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

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

List of which calculations are completed at QCISD(T)=FULL /aug-cc-pVTZ-PP

Jump to calculations not yet done
count Species Name State Conformation
1 XeF2 Xenon difluoride   

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 si  
110 Si- Silicon atom anion si-  
111 Si+ Silicon atom cation si+  
112 Ti Titanium atom ti  
113 Ti- Titanium atom anion ti-  
114 Ti+ Titanium atom cation ti+  
115 Ge Germanium atom ge  
116 Ge- Germanium anion ge-  
117 Ge+ Germanium cation ge+  
118 Sn Tin atom sn  
119 Sn+ Tin cation sn+  
120 CH Methylidyne ch  
121 CH- methylidyne anion ch-  
122 CH+ Methylidyne cation ch+  
123 SiH Silylidyne sih  
124 SiH- silicon monohydride anion sih-  
125 SiH+ silicon monohydride cation sih+  
126 GeH germylidene geh  
127 GeH+ Germaniun monohyrdide cation geh+  
128 CH2 Methylene ch2  
129 CH2- methylene anion ch2-  
130 CH2+ methylene cation ch2+  
131 SiH2 silicon dihydride sih2  
132 SiH2- silicon dihydride anion sih2-  
133 SiH2+ silicon dihydride cation sih2+  
134 GeH2 germylene geh2  
135 GeH2- germylene anion geh2-  
136 CH3 Methyl radical ch3  
137 CH3- methyl anion ch3-  
138 CH3+ methyl cation ch3+  
139 SiH3 Silyl radical sih3  
140 SiH3- Silyl anion sih3-  
141 SiH3+ Silyl cation sih3+  
142 GeH3 Germyl radical geh3  
143 GeH3+ germyl cation geh3+  
144 CD4 methane-d4 cd4  
145 CH2D2 methane-d2 ch2d2  
146 CH3D methane-d ch3d  
147 CH4 Methane ch4  
148 CH4- Methane anion ch4-  
149 CH4+ Methane cation ch4+  
150 CHD3 methane-d3 chd3  
151 SiH2D2 silane-d2 sih2d2  
152 SiH4 Silane sih4  
153 SiH4+ Silane cation sih4+  
154 GeH4 Germane geh4  
155 SnH4 Stannane snh4  
156 SiH5+ Silane, protonated sih5+  
157 N Nitrogen atom n  
158 N- Nitrogen atom anion n-  
159 N+ Nitrogen atom cation n+  
160 P Phosphorus atom p  
161 P- Phosphorus atom anion p-  
162 P+ Phosphorus atom cation p+  
163 V Vanadium atom v  
164 V+ Vanadium atom cation v+  
165 As Arsenic atomic as  
166 As- Arsenic anion as-  
167 As+ Arsenic cation as+  
168 Sb Antimony atom sb  
169 NH Imidogen nh  
170 NH- Imidogen anion nh-  
171 NH+ imidogen cation nh+  
172 PH phosphorus monohydride ph  
173 PH- phosphorus monohydride anion ph-  
174 PH+ phosphorus monohydride cation ph+  
175 AsH Arsenic monohydride ash  
176 AsH+ Arsenic monohydride cation ash+  
177 SbH Antimony monohydride sbh  
178 ND2 Amidogen-d2 nd2  
179 NH2 Amino radical nh2  
180 NH2- amino anion nh2-  
181 NH2+ Amino cation nh2+  
182 PH2 Phosphino radical ph2  
183 PH2- Phosphino anion ph2-  
184 PH2+ Phosphino cation ph2+  
185 AsH2 Arsenic dihydride ash2  
186 AsH2+ Arsenic dihydride cation ash2+  
187 ND3 Ammonia-d3 nd3  
188 NH3 Ammonia nh3  
189 NH3- Ammonia anion nh3-  
190 NH3+ ammonia cation nh3+  
191 PH3 Phosphine ph3  
192 PH3+ Phosphine cation ph3+  
193 AsH3 Arsine ash3  
194 AsH3+ Arsine cation ash3+  
195 SbH3 Stibine sbh3  
196 AsH4+ Arsonium ash4+  
197 NH4 Ammonium radical nh4  
198 NH4+ ammonium cation nh4+  
199 PH4 Phosphoranyl radical ph4  
200 PH4+ phosphonium cation ph4+  
201 O Oxygen atom o  
202 O- Oxygen atom anion o-  
203 O+ Oxygen atom cation o+  
204 S Sulfur atom s  
205 S- Sulfur atom anion s-  
206 S+ Sulfur atom cation s+  
207 Cr Chromium atom cr  
208 Se Selenium atom se  
209 Se- Selenium atom anion se-  
210 Se+ Selenium atom cation se+  
211 Te Tellurium atom te  
212 Te+ Tellurium atom cation te+  
213 DO Hydroxyl-d od  
214 OH Hydroxyl radical oh  
215 OH- hydroxide anion oh-  
216 OH+ hydoxyl cation oh+  
217 DS Mercapto-d ds  
218 HS Mercapto radical hs  
219 HS- mercapto anion sh-  
220 HS+ sulfur monohydride cation sh+  
221 CrH Chromium hydride crh  
222 CrH+ Chromium hydride cation crh+  
223 HSe Selenium monohydride hse  
224 HSe- selenium monohydride anion hse-  
225 HSe+ selenium monohydride cation hse+  
226 TeH Telluryl radical teh  
227 D2O Deuterium oxide d2o  
228 H2O Water h2o  
229 H2O- water anion h2o-  
230 H2O+ water cation h2o+  
231 HDO Water-d1 hdo  
232 D2S Hydrogen sulfide-d2 d2s  
233 H2S Hydrogen sulfide h2s  
234 H2S- Hydrogen sulfide anion h2s-  
235 H2S+ Hydrogen sulfide cation h2s+  
236 H2Se Hydrogen selenide h2se  
237 H2Se+ Hydrogen selenide cation h2se+  
238 H2Te Hydrogen Telluride h2te  
239 H3O+ hydronium cation h3o+  
240 H3S+ Sulfonium cation h3s+  
241 H3Se+ Hydrogen Selenide, protonated h3se+  
242 F Fluorine atom f  
243 F- Fluorine atom anion f-  
244 F+ Fluorine atom cation f+  
245 Cl Chlorine atom cl  
246 Cl- Chlorine atom anion cl-  
247 Cl+ Chlorine atom cation cl+  
248 Mn Manganese atom mn  
249 Br Bromine atom br  
250 Br- Bromine atom anion br-  
251 Br+ Bromine atom cation br+  
252 I Iodine atom iodine  
253 I- Iodine atom anion iodine-  
254 I+ Iodine atom cation iodine+  
255 DF Hydrofluoric acid-d df  
256 HF Hydrogen fluoride hf  
257 HF- hydrogen fluoride anion hf-  
258 HF+ hydrogen fluoride cation hf+  
259 DCl Hydrochloric acid-d dcl  
260 HCl Hydrogen chloride hcl  
261 HCl- hydrogen chloride anion hcl-  
262 HCl+ hydrogen chloride cation hcl+  
263 HBr hydrogen bromide hbr  
264 HBr- hydrogen bromide anion hbr-  
265 HBr+ hydrogen bromide cation hbr+  
266 HI Hydrogen iodide hi  
267 HI+ Hydrogen iodide cation hi+  
268 H2F+ dihydrogen fluoride cation h2f+  
269 H2Cl+ dihydrogen monochloride cation h2cl+  
270 H2Br+ protonated hydrogen bromide h2br+  
271 H2I+ Iodonium h2i+  
272 Ne Neon atom ne  
273 Ne- Neon atom anion ne-  
274 Ne+ Neon atom cation ne+  
275 Ar Argon atom ar  
276 Ar- Argon atom anion ar-  
277 Ar+ Argon atom cation ar+  
278 Fe Iron atom fe  
279 Kr Krypton atom kr  
280 Kr+ Krypton cation kr+  
281 Xe Xenon atom xe  
282 HeLi+ Helium Lithium cation heli+  
283 NeH neon hydrogen neh  
284 NeH+ neon hydrogen cation neh+  
285 ArH+ Argon hydride cation arh+  
286 KrH+ Protonated Krypton krh+  
287 XeH+ Xenon, protonated xeh+  
288 H2Ar H2 Ar dimer h2ar  
289 Co Cobalt atom cobalt  
290 Ni Nickel atom ni  
291 Li2 Lithium diatomic li2  
292 Li2- lithium diatomic anion li2-  
293 Li2+ lithium diatomic cation li2+  
294 NaLi lithium sodium lina  
295 NaLi- lithium sodium anion lina-  
296 NaLi+ lithium sodium cation lina+  
297 LiK Lithium Potassium lik  
298 Na2 Sodium diatomic na2  
299 Na2- sodium diatomic anion na2-  
300 Na2+ sodium diatomic cation na2+  
301 NaK Sodium Potassium nak  
302 NaK+ Sodium Potassium diatomic cation nak+  
303 K2 Potassium diatomic k2  
304 Cu2 Copper diatomic cu2  
305 LiBe Lithium Beryllium libe  
306 LiMg Lithium magnesium limg  
307 NaBe Sodium Beryllium nabe  
308 NaMg Sodium Magnesium namg  
309 Be2 Beryllium diatomic be2  
310 Be2- Beryllium diatomic anion be2-  
311 Be2+ Beryllium diatomic cation be2+  
312 BeMg Beryllium Magnesium bemg  
313 Mg2 Magnesium diatomic mg2  
314 Mg2- magnesium diatomic anion mg2-  
315 Mg2+ magnesium diatomic cation mg2+  
316 Ca2 Calcium diatomic ca2  
317 LiB Lithium boride lib  
318 LiAl Lithium Aluminum lial  
319 NaAl Sodium aluminum naal  
320 BeB Beryllium monoboride beb  
321 B2 Boron diatomic b2  
322 B2- Boron diatomic anion b2-  
323 B2+ Boron diatomic cation b2+  
324 BAl Boron Aluminum bal  
325 Al2 Aluminum diatomic al2  
326 Al2- aluminum diatomic anion al2-  
327 Al2+ aluminum diatomic cation al2+  
328 BGa Boron Gallium bga  
329 AlGa Aluminum Gallium alga  
330 Ga2 Gallium diatomic ga2  
331 HBBH Diborane(2) hbbh  
332 LiBH4 Lithium borohydride libh4  
333 B2H4 Diborane(4) D2d b2h4  
334 HBHHBH Diborane(4) C2V hbhhbh  
335 B2H6 Diborane b2h6  
336 B2H6+ Diborane cation b2h6  
337 Al2H6 dialane al2h6  
338 Ga2H6 digallane ga2h6  
339 LiC Lithium Carbide lic  
340 BeC Beryllium Carbide bec  
341 CaC Calcium monocarbide cac  
342 BC boron monocarbide bc  
343 BC- boron monocarbide anion bc-  
344 BC+ boron monocarbide cation bc+  
345 AlC Aluminum carbide alc  
346 BSi Boron silicide bsi  
347 C2 Carbon diatomic c2  
348 C2- carbon diatomic anion c2-  
349 C2+ carbon diatomic cation c2+  
350 SiC silicon monocarbide sic  
351 SiC- silicon monocarbide anion sic-  
352 SiC+ silicon monocarbide cation sic+  
353 Si2 Silicon diatomic si2  
354 Si2- silcon diatomic anion si2-  
355 Si2+ silcon diatomic cation si2+  
356 GeC Germanium monocarbide gec  
357 SiGe Silicon Germanium sige  
358 Ge2 Germanium diatomic ge2  
359 C2H Ethynyl radical c2h  
360 C2H- Ethynyl anion c2h-  
361 C2H+ Ethynyl cation c2h+  
362 ZnCH2 Zinc methylene znch2  
363 C2H2 Acetylene c2h2  
364 C2H2+ acetylene cation c2h2+  
365 CCH2 vinylidene vinylidene  
366 H2CC- vinylidene anion h2cc-  
367 HCCH- acetylene anion c2h2-  
368 Si2H2 disilyne si2h2  
369 CH3Li methyl lithium ch3li  
