane  
2117 C4F6 perfluorobutadiene c4f6  
2118 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2119 C3F8 perfluoropropane c3f8  
2120 Fe(CO)5 Iron pentacarbonyl ipc  
2121 Fe(C5H5)2 ferrocene fecp2  
2122 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2123 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2124 C12H8 Acenaphthylene acenaph  
2125 C12H8 biphenylene biph  
2126 C12H10 biphenyl biphenyl  
2127 C12H10 Heptalene heptalene  
2128 C6H12O6 Inositol inositol  
2129 C6F6 hexafluorobenzene c6f6  
2130 S2F10 disulphur decafluoride s2f10  
2131 C13H10 Fluorene fluorene  
2132 C14H10 Anthracene anth  
2133 C14H10 Phenanthrene phenanthrene  
2134 C14H14 Bibenzyl bibenzyl  
2135 C12H10N2 azobenzene azobenzene  
2136 C6H5COC6H5 benzophenone benzophenone  
2137 C16H10 Pyrene pyrene  
2138 C18H12 Tetracene tetracene  
2139 C19H16 Triphenylmethane tpm  
2140 C24H12 Coronene coronene  
2141 C60 Buckminsterfullerene c60