370 CuCH3 monomethyl copper cuch3  
371 ZnCH3 Zinc monomethyl znch3  
372 CH2BH methyleneborane ch2bh  
373 C2H3 vinyl c2h3  
374 C2H3- vinyl anion c2h3-  
375 C2H3+ vinyl cation c2h3+  
376 C2H4 Ethylene c2h4  
377 C2H4- Ethylene anion c2h4-  
378 C2H4+ Ethylene cation c2h4+  
379 CH3CH methylmethylene ch3ch  
380 CH2SiH2 silaethylene ch2sih2  
381 Si2H4 Disilene si2h4  
382 CH3BH2 methylborane ch3bh2  
383 C2H5 Ethyl radical c2h5  
384 C2H5- Ethyl anion c2h5-  
385 C2H5+ Ethyl cation c2h5+  
386 C2H6 Ethane c2h6  
387 C2H6+ ethane cation c2h6+  
388 CH3SiH3 methyl silane ch3sih3  
389 Si2H6 disilane si2h6  
390 GeH3CH3 methyl germane geh3ch3  
391 C2H7+ Ethane, protonated c2h7+  
392 LiN Lithium Nitride lin  
393 LiN+ Lithium Nitride cation lin+  
394 LiP Lithium monophosphide lip  
395 BeN Beryllium mononitride ben  
396 BeN- Beryllium mononitride anion ben-  
397 BeN+ Beryllium mononitride cation ben+  
398 MgN Magnesium Nitride mgn  
399 BN- boron nitride anion bn-  
400 AlN- aluminum mononitride anion aln-  
401 AlN+ aluminum mononitride cation aln+  
402 BP Boron monophosphide bp  
403 AlP Aluminum monophosphide alp  
404 GaN Gallium mononitride gan  
405 GaP Gallium monophosphide gap  
406 GaAs Gallium arsenide gaas  
407 BN boron nitride bn  
408 BN+ boron nitride cation bn+  
409 AlN Aluminum nitride aln  
410 CN Cyano radical cn  
411 CN- cyanide anion cn-  
412 CN+ Cyano cation cn+  
413 CP Carbon monophosphide cp  
414 CP- carbon monophosphide anion cp-  
415 CP+ carbon monophosphide cation cp+  
416 SiN Silicon nitride sin  
417 SiN- silicon mononitride anion sin-  
418 SiN+ silicon mononitride cation sin+  
419 SiP Silicon monophosphide sip  
420 SiP- Silicon monophosphide anion sip-  
421 SiP+ Silicon monophosphide cation sip+  
422 TiN Titanium mononitride tin  
423 N2 Nitrogen diatomic n2  
424 N2- nitrogen diatomic anion n2-  
425 N2+ diatomic nitrogen cation n2+  
426 PN Phosphorus mononitride pn  
427 PN- phosphorus nitride anion pn-  
428 PN+ phosphorus nitride cation pn+  
429 P2 Phosphorus diatomic p2  
430 P2- phosphorus diatomic anion p2-  
431 P2+ phosphorus diatomic cation p2+  
432 AsN Arsenic mononitride asn  
433 AsP Arsenic monophosphide asp  
434 SbN Antimony nitride sbn  
435 As2 Arsenic diatomic as2  
436 HNB hydrogen nitrogen boron hnb  
437 HNC hydrogen isocyanide hnc  
438 HCN Hydrogen cyanide hcn  
439 HCN- Hydrogen cyanide anion hcn-  
440 HCN+ hydrogen cyanide cation hcn+  
441 HNC+ hydrogen isocyanide cation hnc+  
442 HCP Phosphaethyne hcp  
443 HCP+ Phosphaethyne cation hcp+  
444 NNH Dinitrogen monohydride nnh  
445 NNH+ Dinitrogen monohydride cation nnh+  
446 HPO Hydrogen phosphorus oxide hpo  
447 HPO+ Hydrogen phosphorus oxide cation hpo+  
448 LiNH2 lithium amide linh2  
449 HBNH Boranimine hbnh  
450 CNH2 Aminomethylidyne radical cnh2  
451 CNH2+ N-protonated hydrogen isocyanide cnh2+  
452 H2CN Dihydrogen cyanide radical h2cn  
453 H2CN+ hydrocyanonium cation h2cn+  
454 HCNH methyleneazane hcnh  
455 HCNH+ N-protonated HCN hcnh+  
456 H2NN Isodiazene h2nn  
457 N2H2 (E)-diazene n2h2  
458 N2H2 (Z)-Diazene n2h2z  
459 N2H2+ trans-diazene cation n2h2+  
460 CH2NH Methanimine ch3n  
461 CH2NH+ Methanimine cation ch2nh+  
462 CHNH2 aminomethylene chnh2  
463 CHNH2+ Aminocarbene cation chnh2+  
464 CH2PH Phosphaethene ch3p  
465 BH2NH2 Boranamine bh2nh2  
466 CH2NH2+ methyleneamine cation ch2nh2+  
467 N2H4 Hydrazine n2h4  
468 N2H4+ hydrazine cation n2h4+  
469 P2H4 Diphosphine p2h4  
470 CH3NH2 methyl amine ch3nh2  
471 CH3NH2+ methyl amine cation ch3nh2+  
472 CH3PH2 Methyl phosphine ch3ph2  
473 SiH3NH2 Silane, amino sih3nh2  
474 N2H5+ protonated hydrazine n2h5+  
475 BH3PH3 borane phosphine bh3ph3  
476 BH3NH3 borane ammonia bh3nh3  
477 CH3NH3 methyl ammonium radical ch3nh3  
478 CH3NH3+ protonated methylamine ch3nh3+  
479 CH3PH3+ methyl phosphine, protonated ch3ph3+  
480 NH3NH3 Ammonia Dimer nh3nh3  
481 N2H7+ ammonia ammonium dimer n2h7+  
482 LiO lithium oxide lio  
483 LiO- lithium oxide anion lio-  
484 LiO+ lithium oxide cation lio+  
485 LiS Lithium monosulfide lis  
486 LiS+ Lithium sulfide cation lis+  
487 NaO sodium monoxide nao  
488 NaO- sodium oxide anion nao-  
489 NaO+ sodium oxide cation nao+  
490 KO Potassium monoxide ko  
491 KO+ Potassium monoxide cation ko+  
492 NaS Sodium sulfide nas  
493 CuO Copper Monoxide cuo  
494 LiSe Lithium monoselenide lise  
495 BeO beryllium oxide beo  
496 BeO- Beryllium monoxide anion beo-  
497 BeO+ Beryllium monoxide cation beo+  
498 BeS beryllium sulfide bes  
499 MgO magnesium oxide mgo  
500 MgO- magnesium oxide anion mgo-  
501 MgO+ magnesium oxide cation mgo+  
502 CaO Calcium monoxide cao  
503 MgS magnesium sulfide mgs  
504 MgS- magnesium sulfide anion mgs-  
505 MgS+ magnesium sulfide cation mgs+  
506 CaS Calcium sulfide cas  
507 ZnO zinc monoxide zno  
508 ZnS Zinc sulfide zns  
509 BeS- Beryllium monosulfide anion bes-  
510 BeS+ Beryllium monosulfide cation bes+  
511 BO boron monoxide bo  
512 BO- boron monoxide anion bo-  
513 AlO Aluminum monoxide alo  
514 AlO- Aluminum monoxide anion alo-  
515 AlO+ aluminum monoxide cation alo+  
516 BS boron sulfide bs  
517 BS- boron monosulfide anion bs-  
518 BS+ boron monosulfide cation bs+  
519 AlS Aluminum sulfide als  
520 AlS- aluminum monosulfide anion als-  
521 AlS+ aluminum monosulfide cation als+  
522 ScO Scandium monoxide sco  
523 GaO Gallium monoxide gao  
524 GaS Gallium monosulfide gas  
525 BO+ boron monoxide cation bo+  
526 CO Carbon monoxide co  
527 CO- carbon monoxide anion co-  
528 CO+ carbon monoxide cation co+  
529 CS carbon monosulfide cs  
530 CS- carbon monosulfide anion cs-  
531 CS+ carbon monosulfide cation cs+  
532 SiO Silicon monoxide sio  
533 SiO- silicon monoxide anion sio-  
534 SiO+ silicon monoxide cation sio+  
535 SiS silicon monosulfide sis  
536 SiS- silicon monosulfide anion sis-  
537 SiS+ silicon monosulfide cation sis+  
538 TiO Titanium monoxide tio  
539 CSe Carbon monoselenide cse  
540 CSe- Carbon monoselenide anion cse-  
541 CSe+ Carbon monoselenide cation cse+  
542 GeO Germanium monoxide geo  
543 GeO+ Germanium monoxide cation geo+  
544 GeS Germanium monosulfide ges  
545 SiSe Silicon Monoselenide sise  
546 SiSe+ Silicon Monoselenide cation sise+  
547 GeSe Germanium monoselenide gese  
548 NO Nitric oxide no  
549 NO- nitric oxide anion no-  
550 NO+ nitric oxide cation no+  
551 NS Mononitrogen monosulfide ns  
552 NS- nitrogen sulfide anion ns-  
553 NS+ nitrogen sulfide cation ns+  
554 PO Phosphorus monoxide po  
555 PO- phosphorus monoxide anion po-  
556 PO+ phosphorus monoxide cation po+  
557 PS phosphorus sulfide ps  
558 PS- phosphorus monosulfide anion ps-  
559 PS+ phosphorus monosulfide cation ps+  
560 VO Vanadium monoxide vo  
561 AsO Arsenic monoxide aso  
562 NSe Nitrogen monoselenide nse  
563 AsS Arsenic monosulfide ass  
564 PSe Phosphorus monoselenide pse  
565 AsSe Arsenic monoselenide asse  
566 O2 Oxygen diatomic o2  
567 O2- oxygen diatomic anion o2-  
568 O2-- dioxygen dianion o2--  
569 O2+ diatomic oxygen cation o2+  
570 SO Sulfur monoxide so  
571 SO- sulfur monoxide anion so-  
572 SO+ sulfur monoxide cation so+  
573 S2 Sulfur diatomic s2  
574 S2- sulfur diatomic anion s2-  
575 S2+ sulfur diatomic cation s2+  
576 SeO Selenium monoxide seo  
577 SeO- selenium monoxide anion seo-  
578 SeO+ selenium monoxide cation seo+  
579 SeS Selenium monosulfide ses  
580 SeS- selenium monosulfide anion ses-  
581 SeS+ selenium monosulfide cation ses+  
582 TeO Tellurium monoxide teo  
583 Se2 Selenium diatomic se2  
584 Se2- selenium diatomic anion se2-  
585 Se2+ selenium diatomic cation se2+  
586 Te2 Tellurium diatomic te2  
587 LiOH lithium hydroxide lioh  
588 NaOH sodium hydroxide naoh  
589 KOH Potassium hydroxide koh  
590 BeOH beryllium monohydroxide beoh  
591 MgOH magnesium hydroxide mgoh  
592 CaOH Calcium monohydroxide caoh  
593 HBO Boron hydride oxide hbo  
594 HBS hydrogen boron sulfide hbs  
595 COH Hydroxymethylidyne coh  
596 COH+ Carbon Monoxide, protonated coh+  
597 HCO Formyl radical hco  
598 HCO- formyl anion hco-  
599 HCO+ Formyl cation hco+  
600 HCS Thioformyl radical hcs  
601 HCS- Thioformyl anion hcs-  
602 HCS+ Thioformyl cation hcs+  
603 HNO Nitrosyl hydride hno  
604 HNO- Nitrosyl hydride anion hno-  
605 HNO+ Nitrosyl hydride cation hno+  
606 NOH Hydroxyimidogen noh  
607 NOH+ O-protonated nitric oxide noh+  
608 HNS Sulfur imide hns  
609 HNS- Sulfur imide anion hns-  
610 HO2 Hydroperoxy radical ho2  
611 HO2- Hydroperoxy anion ho2-  
612 HO2+ Hydroperoxy cation ho2+  
613 HSO+ Sulfur Monoxide, S-protonated HSO+  
614 SOH Sulfur Hydroxide soh  
615 SOH+ Sulfur Monoxide, protonated soh+  
616 HS2 Thiosulfeno radical hs2  
617 H2CO Formaldehyde h2co  
618 H2CO- formaldehyde anion h2co-  
619 H2CO+ formaldehyde cation h2co+  
620 HOCH hydroxycarbene hoch  
621 H2CS Thioformaldehyde h2cs  
622 H2CS- thioformaldehyde anion h2cs-  
623 H2CS+ thioformaldehyde cation h2cs+  
624 H2CSe Selenoformaldehyde h2cse  
625 H2NO nitroxide h2no  
626 H2O2 Hydrogen peroxide h2o2  
627 H2O2+ Hydrogen peroxide cation h2o2+  
628 H2OO water oxide h2oo  
629 HOSH hydrogen thioperoxide hosh  
630 H2S2 Disulfane h2s2  
631 H2S2+ hydrogen disulfide cation h2s2+  
632 H2Se2 hydrogen diselenide h2se2  
633 CH2OH Hydroxymethyl radical ch2oh  
634 CH2OH+ hydroxymethyl cation ch2oh+  
635 CH3O Methoxy radical ch3o  
636 CH3O- methoxy anion ch3o-  
637 CH3O+ Methoxy cation ch3o+  
638 CH3S thiomethoxy ch3s  
639 H2CSH+ Thioformaldehyde, protonated h2csh+  
640 NH2OH hydroxylamine nh2oh  
641 NH2OH+ Hydroxylamine cation nh2oh+  
642 NH3O Ammonia Oxide nh3o  
643 H2POH Phosphinous acid h2poh  
644 H3PO Phosphine oxide h3po  
645 NH2SH Thiohydroxylamine nh2sh  
646 NH3S sulfidoazane nh3s  
647 H3O2+ hydrogen peroxide, protonated h3o2+  
648 CH3OH Methyl alcohol ch3oh  
649 CH3OH- Methyl alcohol anion ch3oh-  
650 CH3OH+ Methyl alcohol cation ch3oh+  
651 CH3SH Methanethiol ch3sh  
652 CH3SH+ Methanethiol cation ch3sh+  
653 SiH3OH silanol sih3oh  
654 CH3SeH Methane selenol ch3seh  
655 NH2OH2+ protonated hydroxylamine nh2oh2+  
656 NH3OH+ N-protonated hydroxylamine nh3oh+  
657 H2OH2O water dimer h2oh2o  
658 CH3OH2+ Methanol, protonated ch3oh2+  
659 CH3SH2+ protonated methylsulfide ch3sh2+  
660 H2ONH3 Water Ammonia Dimer h2onh3  
661 H5O2+ Dihydroxonium ion h5o2+  
662 LiF lithium fluoride lif  
663 LiCl lithium chloride licl  
664 LiCl- lithium chloride anion licl-  
665 LiCl+ lithium chloride cation licl+  
666 NaF sodium fluoride naf  
667 NaF- sodium fluoride anion naf-  
668 NaF+ sodium fluoride cation naf+  
669 KF Potassium Fluoride kf  
670 NaCl Sodium Chloride nacl  
671 NaCl- sodium chloride anion nacl-  
672 NaCl+ sodium chloride cation nacl+  
673 KCl Potassium Chloride kcl  
674 CuF Copper monofluoride cuf  
675 LiBr Lithium Bromide libr  
676 LiBr- lithium bromide anion libr-  
677 LiBr+ lithium bromide cation libr+  
678 CuCl Copper monochloride cucl  
679 NaBr Sodium Bromide nabr  
680 NaBr- sodium bromide anion nabr-  
681 NaBr+ sodium bromide cation nabr+  
682 KBr Potassium Bromide kbr  
683 LiI Lithium Iodide lii  
684 NaI Sodium Iodide nai  
685 KI Potassium Iodide ki  
686 LiF- lithium fluoride anion lif-  
687 LiF+ lithium fluoride cation lif+  
688 BeF Beryllium monofluoride bef  
689 BeF- Beryllium monofluoride anion bef-  
690 BeF+ Beryllium monofluoride cation bef+  
691 BeCl beryllium monochloride becl  
692 MgF Magnesium monofluoride mgf  
693 MgF- magnesium fluoride anion mgf-  
694 MgF+ magnesium fluoride cation mgf+  
695 CaF Calcium monofluoride caf  
696 MgCl magnesium monochloride mgcl  
697 MgCl- magnesium monochloride anion mgcl-  
698 MgCl+ magnesium monochloride cation mgcl+  
699 CaCl calcium monochloride cacl  
700 TiCl Titanium Monochloride ticl  
701 ZnF Zinc monofluoride znf  
702 ZnF- Zinc monofluoride anion znf-  
703 ZnF+ Zinc monofluoride cation znf+  
704 ZnCl Zinc monochloride zncl  
705 CaBr Calcium monobromide cabr  
706 BeCl- beryllium monochloride anion becl-  
707 BeCl+ beryllium monochloride cation becl+  
708 BF Boron monofluoride bf  
709 BF- Boron monofluoride anion bf-  
710 BF+ Boron monofluoride cation bf+  
711 AlF Aluminum monofluoride alf  
712 AlF- Aluminum monofluoride anion alf-  
713 AlF+ Aluminum monofluoride cation alf+  
714 BCl boron monochloride bcl  
715 BCl- boron monochloride anion bcl-  
716 BCl+ boron monochloride cation bcl+  
717 AlCl Aluminum monochloride alcl  
718 AlCl- aluminum monochloride anion alcl-  
719 AlCl+ aluminum monochloride cation alcl+  
720 ScF Scandium monofluoride scf  
721 BBr Boron monobromide bbr  
722 GaF Gallium monofluoride gaf  
723 GaF+ Gallium monofluoride cation gaf+  
724 AlBr Aluminum monobromide albr  
725 GaCl Gallium monochloride gacl  
726 GaCl+ Gallium monochloride cation gacl+  
727 AlI Aluminum monoiodide ali  
728 GaBr Gallium monobromide gabr  
729 CF Fluoromethylidyne cf  
730 CF- carbon monofluoride anion cf-  
731 CF+ carbon monofluoride cation cf+  
732 CCl carbon monochloride ccl  
733 CCl- carbon monochloride anion ccl-  
734 CCl+ carbon monochloride cation ccl+  
735 SiF silicon monofluoride sif  
736 SiF- silicon monofluoride anion sif-  
737 SiF+ silicon monofluoride cation sif+  
738 SiCl Clorosilylidyne sicl  
739 SiCl- silicon monochloride anion sicl-  
740 SiCl+ silicon monochloride cation sicl+  
741 CBr Carbon monobromide cbr  
742 GeF Germanium monofluoride gef  
743 GeF+ Germanium monofluoride cation gef+  
744 GeCl Germanium monochloride gecl  
745 GeCl+ Germanium monochloride cation gecl+  
746 SiBr Silicon monobromide sibr  
747 SiBr+ Silicon monobromide cation sibr+  
748 NF nitrogen fluoride nf  
749 NF- nitrogen monofluorine anion nf-  
750 NF+ nitrogen monofluoirde cation nf+  
751 NCl nitrogen monochloride ncl  
752 NCl- nitrogen monochloride anion ncl-  
753 NCl+ nitrogen monochloride cation ncl+  
754 PF phosphorus monofluoride pf  
755 PF- phosphorus monofluoride anion pf-  
756 PF+ phosphorus monofluoride cation pf+  
757 PCl phosphorus chloride pcl  
758 PCl- phosphorus monochloride anion pcl-  
759 PCl+ phosphorus monochloride cation pcl+  
760 AsF Arsenic monofluoride asf  
761 NBr nitrogen monobromide nbr  
762 AsCl Arsenic monochloride ascl  
763 PBr Phosphorus monobromide pbr  
764 SbF Antimony monofluoride sbf  
765 SbCl Antimony monochloride sbcl  
766 FO Oxygen monofluoride fo  
767 FO- flourine oxide anion fo-  
768 FO+ fluorine monoxide cation fo+  
769 ClO Monochlorine monoxide clo  
770 ClO- chlorine monoxide anion clo-  
771 ClO+ chlorine monoxide cation clo+  
772 SF Monosulfur monofluoride sf  
773 SF- sulfur monofluoride anion sf-  
774 SF+ sulfur monofluoride cation sf+  
775 SCl sulfur monochloride scl  
776 SCl- sulfur monochloride anion scl-  
777 SCl+ sulfur monochloride cation scl+  
778 BrO Bromine monoxide bro  
779 BrO- Bromine monoxide anion bro-  
780 BrO+ Bromine monoxide cation bro+  
781 SeF Selenium monofluoride sef  
782 SBr Sulfur monobromide radical sbr  
783 SBr+ Sulfur monobromide cation sbr+  
784 SeCl Selenium monochloride secl  
785 IO Iodine monoxide io  
786 SeBr Selenium monobromide sebr  
787 BrCl Bromine monochloride brcl  
788 F2 Fluorine diatomic f2  
789 F2- flourine diatomic anion f2-  
790 F2+ flourine diatomic cation f2+  
791 ClF Chlorine monofluoride clf  
792 ClF- clorine monofluoride anion clf-  
793 ClF+ clorine monofluoride cation clf+  
794 Cl2 Chlorine diatomic cl2  
795 Cl2- chlorine diatomic anion cl2-  
796 Cl2+ chlorine diatomic cation cl2+  
797 BrF Bromine monofluoride brf  
798 BrF- bromine fluoride anion brf-  
799 BrF+ bromine fluoride cation brf+  
800 BrCl- bromine chloride anion brcl-  
801 BrCl+ bromine chloride cation brcl+  
802 IF Iodine monofluoride if  
803 Br2 Bromine diatomic br2  
804 Br2- bromine diatomic anion br2-  
805 Br2+ bromine diatomic cation br2+  
806 ICl Iodine monochloride icl  
807 IBr Iodine monobromide ibr  
808 I2 Iodine diatomic i2  
809 I2+ Iodine diatomic cation i2+  
810 HCF Fluoromethylene hcf  
811 HCCl Chloromethylene hccl  
812 HSiF fluorosilylene hsif  
813 HSiCl Chlorosilylene hsicl  
814 HSiBr monobromosilylene hsibr  
815 CHBr bromomethylene chbr  
816 HOF Hypofluorous acid hfo  
817 DOCl Hypochlorous acid-d docl  
818 HOCl hypochlorous acid hocl  
819 HOCl+ hypochlorous acid cation hocl+  
820 HOBr Hypobromous acid hobr  
821 HOBr+ Hypobromous acid cation hobr+  
822 HOI Hypoiodous acid hoi  
823 F2H+ Fluorine, protonated f2h+  
824 FHF Hydrogen difluoride fhf  
825 FHF- Hydrogen difluoride anion fhf-  
826 ClFH+ Chlorine fluoride, F-protonated clfh+  
827 FClH+ Chlorine fluoride, Cl-protonated fclh+  
828 Cl2H+ Chlorine, protonated cl2h+  
829 CH2Br bromomethyl radical ch2br  
830 CH2F fluoromethyl radical ch2f  
831 CH2F+ fluoromethyl cation ch2f+  
832 CH2Cl+ chloromethyl cation ch2cl+  
833 CH2Cl chloromethyl radical ch2cl  
834 NH2F monofluoroamine nh2f  
835 NH2Cl chloramine nh2cl  
836 H2F2 Hydrogen fluoride dimer h2f2  
837 CH3F+ methyl fluoride cation ch3f+  
838 CD3F methylfluoride-d3 cd3f  
839 CH3F Methyl fluoride ch3f  
840 CD3Cl methyl chloride d3 cd3cl  
841 CH3Cl Methyl chloride ch3cl  
842 CH3Cl+ Methyl chloride cation ch3cl+  
843 SiH3F monofluorosilane sih3f  
844 SiH3Cl chlorosilane sih3cl  
845 CH3Br methyl bromide ch3br  
846 GeH3F monofluorogermane geh3f  
847 GeH3Cl monochlorogermane geh3cl  
848 SiH3Br bromosilane sih3br  
849 CH3I methyl iodide ch3i  
850 SiH3I Silyl Iodide sih3i  
851 NH3Cl+ protonated monochloroammonia nh3cl+  
852 CH3ClH+ methyl chloride, protonated ch3clh+  
853 NH4Cl Ammonium chloride nh4cl  
854 LiNe+ Lithium Neon cation line+  
855 Ne2 Neon diatomic ne2  
856 Ne2+ Neon diatomic cation ne2+  
857 Ar2 Argon diatomic ar2  
858 Ar2+ Argon diatomic cation ar2+  
859 Li3 Lithium trimer li3  
860 Li3+ Lithium trimer cation li3+  
861 C3 carbon trimer c3  
862 C3+ carbon trimer cation c3+  
863 SiC2 Silicon dicarbide sic2  
864 C3H3 cyclopropenyl radical cpr  
865 C3H3 Propargyl radical propargyl  
866 C3H3- Propargyl anion c3h3-  
867 C3H3+ cyclopropenyl cation cpr+  
868 C3H3+ Propargyl cation c3h3+  
869 C3H4 cyclopropene cprop  
870 CH2CCH2 allene allene  
871 CH3CCH propyne propyne  
872 C3H5 Allyl radical allyl  
873 C3H5+ Allyl cation allyl+  
874 CH3CHCH 1-propenyl radical ch3chch  
875 Zn(CH3)2 dimethyl zinc dmz  
876 C3H6 Cyclopropane c3h6  
877 CH2CHCH3 Propene propene  
878 C3H7 n-Propyl radical npropyl  
879 C3H7+ cyclopropane, protonated c3h7+  
880 CH3CHCH3 Isopropyl radical isopropyl  
881 CH3CHCH3+ Isopropyl cation prop2yl+  
882 C3H8 Propane propane  
883 SiH2(CH3)2 dimethylsilane dms  
884 Si3H8 trisilane si3h8  
885 LiCN lithium cyanide licn  
886 NaCN Sodium Cyanide nacn  
887 KCN Potassium cyanide kcn  
888 CuCN Copper cyanide cucn  
889 ZnCN Zinc monocyanide zncn  
890 ZnNC Zinc isocyanide znnc  
891 AlCN Aluminum monocyanide alcn  
892 AlNC Aluminum isocyanide alnc  
893 CN2 3H-Diazirin-3-ylidene cn2  
894 CNN Diazocarbene cnn  
895 NCN Cyanoimidogen ncn  
896 N3 azide radical n3  
897 N3- azide anion n3-  
898 N3+ azide cation n3+  
899 HCCN cyanomethylene hccn  
900 HCNN diazomethyl radical hcnn  
901 HN3 hydrogen azide hn3  
902 HN3+ Hydrazoic acid cation hn3+  
903 HNCNH diiminomethane hncnh  
904 CH2N2 diazirine ch2n2  
905 CH2NN diazomethane ch2nn  
906 NH2CN cyanamide cyanamide  
907 HNNNH+ 1,2-Triazadienium n2h3+  
908 NH2NN+ hydrazoic acid, protonated nh2nn+  
909 CH3CN Acetonitrile ch3cn  
910 CH3CN- acetonitrile anion ch3cn-  
911 CH3CN+ Acetonitrile cation ch3cn+  
912 CH3NC methyl isocyanide ch3nc  
913 CHNCH2 2H-Azirine c157164  
914 CHNHCH 1H-Azirine chnhch  
915 H2CCNH Ethenimine ch2cnh  
916 H2CNCH methyleneaminomethylene ch2nch  
917 HCCNH2 Ethynamine hccnh2  
918 HCNCH2+ 2H-Azirine cation hcnch2+  
919 HNCNH2+ diiminomethane, protonated hncnh2+  
920 NCNH3+ Cyanamide, protonated ncnh3+  
921 NH2CNH+ cyanamide, cn protonated nh2cnh+  
922 NH3CN+ cyanamide, amine protonated nh3cn+  
923 CH2CHNH vinylazine ch2chnh  
924 CH3CHN methylmethaniminyl radical ch3chn  
925 NHCHNH2 aminomethanimine cn2h4  
926 C2H5N Aziridine c2h5n  
927 CH2CHNH2 aminoethene aminoethene  
928 CH2NCH3 N-methylmethanimine nmm  
929 CH3CHNH ethanimine ethanimine  
930 NH2BHNH2 diaminoborane nh2bhnh2  
931 C2H5NH+ Protonated Aziridine c2h5nh+  
932 C2H6N+ aziridine, protonated c2h6n+  
933 NH2CH2NH2 diaminomethane nh2ch2nh2  
934 CH3CH2NH2 Ethylamine etam  
935 CH3NHCH3 Dimethylamine ch3nhch3  
936 CH3PHCH3 dimethylphosphine ch3phch3  
937 NH2CH2NH3+ diaminoethane, protonated pdam  
938 (CH3)2NH2+ dimethylammonium cation dmam  
939 CH3CH2NH3+ ethylamine, protonated pea  
940 Li2O dilithium oxide li2o  
941 Li2O+ dilithium oxide cation li2o+  
942 Li2S dilithium sulfide li2s  
943 Na2O disodium monoxide na2o  
944 Na2S Sodium sulfide na2s  
945 LiO2 Lithium dioxide lio2  
946 NaO2 Sodium superoxide nao2  
947 CCO Dicarbon monoxide cco  
948 CNO- fulminate cno-  
949 NCO isocyanato radical nco  
950 NCO- cyanate nco-  
951 SCN thiocyanato radical scn  
952 SCN- thiocyanide anion scn-  
953 BO2 Boron dioxide bo2  
954 BO2- Boron dioxide anion bo2-  
955 BO2+ Boron dioxide cation bo2+  
956 N2O Nitrous oxide n2o  
957 N2O- Nitrous oxide anion n2o-  
958 N2O+ Nitrous oxide cation n2o+  
959 NNS Nitrogen sulfide nns  
960 PPO Phosphorus oxide phosphide ppo  
961 CO2 Carbon dioxide co2  
962 CO2- Carbon dioxide anion co2-  
963 CO2+ Carbon dioxide cation co2+  
964 OCS Carbonyl sulfide cos  
965 OCS+ Carbonyl sulfide cation cos+  
966 SiO2 silicon dioxide sio2  
967 CS2 Carbon disulfide cs2  
968 CS2- Carbon disulfide anion cs2-  
969 CS2+ Carbon disulfide cation cs2+  
970 TiO2 Titanium dioxide tio2  
971 SiS2 Silicon disulfide sis2  
972 GeO2 Germanium dioxide geo2  
973 OCSe Carbonyl selenide ocse  
974 SCSe Carbon sulfide selenide scse  
975 GeS2 Germanium disulfide ges2  
976 CSe2 Carbon diselenide cse2  
977 SCTe Carbon sulfide Telluride scte  
978 NO2 Nitrogen dioxide no2  
979 NO2- Nitrogen dioxide anion no2-  
980 NO2+ Nitrogen dioxide cation no2+  
981 NSO sulfinyl amidogen NSO  
982 PO2 Phosphorus dioxide po2  
983 PO2- Phosphorus dioxide anion po2-  
984 PO2+ Phosphorus dioxide cation po2+  
985 SNO Nitrogen oxide sulfide sno  
986 AsO2 Aresenic dioxide aso2  
987 O3 Ozone o3  
988 O3- Ozone anion o3-  
989 O3+ Ozone cation o3+  
990 SO2 Sulfur dioxide so2  
991 SO2- Sulfur dioxide anion so2-  
992 SO2+ Sulfur dioxide cation so2+  
993 SSO Disulfur monoxide sso  
994 S3 Sulfur trimer s3  
995 S3- Sulfur trimer anion s3-  
996 S3+ Sulfur trimer cation s3+  
997 SeO2 Selenium dioxide seo2  
998 SeO2+ Selenium dioxide cation seo2+  
999 TeO2 Tellurium Dioxide teo2  
1000 HCCO ketenyl radical ketenyl  
1001 CS2H+ Carbon disulfide, protonated cs2h+  
1002 HCNO fulminic acid hcno  
1003 HNCO Isocyanic acid hnco  
1004 HOCN cyanic acid hocn  
1005 HNCS Isothiocyanic acid hncs  
1006 HSCN thiocyanic acid hscn  
1007 HCO2- formate anion hco2-  
1008 HNNO nitrosoazane hnno  
1009 HNNO+ Nitrous oxide, N-protonated hnno+  
1010 NNOH+ Nitrous Oxide, O-protonated nnoh+  
1011 HCOO formate neutral radical hcoo  
1012 HOCO Hydrocarboxyl radical hoco  
1013 HOCO+ Hydrocarboxyl cation hoco+  
1014 HNO2 Nitrous acid hno2  
1015 HNO2+ nitrous acid cation hno2+  
1016 O3H+ protonated ozone o3h+  
1017 SO2H+ protonated sulfur dioxide so2h+  
1018 C2H2O Oxirene oxirene  
1019 CH2CO Ketene ch2co  
1020 CH2CO+ Ketene cation ch2co+  
1021 HCCOH ethynol hccoh  
1022 CH2CS Thioketene ch2cs  
1023 Be(OH)2 Beryllium hydroxide beo2h2  
1024 Mg(OH)2 Magnesium dihydroxide h2mgo2  
1025 NH2NO Nitrosamide nh2no  
1026 CH2O2 Dioxirane diox  
1027 H2COO Dioxymethyl radical h2coo  
1028 H2COO+ dioxymethyl cation h2coo+  
1029 HCOOH Formic acid ch2o2  
1030 H2O3 Hydrogen trioxide h2o3  
1031 HSSSH trisulfane hsssh  
1032 NaOCH3 Sodium methoxide naoch3  
1033 CH2BOH hydroxy(methylene)borane ch2boh  
1034 BH3CO Borane carbonyl bh3co  
1035 CH3BO Borane, methyloxo- ch3bo  
1036 CH2CHO Vinyloxy radical ch2cho  
1037 CH2COH+ ketene, protonated ch2coh+  
1038 CH3CO Acetyl radical ch3co  
1039 CH3CO- Acetyl anion ch3co-  
1040 CH3CO+ acetyl cation ch3co+  
1041 CH2NOH formaldoxime ch2noh  
1042 CH3NO nitrosomethane ch3no  
1043 CHONH2 formamide formamide  
1044 CNOH3 1,2-oxaziridine cnoh3  
1045 HOCHNH hydroxymethylimine hochnh  
1046 CHSNH2 thioformamide chsnh2  
1047 NHCHSH Methanimidothioic acid nhchsh  
1048 CH2OOH CH2OOH radical ch2ooh  
1049 CH3OO methylperoxy radical ch3oo  
1050 CH3OO- methylperoxy anion ch3oo-  
1051 CH3OO+ methylperoxy cation ch3oo+  
1052 C2H4O Ethylene oxide c2h4o  
1053 C2H4O+ ethylene oxide cation c2h4o+  
1054 CH2CHOH ethenol ch2choh  
1055 CH3CHO Acetaldehyde ch3cho  
1056 CH3CHO+ acetaldehyde cation ch3cho+  
1057 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1058 C2H4S Thiirane thiirane  
1059 CH2CHSH Ethenethiol ch2chsh  
1060 CH3CHS Thioacetaldehyde ch3chs  
1061 H2CONH2+ protonated formamide h2conh2+  
1062 NH2CHOH+ Formamide, O-protonated nh2choh+  
1063 NH3CHO+ Formamide, N-Protonated nh3cho+  
1064 CH2(OH)2 methanediol ch2o2h2  
1065 CH3OOH Methyl peroxide ch3ooh  
1066 CH3SSH Hydrogen methyl disulfide ch3ssh  
1067 HSCH2SH Methanedithiol ch4s2  
1068 H2OH2CO water formaldehyde dimer h2oh2co  
1069 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1070 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1071 CH3CH2O Ethoxy radical ethoxy  
1072 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1073 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1074 CH3OCH2 methoxymethyl radical ch3och2  
1075 NH2CH2OH aminomethanol nh2ch2oh  
1076 CH3CH2OH Ethanol etoh  
1077 CH3OCH3 Dimethyl ether meome  
1078 CH3CH2SH ethanethiol etsh  
1079 CH3SCH3 Dimethyl sulfide mesme  
1080 CH3SCH3+ dimethyl sulfide cation mesme+  
1081 CH3SeCH3 dimethylselenide dmse  
1082 CH3OHH2O methanol water dimer ch3ohh2o  
1083 H2OCH3OH water methanol dimer h2och3oh  
1084 CuF2 Copper difluoride cuf2  
1085 ZnF2 Zinc difluoride znf2  
1086 CNF iso cyanogen fluoride cnf  
1087 FCN Cyanogen fluoride fcn  
1088 ClCN chlorocyanogen clcn  
1089 BrCN Cyanogen bromide brcn  
1090 ICN Cyanogen iodide icn  
1091 FBO Boron monofluoride monoxide fbo  
1092 BeF2 Beryllium fluoride bef2  
1093 MgF2 Magnesium fluoride mgf2  
1094 BeCl2 Beryllium chloride becl2  
1095 MgCl2 Magnesium dichloride mgcl2  
1096 CaCl2 Calcium Chloride cacl2  
1097 ZnCl2 Zinc dichloride zncl2  
1098 BeBr2 Beryllium bromide bebr2  
1099 CaBr2 Calcium dibromide cabr2  
1100 CaF2 Calcium difluoride caf2  
1101 FCO Carbonyl fluoride fco  
1102 FCO+ Carbonyl fluoride cation fco+  
1103 ClCO carbonyl monochloride clco  
1104 BF2 Boron difluoride radical bf2  
1105 FNO Nitrosyl fluoride fno  
1106 ClNO Nitrosyl chloride clno  
1107 FNS Thionitrosyl fluoride fns  
1108 FSN Thiazyl fluoride fsn  
1109 OPCl Phosphorus oxychloride opcl  
1110 BrNO Nitrosyl bromide brno  
1111 INO Nitrosyl iodide ino  
1112 CF2 Difluoromethylene cf2  
1113 CF2- Difluoromethylene anion cf2-  
1114 CF2+ Difluoromethylene cation cf2+  
1115 CFCl chlorofluoromethylene cfcl  
1116 SiF2 Silicon difluoride sif2  
1117 SiF2+ Silicon difluoride cation sif2+  
1118 CCl2 dichloromethylene ccl2  
1119 CCl2- dichloromethylene anion ccl2-  
1120 CCl2+ dichloromethylene cation ccl2+  
1121 SiCl2 Dichlorosilylene sicl2  
1122 GeF2 Germanium difluoride gef2  
1123 GeCl2 Germanium dichloride gecl2  
1124 CBr2 dibromomethylene cbr2  
1125 FOO Dioxygen monofluoride radical foo  
1126 FOO+ Fluorine dioxide cation foo+  
1127 ClOO chloroperoxy radical cloo  
1128 ClOO+ chloroperoxy cation cloo+  
1129 OClO Chlorine dioxide oclo  
1130 OClO- Chlorine dioxide anion oclo-  
1131 OClO+ Chlorine dioxide cation oclo+  
1132 ClSO Sulfur chloride oxide clso  
1133 ClS2 Sulfur chloride cls2  
1134 BrOO Bromine dioxide broo  
1135 OBrO Bromine dioxide radical obro  
1136 NF2 Difluoroamino radical nf2  
1137 NF2+ Difluoroamino cation nf2+  
1138 PF2 Phosphorus difluoride pf2  
1139 PF2+ Phosphorus difluoride cation pf2+  
1140 FClO chlorosyl fluoride fclo  
1141 F2O Difluorine monoxide f2o  
1142 ClOF Chlorine hypofluorite clof  
1143 SF2 sulfur difluoride sf2  
1144 SF2- sulfur difluoride anion sf2-  
1145 SF2+ sulfur difluoride cation sf2+  
1146 Cl2O Dichlorine monoxide cl2o  
1147 SCl2 Sulfur dichloride scl2  
1148 SeF2 Selenium difluoride sef2  
1149 BrOCl Bromine hypochlorite brocl  
1150 SeCl2 Selenium Dichloride secl2  
1151 SBr2 Sulfur dibromide sbr2  
1152 SeBr2 Selenium dibromide sebr2  
1153 BrOBr Bromine oxide brobr  
1154 F3- trifluoride anion f3-  
1155 Cl3- trichloride anion cl3-  
1156 Br3- tribromide anion br3-  
1157 I3- triiodide i3-  
1158 SFCl Sulfur chloride fluoride sfcl  
1159 HCCF Fluoroacetylene hccf  
1160 HCCF+ fluoroacetylene cation hccf+  
1161 HCCCl Chloroacetylene hcccl  
1162 HCCBr bromoacetylene hccbr  
1163 HFCO formyl fluoride hfco  
1164 HFCO+ formyl fluoride cation hfco+  
1165 COHCl Formyl chloride cohcl  
1166 COHBr Formyl bromide cohbr  
1167 BHF2 Difluoroborane bhf2  
1168 BHCl2 Borane, dichloro- bhcl2  
1169 CHCl2 dichloromethyl radical chcl2  
1170 CHF2 difluoromethyl radical chf2  
1171 CHF2+ difluoromethyl cation chf2+  
1172 CHFCl Chlorofluoromethyl radical chfcl  
1173 CHFCl+ Chlorofluoromethyl cation chfcl+  
1174 CHCl2+ dichloromethyl cation chcl2+  
1175 CHBr2 dibromomethyl radical chbr2  
1176 HOClO Chlorous acid hoclo  
1177 NHF2 difluoramine nhf2  
1178 NHCl2 dichloroamine nhcl2  
1179 CH2F2 Methane, difluoro- ch2f2  
1180 CH2FCl fluorochloromethane ch2fcl  
1181 SiH2F2 difluorosilane sih2f2  
1182 CH2Cl2 Methylene chloride ch2cl2  
1183 CH2BrF Methane, bromofluoro- ch2fbr  
1184 CH2BrCl Methane, bromochloro- ch2clbr  
1185 CH2FI fluoroiodomethane ch2fi  
1186 CH2Br2 dibromomethane ch2br2  
1187 CH2ClI chloroiodomethane ch2cli  
1188 CH2BrI bromoiodomethane ch2bri  
1189 CH2I2 Diiodomethane ch2i2  
1190 SiH2Cl2 dichlorosilane sih2cl2  
1191 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1192 CH2CHF Ethene, fluoro- ch2chf  
1193 CH2CHF+ fluoroethene cation ch2chf+  
1194 C2H3Cl Ethene, chloro- ch2chcl  
1195 C2H3Br vinyl bromide c2h3br  
1196 C2H3I Vinyl iodide c2h3i  
1197 CH2FOH fluoromethanol ch2foh  
1198 CH3OCl methyl hypochlorite ch3ocl  
1199 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1200 CHClCH3 1-chloroethyl radical chclch3  
1201 C2H5F fluoroethane c2h5f  
1202 CH3CH2Cl Ethyl chloride c2h5cl  
1203 CH3SiFH2 fluoromethylsilane ch3sifh2  
1204 C2H5Br Ethyl bromide etbr  
1205 C2H5I Ethyl iodide c2h5i  
1206 KrF2 Krypton difluoride krf2  
1207 B4H10 Tetraborane(10) b4h10  
1208 C4 Carbon tetramer c4  
1209 C4+ Carbon tetramer cation c4+  
1210 C4H2 Diacetylene c4h2  
1211 C4H2+ diacetlyene cation c4h2+  
1212 C2H3CCH 1-Buten-3-yne c2h3cch  
1213 C4H4 cyclobutadiene cbd  
1214 C4H4 Tetrahedrane c4h4  
1215 H2CCCCH2 Butatriene h2cccch2  
1216 C4H6 1-Methylcyclopropene c3100047  
1217 C4H6 Cyclobutene c822355  
1218 C4H6 Methylenecyclopropane c6142730  
1219 CH2CCHCH3 1,2-Butadiene butad12  
1220 CH2CHCHCH2 1,3-Butadiene c106990  
1221 CH3CCCH3 2-Butyne c503173  
1222 CHCCH2CH3 1-Butyne c107006  
1223 CH3CHCHCH2 methylallyl radical c4h7  
1224 C4H8 methylcyclopropane mcp  
1225 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1226 CH2CHCH2CH3 1-Butene bute1  
1227 CH3CHCHCH3 2-Butene, (E)- bute2e  
1228 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1229 B(CH3)3 trimethylborane bme3  
1230 Al(CH3)3 trimethyl aluminum tma  
1231 C(CH3)3 Tert-butyl radical tbutyl  
1232 CH2CH(CH3)2 Isobutyl radical isobutyl  
1233 CH3CHCH2CH3 2-Butyl radical butyl2  
1234 CH3CH(CH3)CH3 Isobutane isobutane  
1235 CH3CH2CH2CH3 Butane butane  
1236 SiH(CH3)3 trimethylsilane trimsi  
1237 Li3N trilithium nitride li3n  
1238 C2N2 Cyanogen c2n2  
1239 C2N2+ Cyanogen cation c2n2+  
1240 P4 Phosphorus tetramer p4  
1241 As4 Arsenic tetramer as4  
1242 HCCCN Cyanoacetylene hcccn  
1243 HCCCN+ Cyanoacetylene cation hcccn+  
1244 H2CNCN cyanamide, methylene ch2ncn  
1245 HNCCNH Ethenediimine hnccnh  
1246 C3H3N acrylonitrile ch2chcn  
1247 C3H3N+ acrylonitrile cation ch2chcn+  
1248 CH3N3 methyl azide ch3n3  
1249 NH2CCNH2 Diaminoacetylene daa  
1250 NH2CH2CN Aminoacetonitrile aan  
1251 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1252 C2H5CN ethyl cyanide c2h5cn  
1253 CH5N3 Guanidine guanidine  
1254 C4H6 Bicyclo[1.1.0]butane c157335  
1255 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1256 H2NCHCHNH2 diaminoethylene dae  
1257 CH6N3+ guanidinium ch6n3+  
1258 C3H7N Cyclopropylamine cpram  
1259 CH7N3 triaminomethane tam  
1260 C3H7N Azetidine azet  
1261 C4H8 cyclobutane cbutane  
1262 C2H8N2 Ethylenediamine ethdiam  
1263 CH3NHNHCH3 dimethyl hydrazine dmh  
1264 CH3CH(NH2)CH3 2-Propanamine pram2  
1265 N(CH3)3 Trimethylamine trimeam  
1266 NH2CH2CH2CH3 1-Propanamine pram1  
1267 P(CH3)3 trimethylphosphine tmp  
1268 N(SiH3)3 trisilylamine tsa  
1269 As(CH3)3 trimethyl arsine tmas  
1270 (CH3)3NH+ protonated trimethyl amine ptma  
1271 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1272 Li2O2 dilithium dioxide li2o2  
1273 Na2O2 disodium dioxide na2o2  
1274 K2O2 dipotassium dioxide k2o2  
1275 C3O Tricarbon monoxide c3o  
1276 B2O2 Diboron dioxide b2o2  
1277 ONNO NO dimer onno  
1278 S2N2 Disulfur dinitride s2n2  
1279 CO3 Carbon trioxide co3  
1280 CO3-- carbonate co3--  
1281 CS3-- Carbonotrithioate cs3--  
1282 NO3 Nitrogen trioxide no3  
1283 NO3- nitrate anion no3-  
1284 NO3+ nitrogen trioxide cation no3+  
1285 SO3 Sulfur trioxide so3  
1286 SO3- Sulfur trioxide anion so3-  
1287 SO3-- Sulfate dianion so3--  
1288 SO3+ Sulfur trioxide cation so3+  
1289 SeO3 selenium trioxide seo3  
1290 S4 Sulfur tetramer s4  
1291 TeO3 Tellurium trioxide teo3  
1292 HCO3- bicarbonate anion hco3-  
1293 HNO3 Nitric acid hno3  
1294 HSO3 Hydroxysulfonyl radical hso3  
1295 NH2NO2 nitramide nh2no2  
1296 C2H2CO cyclopropenone c2h2co  
1297 C3H2O Propadienal c3h2o  
1298 HCCCHO 2-propynal hcccho  
1299 C2H2O2 Ethanedial c2h2o2  
1300 C2H2O2+ Ethanedial cation c2h2o2+  
1301 H2CO3 Carbonic acid h2co3  
1302 H2CS3 thiocarbonic acid h2cs3  
1303 H2NO3+ Nitric Acid, Protonated h2no3+  
1304 H2SO3 Sulfurous acid h2so3  
1305 C2H3NO Nitrosoethylene c2h3no  
1306 CH3NCO methylisocyante ch3nco  
1307 HOCH2CN cyanomethanol hoch2cn  
1308 CH3COO- acetate anion ch3coo-  
1309 CH3NO2 Methane, nitro- ch3no2  
1310 CH3ONO Methyl nitrite ch3ono  
1311 NH2COOH Carbamic acid nh2cooh  
1312 H3BO3 Boric acid h3bo3  
1313 H3AlO3 Aluminum hydroxide h3alo3  
1314 H3CO3+ carbonic acid, protonated h3co3+  
1315 C3H4O 2-Propyn-1-ol c107197  
1316 C3H4O allenol c9000071  
1317 C3H4O Cyclopropanone cpone  
1318 C3H4O Methylketene c6004440  
1319 CH2CHCHO Acrolein c3h4o  
1320 NH2CONH2 Urea urea  
1321 NH2CONH2+ Urea cation urea+  
1322 NH2CSNH2 Thiourea thiourea  
1323 C2H4O2 1,3-dioxetane c2h4o2  
1324 CH3COOH Acetic acid ch3cooh  
1325 CH3OCHO methyl formate ch3ocho  
1326 CHOCH2OH hydroxy acetaldehyde haa  
1327 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1328 NH3COOH+ protonated Carbamic acid nh3cooh+  
1329 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1330 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1331 HCOOHH2O Formic acid water dimer hcoohh2o  
1332 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1333 CH3COCH2 Acetonyl radical ch3coch2  
1334 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1335 CH3C(OH)=NH Ethaninidic acid eia  
1336 CH3CHNOH Acetaldoxime acetaldoxime  
1337 CH3CONH2 Acetamide acetamide  
1338 HCONHCH3 N-methylformamide nmfa  
1339 CH3CSNH2 Ethanethioamide ch3csnh2  
1340 CH5N2O+ urea, N-protonated ch4n2o+  
1341 H2NCOHNH2+ urea, protonated ureah+  
1342 C2H5OO ethylperoxy radical c2h5oo  
1343 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1344 C3H5OH Cyclopropanol cproh  
1345 C3H6O 2-Propen-1-ol c107186  
1346 C3H6O Acetone enol enol  
1347 C3H6O Oxetane oxetane  
1348 C3H6O Propylene oxide prox  
1349 CH3CH2CHO Propanal propanal  
1350 CH3COCH3 Acetone acetone  
1351 CH3COCH3- acetone anion ch3coch3-  
1352 C3H6S Thietane thietane  
1353 C3H6S Thiirane, methyl- methiirane  
1354 CH3CSCH3 Thioacetone ch3csch3  
1355 C2H6O2 1,2-Ethanediol ethdiol  
1356 CH3OOCH3 dimethylperoxide dmp  
1357 CH3SOCH3 Dimethyl sulfoxide dmso  
1358 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1359 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1360 CH3COHCH3+ acetone, protonated acetoneh+  
1361 HOCH2CH2NH2 monoethanolamine mea  
1362 C3H7OH 1-Propanol proh  
1363 CH3CHOHCH3 Isopropyl alcohol isoproh  
1364 CH3OC2H5 Ethane, methoxy- etome  
1365 C3H7SH 1-Propanethiol prsh  
1366 CH3CHSHCH3 2-Propanethiol isoprsh  
1367 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1368 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1369 Li2F2 Lithium fluoride dimer li2f2  
1370 Na2F2 Sodium Fluoride Dimer na2f2  
1371 Na2Cl2 Disodium dichloride na2cl2  
1372 C2F2 difluoroacetylene c2f2  
1373 C2Cl2 dichloroacetylene c2cl2  
1374 C2Cl2+ dichloroacetylene cation c2cl2+  
1375 FNO2 Nitryl fluoride fno2  
1376 FONO Nitrosyl hypofluorite fono  
1377 ClNO2 Nitryl chloride clno2  
1378 ClONO chlorine nitrite clono  
1379 BrONO Bromine nitrite brono  
1380 N2F2 (Z)-Difluorodiazene n2f2_z  
1381 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1382 CF2O Carbonic difluoride f2co  
1383 CF2O+ Carbonic difluoride cation f2co+  
1384 COFCl Carbonic chloride fluoride cofcl  
1385 CCl2O Phosgene cl2co  
1386 Cl2CS Thiophosgene cl2cs  
1387 COBr2 Carbonic dibromide cobr2  
1388 BF3 Borane, trifluoro- bf3  
1389 BF3- Borane, trifluoro- anion bf3-  
1390 BF3+ boron trifluoride cation bf3+  
1391 AlF3 Aluminum trifluoride alf3  
1392 BClF2 Chlorodifluoroborane bclf2  
1393 AlF2Cl Aluminum chloride difluoride alclf2  
1394 ScF3 Scandium trifluoride ScF3  
1395 AlFCl2 Aluminum dichloride fluoride alcl2f  
1396 BCl3 Borane, trichloro- bcl3  
1397 BCl3+ Boron Trichloride cation bcl3+  
1398 GaF3 Gallium trifluoride gaf3  
1399 AlCl3 Aluminum trichloride alcl3  
1400 GaCl3 Gallium trichloride gacl3  
1401 BBr3 Boron tribromide bbr3  
1402 AlBr3 Aluminum Bromide albr3  
1403 ClO3 Chlorine trioxide clo3  
1404 ClO3- chlorate anion clo3-  
1405 BrO3- Bromate anion bro3-  
1406 CF3 Trifluoromethyl radical cf3  
1407 CF3- Trifluoromethyl anion cf3-  
1408 CF3+ Trifluoromethyl cation cf3+  
1409 CF2Cl difluorochloromethyl radical cf2cl  
1410 SiF3 Silicon trifluoride radical sif3  
1411 SiF3+ Silicon trifluoride cation sif3+  
1412 CFCl2 dichlorofluoromethyl radical cfcl2  
1413 CCl3 Trichloromethyl radical ccl3  
1414 CCl3- Trichloromethyl anion ccl3-  
1415 CCl3+ Trichloromethyl cation ccl3+  
1416 SiCl3 trichlorosilyl radical sicl3  
1417 SiCl3+ trichlorosilyl cation sicl3+  
1418 CBr3 tribromomethyl radical cbr3  
1419 FOOF Perfluoroperoxide foof  
1420 ClO2F Chloryl fluoride clo2f  
1421 F2SO Thionyl Fluoride f2so  
1422 ClOOCl Dichlorine dioxide cloocl  
1423 FSSF Difluorodisulfane fssf  
1424 S2F2 Thio-thionyl fluoride s2f2  
1425 SOCl2 thionyl chloride socl2  
1426 SSCl2 Thiothionyl chloride sscl2  
1427 SeOCl2 selenium oxychloride seocl2  
1428 NF3 Nitrogen trifluoride nf3  
1429 NF3- Nitrogen trifluoride anion nf3-  
1430 NF3+ Nitrogen trifluoride cation nf3+  
1431 PF3 Phosphorus trifluoride pf3  
1432 NCl3 nitrogen trichloride ncl3  
1433 AsF3 Arsenic trifluoride asf3  
1434 PCl3 Phosphorus trichloride pcl3  
1435 SbF3 Antimony Trifluoride sbf3  
1436 AsCl3 Arsenous trichloride ascl3  
1437 SbCl3 Antimony Trichloride sbcl3  
1438 NBr3 Nitrogen Tribromide nbr3  
1439 PBr3 Phosphorus tribromide pbr3  
1440 AsBr3 Arsenic tribromide asbr3  
1441 NI3 Nitrogen triiodide ni3  
1442 PI3 Phosphorus triiodide pi3  
1443 ClSSCl Disulfur dichloride s2cl2  
1444 SF3 Sulfur trifluoride sf3  
1445 ClF3 Chlorine trifluoride clf3  
1446 BrF3 Bromine trifluoride brf3  
1447 IF3 iodone trifluoride if3  
1448 HClO3 Chloric Acid hclo3  
1449 CHF3 Methane, trifluoro- chf3  
1450 CHF2Cl difluorochloromethane chf2cl  
1451 SiHF3 trifluorosilane sihf3  
1452 CHFCl2 fluorodichloromethane chfcl2  
1453 CDCl3 trichloromethane-d cdcl3  
1454 CHCl3 Chloroform chcl3  
1455 CHBrF2 Methane, bromodifluoro- chbrf2  
1456 SiHCl3 Trichlorosilane sihcl3  
1457 CHFClBr fluorochlorobromomethane chfclbr  
1458 CHBrCl2 Methane, bromodichloro- chbrcl2  
1459 CHF2I difluoroiodomethane chf2i  
1460 CHBr2F dibromofluoromethane chbr2f  
1461 CHFClI fluorochloroiodomethane chfcli  
1462 CHCl2I dichloroiodomethane chcl2i  
1463 CHClBr2 Methane, dibromochloro- chclbr2  
1464 CHBr3 bromoform chbr3  
1465 CHI3 Iodoform chi3  
1466 NF3H+ protonated nitrogen trifluoride nf3h+  
1467 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1468 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1469 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1470 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1471 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1472 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1473 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1474 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1475 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1476 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1477 C2H2Br2 1,1-dibromoethene c2h2br2  
1478 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1479 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1480 CH2FCHO Fluoroacetaldehyde ch2fcho  
1481 CH3COF Acetyl fluoride ch3cof  
1482 CH2ClCHO chloroacetaldehyde ch2clcho  
1483 CH3COCl Acetyl Chloride ch3cocl  
1484 C2H4F2 1,2-difluoroethane c2h4f2  
1485 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1486 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1487 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1488 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1489 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1490 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1491 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1492 CH2CFCH3 2-fluoropropene 2fpro  
1493 CH2CHCH2F Allyl Fluoride allylf  
1494 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1495 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1496 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1497 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1498 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1499 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1500 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1501 CH2FCH2CH3 1-Fluoropropane prf1  
1502 CH3CHFCH3 2-Fluoropropane prf2  
1503 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1504 CH3CHClCH3 Propane, 2-chloro- prcl2  
1505 CH3CH2CH2Br n-propyl bromide prbr  
1506 CH3CHBrCH3 i-propyl bromide iprbr  
1507 C3H9O+ trimethyl oxonium cation c3h9o+  
1508 B5H9 pentaborane9 b5h9  
1509 C5H4 pentatetraene ptrene  
1510 C5H5 cyclopentadienyl radical c5h5  
1511 C5H5- cylopentadienyl anion c5h5-  
1512 C5H6 1,3-Cyclopentadiene c542927  
1513 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1514 C5H6 3-Penten-1-yne, (E)- c2004695  
1515 C5H6 3-Penten-1-yne, (Z)- c1574409  
1516 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1517 C5H6 Cyclopropylacetylene c6746947  
1518 C5H6 Propellane propellane  
1519 C5H7 1,3-pentadienyl radical pdyl  
1520 C5H7 cyclopentenyl radical cpyl  
1521 C5H8 1,2-Butadiene, 3-methyl- c598254  
1522 C5H8 1,2-Pentadiene c591957  
1523 C5H8 1,3-Butadiene, 2-methyl- c78795  
1524 C5H8 1,3-Pentadiene, (E)- c2004708  
1525 C5H8 1,3-Pentadiene, (Z)- c1574410  
1526 C5H8 1,4-Pentadiene c591935  
1527 C5H8 1-pentyne a1pentyne  
1528 C5H8 2,3-Pentadiene c591968  
1529 C5H8 Bicyclo[1.1.1]pentane bcp  
1530 C5H8 Cyclobutane, methylene- c1120565  
1531 C5H8 Cyclopentene c142290  
1532 C5H8 Ethenylcyclopropane c693867  
1533 CH3CCCH2CH3 2-Pentyne 2pentyne  
1534 C5H10 1-Butene, 2-methyl- c563462  
1535 C5H10 2-Butene, 2-methyl- c513359  
1536 C5H10 2-Pentene, (E)- c646048  
1537 C5H10 2-Pentene, (Z)- c627203  
1538 C5H10 Cyclopentane c287923  
1539 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1540 CH2CHCH2CH2CH3 1-pentene pentene  
1541 C5H11 2-Methylbut-2-yl radical c4348350  
1542 C5H12 Butane, 2-methyl- buta2  
1543 C5H12 Pentane pentane  
1544 C5H12 Propane, 2,2-dimethyl- neopentane  
1545 Si(CH3)4 tetramethylsilane tms  
1546 N2O3 Dinitrogen trioxide n2o3  
1547 C3H2N2 Malononitrile c3h2n2  
1548 CH2N4 1H-Tetrazole 1htz  
1549 C3H3N2 imidazolyl radical im  
1550 C3H3N2- imidizolyl anion im-  
1551 C2H3N3 1H-1,2,4-Triazole c288880  
1552 C4H4N pyrrolide radical c4h4n  
1553 C4H4N- pyrrolide anion c4h4n-  
1554 C3H4N2 1H-Imidazole 1himidaz  
1555 C3H4N2 1H-Pyrazole 1hpyraz  
1556 C3H4N2 2H-Imidazole imid2h  
1557 C3H4N2 4H-Imidazole imid4h  
1558 C4H5N (E)-2-Butenenitrile c627269  
1559 C4H5N (Z)-2-Butenenitrile c1190767  
1560 C4H5N 2H-pyrrole pyrrole2  
1561 C4H5N 3H-pyrrole pyrrole3  
1562 C4H5N Cyclopropanecarbonitrile c5500210  
1563 C4H5N Pyrrole pyrrole  
1564 CH2CHCH2CN Allylcyanide ch2chch2cn  
1565 C4H6N+ pyrrole, alpha-protonated appyr  
1566 C4H6N+ pyrrole, beta-protonated bppyr  
1567 C4H6N+ pyrrole, protonated ppyr  
1568 C3H6N2 3-Aminopropionitrile c151188  
1569 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1570 CH3CH2CH2CN Butanenitrile c109740  
1571 C5H8 Bicyclo[2.1.0]pentane c185944  
1572 C5H8 Spiropentane c157404  
1573 C4H9N Cyclobutylamine cbam  
1574 C4H9N Pyrrolidine pyrrolidine  
1575 C3H10N2 1,2-Diaminopropane diampr12  
1576 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1577 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1578 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1579 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1580 NH(C2H5)2 diethylamine dea  
1581 NC4H12+ tetramethyl ammonium cation nc4h12+  
1582 C3O2 Carbon suboxide c3o2  
1583 C3O2+ Carbon suboxide cation c3o2+  
1584 B2O3 diboron trioxide b2o3  
1585 MgCO3 Magnesium Carbonate mgco3  
1586 BeCO3 Beryllium Carbonate beco3  
1587 CaCO3 Calcium Carbonate caco3  
1588 ONONO Nitrosyl nitrite onono  
1589 PO4--- phosphate po4---  
1590 SO4-- sulfate so4--  
1591 HOONO2 peroxy nitric acid hoono2  
1592 HSO4- bisulfate anion hso4-  
1593 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1594 C3H2O2 Propiolic acid c3h2o2  
1595 CHOCOOH oxo acetic acid oaa  
1596 CHOOCHO diformyl ether choocho  
1597 H2SO4 Sulfuric acid h2so4  
1598 H2SeO4 Selenic acid h2seo4  
1599 C3H3NO Isoxazole isox  
1600 C3H3NO Oxazole oxazole  
1601 C3H3NS Thiazole thiazole  
1602 CH3C(O)OO acetyl peroxy radical ch3coo2  
1603 CH3NO3 Methyl nitrate ch3no3  
1604 H3PO4 Phosphoric Acid h3po4  
1605 C4H4O Furan furan  
1606 C4H4O+ Furan cation furan+  
1607 CH3COCCH 3-butyn-2-one c1423605  
1608 C4H4S Thiophene furans  
1609 C4H4Se selenophene c4h4se  
1610 C3H4O2 β–Propiolactone beta  
1611 C3H4O2 2-Propenoic acid propenoic2  
1612 C3H4O2 Methyl glyoxal megly  
1613 C3H4O2 propanedial propanedial  
1614 C3H4O2 propenalol propenalol  
1615 HOCHCCHOH allenediol aldiol  
1616 C2H4O3 1,2,3-trioxolane c2h4o3  
1617 C2H4O3 trioxolane124 triox  
1618 HOCH2COOH Hydroxyacetic acid hac  
1619 CH2CHCONH2 Acrylamide c79061  
1620 CH3OCH2CN Methoxyacetonitrile c1738369  
1621 CH5N3S Hydrazinecarbothioamide c79196  
1622 H2NCH2COOH Glycine glycine  
1623 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1624 C4H6O cis-2-butenal butenal2c  
1625 C4H6O Cyclobutanone cbutone  
1626 C4H6O Furan, 2,3-dihydro- furan23h  
1627 C4H6O Furan, 2,5-dihydro- furan25h  
1628 CH2CHOCHCH2 Vinyl ether vinylether  
1629 CHOCHCHCH3 2-Butenal butenal2  
1630 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1631 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1632 CH2CHSCHCH2 Divinyl sulfide divis  
1633 C2H6N2O Urea, methyl- c598505  
1634 C3H6O2 1,3-Dioxolane dioxolane  
1635 CH3CH2COOH Propanoic Acid propanoic  
1636 CH3COOCH3 methyl acetate aame  
1637 HCOOC2H5 Ethyl formate faee  
1638 C2H6O2S Dimethyl sulfone c67710  
1639 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1640 C3H7NO dimethylformamide dmf  
1641 C3H7NO Propanamide propanam  
1642 C2H3OC2H5 Ethene, ethoxy- c109922  
1643 C4H8O Cyclobutanol c2919235  
1644 C4H8O Furan, tetrahydro- thf  
1645 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1646 CH3COCH2CH3 2-Butanone buta2one  
1647 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1648 CHOCH2CH2CH3 Butanal butanal  
1649 C4H8S Thiophene, tetrahydro- tht  
1650 C3H8O2 1,3-Propanediol c504632  
1651 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1652 C3H8O2 Methane, dimethoxy- c109875  
1653 C3H8O2 Propylene glycol c57556  
1654 C3H8S2 1,3-Propanedithiol c109808  
1655 C4H10O 1-Butanol butanol1  
1656 C4H10O 1-Propanol, 2-methyl- c78831  
1657 C4H10O 2-Butanol, (.+/-.)- butanol2  
1658 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1659 C4H10O Ethoxy ethane etoet  
1660 C4H10O Methyl propyl ether meopr  
1661 C4H10O Propane, 2-methoxy- c598538  
1662 C4H10O+ 1-Butanol cation butanol1+  
1663 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1664 C2H5SC2H5 Diethyl sulfide etset  
1665 C4H9SH 1-Butanethiol bush  
1666 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1667 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1668 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1669 FNO3 Fluorine nitrate fno3  
1670 ClONO2 Chlorine nitrate clono2  
1671 BrONO2 Bromine nitrate brono2  
1672 TiCl4 Titanium tetrachloride ticl4  
1673 ClO4- perchlorate anion clo4-  
1674 BF4- tetrafluoroboron anion bf4-  
1675 ClFO3 Perchloryl fluoride clfo3  
1676 SO2F2 Sulfuryl fluoride so2f2  
1677 SO2Cl2 Sulfuryl chloride so2cl2  
1678 F3NO Nitrogen trifluoride oxide f3no  
1679 F3PO Phosphoryl fluoride pf3o  
1680 Cl3PO Phosphoryl chloride pcl3o  
1681 CF4 Carbon tetrafluoride cf4  
1682 CF3Cl Methane, chlorotrifluoro- cf3cl  
1683 SiF4 Silicon tetrafluoride sif4  
1684 CF2Cl2 difluorodichloromethane cf2cl2  
1685 TiF4 Titanium tetrafluoride tif4  
1686 CFCl3 Trichloromonofluoromethane cfcl3  
1687 CF3Br Bromotrifluoromethane cf3br  
1688 GeF4 Germanium tetrafluoride gef4  
1689 CCl4 Carbon tetrachloride ccl4  
1690 CCl4+ Carbon tetrachloride cation ccl4+  
1691 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1692 SiCl4 Silane, tetrachloro- sicl4  
1693 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1694 CF3I trifluoroiodomethane cf3i  
1695 CBrCl3 Methane, bromotrichloro- cbrcl3  
1696 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1697 GeCl4 Germanium Tetrachloride gecl4  
1698 CBr2ClF dibromochlorofluoromethane cbr2clf  
1699 CBr2Cl2 dibromodichloromethane cbr2cl2  
1700 CCl3I trichloroiodomethane ccl3i  
1701 CFBr3 fluorotribromomethane cfbr3  
1702 CFClBrI fluorochlorobromoiodomethane cfclbri  
1703 CBr3Cl tribromochloromethane cbr3cl  
1704 CF2I2 difluorodiiodomethane cf2i2  
1705 CBr4 Carbon tetrabromide cbr4  
1706 CCl2I2 dichlorodiiodomethane ccl2i2  
1707 SiBr4 Silicon tetrabromide sibr4  
1708 CBr3I tribromoiododmethane cbr3i  
1709 GeBr4 Germanium tetrabromide gebr4  
1710 CI4 tetraiodomethane ci4  
1711 SiI4 silicon tetraiodide sii4  
1712 ClOF3 Chlorine trifluoride oxide clof3  
1713 SF4 Sulfur tetrafluoride sf4  
1714 SeF4 Selenium tetrafluoride sef4  
1715 SCl4 Sulfur tetrachloride scl4  
1716 C2HF3 Trifluoroethylene c2hf3  
1717 C2HF3+ Trifluoroethylene cation c2hf3+  
1718 CHClCCl2 Trichloroethylene chclccl2  
1719 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1720 HClO4 perchloric acid hclo4  
1721 HSO3F Fluorosulfonic acid hso3f  
1722 CF3OH trifluoromethanol cf3oh  
1723 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1724 CHClCCHCl 1,3-dichloroallene chclcchcl  
1725 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1726 CHCl2CHO dichloroacetaldehyde chcl2cho  
1727 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1728 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1729 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1730 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1731 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1732 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1733 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1734 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1735 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1736 NH3BCl3 Amminetrichloroboron nh3bcl3  
1737 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1738 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1739 C3H5ClO Oxirane, (chloromethyl)- c106898  
1740 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1741 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1742 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1743 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1744 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1745 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1746 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1747 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1748 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1749 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1750 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1751 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1752 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1753 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1754 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1755 C4H9F 1-fluorobutane butaf1  
1756 CH3CHFCH2CH3 2-fluorobutane butaf2  
1757 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1758 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1759 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1760 XeF4 Xenon tetrafluoride xef4  
1761 C2H2N2O Furazan furazan  
1762 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1763 NH3BF3 Amminetrifluoroboron nh3bf3  
1764 C6H2 hexatriyne c6h2  
1765 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1766 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1767 C6H4 Benzyne benzyne  
1768 C6H5 phenyl phenyl  
1769 C6H5- phenyl anion phenyl-  
1770 C6H6 Prismane prismane  
1771 C6H6 1,2,4,5-Hexatetraene ht1245  
1772 C6H6 2,4-Hexadiyne hexadiyne  
1773 C6H6 3,4-Dimethylenecyclobutene cb34m  
1774 C6H6 Benzene benzene  
1775 C6H6 Benzvalene bv  
1776 C6H6 Dewar Benzene dewar  
1777 C6H6 Hexa-1,5-diene-3-yne hdy153  
1778 C6H6 Trimethylenecycopropane tmcp  
1779 C6H6+ Benzene cation c6h6+  
1780 C6H7+ benzene, protonated c6h7+  
1781 C6H8 (E)-hexa-1,3,5-triene c821078  
1782 C6H8 (E)-hexa-2,3,4-triene c59660650  
1783 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1784 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1785 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1786 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1787 C6H8 3-Methylenecyclopentene c930267  
1788 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1789 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1790 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1791 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1792 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1793 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1794 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1795 C6H10 1,5-Hexadiene c592427  
1796 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1797 C6H10 1-Hexyne hexyne1  
1798 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1799 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1800 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1801 C6H10 2-Hexyne c764352  
1802 C6H10 3-Hexyne hexyne3  
1803 C6H10 cyclohexene cyclohexene  
1804 C6H10 Cyclopentene, 1-methyl- c693890  
1805 C6H10 Cyclopentene, 3-methyl- c1120623  
1806 C6H10 Cyclopentene, 4-methyl- c1759815  
1807 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1808 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1809 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1810 C6H12 (E)-2-Hexene e2hexene  
1811 C6H12 (E)-3-methylpent-2-ene c616126  
1812 C6H12 (E)-hex-3-ene e3hexene  
1813 C6H12 (Z)-3-methylpent-2-ene c922623  
1814 C6H12 (Z)-hex-2-ene z2hexene  
1815 C6H12 (Z)-hex-3-ene z3hexene  
1816 C6H12 2,3-dimethylbut-1-ene c563780  
1817 C6H12 2,3-dimethyl-but-2-ene tmeet  
1818 C6H12 3-methylenepentane c760214  
1819 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1820 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1821 C6H12 Cyclohexane cyclohexane  
1822 C6H12 Cyclopentane, methyl- c96377  
1823 C6H12 Ethylcyclobutane c4806615  
1824 C6H12 hex-1-ene hexene1  
1825 C6H14 Butane, 2,2-dimethyl- buta22  
1826 C6H14 Butane, 2,3-dimethyl- buta23  
1827 C6H14 Hexane hexane  
1828 C6H14 Pentane, 2-methyl- penta2  
1829 C6H14 Pentane, 3-methyl- penta3  
1830 C4N2 2-Butynedinitrile c4n2  
1831 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1832 C4H2N2 Fumaronitrile c4h2n2  
1833 C2H2N4 sym-tetrazine ttz  
1834 C3H3N3 1,3,5-Triazine triazine135  
1835 CH3N5 5-Aminotetrazole c4418615  
1836 C4H4N2 1,3-Diazine diazine13  
1837 C4H4N2 Pyrazine pyrazine  
1838 C4H4N2 Pyridazine pyridazine  
1839 C4H4N2 Succinonitrile c110612  
1840 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1841 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1842 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1843 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1844 C5H5N E-2,4-pentadienenitrile bdcn  
1845 C5H5N Pyridine pyridine  
1846 B3N3H6 borazine borazine  
1847 C6H6 Fulvene fulvene  
1848 C5H6N+ Pyridinium c5h6n  
1849 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1850 C5H7N (E)-2-Pentenenitrile c26294984  
1851 C5H7N (E)-3-Pentenenitrile c16529661  
1852 C5H7N (Z)-2-Pentenenitrile c25899507  
1853 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1854 C5H7N Cyclobutanecarbonitrile c4426113  
1855 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1856 C5H9N Butanenitrile, 2-methyl- c18936179  
1857 C5H9N Pentanenitrile c110598  
1858 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1859 C6H10 Bicyclo[3.1.0]hexane c285585  
1860 C5H11N Cyclopentanamine cypentam  
1861 C5H11N Piperidine piper  
1862 C4H12N2 1,2-Butanediamine c4426486  
1863 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1864 Li2CO3 Lithium Carbonate li2co3  
1865 Na2CO3 Sodium Carbonate na2co3  
1866 C2O4-- oxalate anion c2o4  
1867 MgSO4 Magnesium Sulfate mgso4  
1868 N2O4 Dinitrogen tetroxide n2o4  
1869 C3H2O3 vinylene carbonate vica  
1870 C2H2O4 Oxalic Acid oxalic  
1871 C2H3NO3 Oxamic acid oxamic  
1872 C4H4O2 2(5H)-Furanone furanone  
1873 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1874 C2H4N2O2 Oxalamide oxalamide  
1875 C2H4N2S2 Ethanedithioamide c79403  
1876 C2H4CO3 Ethylene carbonate etco3  
1877 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1878 C3H4S3 1,3-Dithiolane-2-thione c822388  
1879 C2H4O4 Formic acid dimer fadimer  
1880 C4H5NO 3-Methylisoxazole isox3m  
1881 C4H5NO Isoxazole, 5-methyl- c5765446  
1882 C4H5NS 4-Methylthiazole c693958  
1883 C2H5NO3 Nitric acid, ethyl ester c625581  
1884 C5H6O 2H-Pyran pyran2  
1885 C5H6O 2-methylfuran furan2m  
1886 C5H6O 3-Methylfuran furan3m  
1887 C5H6O Pentadienal pdal  
1888 C5H6S Thiophene, 2-methyl- c554143  
1889 C5H6S Thiophene, 3-methyl- c616444  
1890 C4H6O2 γ–Butyrolactone c96480  
1891 C4H6O2 2,3-Butanedione c431038  
1892 C4H6O2 2-Propenoic acid, methyl ester c96333  
1893 C4H6O2 Crotonic Acid crot  
1894 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1895 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1896 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1897 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1898 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1899 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1900 C4H6OS Vinyl sulfoxide c1115157  
1901 CH6N4S Carbonothioic dihydrazide thiacarb  
1902 C2H6N2O2 (E)-Azodioxymethane c37765154  
1903 C2H6N2O2 Dimethylnitroamine c4164287  
1904 C3H6O3 1,3,5-Trioxane trioxane  
1905 C3H6S3 1,3,5-Trithiane c3h6s3  
1906 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1907 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1908 C4H7NO 2-Pyrrolidinone c616455  
1909 C4H7NO Ethoxyacetonitrile etoaccn  
1910 C4H7NO Methacrylamide c79390  
1911 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1912 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1913 C3H7ONO Propyl nitrite prono  
1914 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1915 CH3CH(NH2)COOH Alanine alanine  
1916 CH3NHCH2COOH Sarcosine sarcosine  
1917 NH2CH2CH2COOH β–alanine betaalanine  
1918 NH2COOC2H5 Urethane urethane  
1919 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1920 C5H8O Cyclopentanone c120923  
1921 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1922 C5H8O Methyl cyclopropyl ketone c765435  
1923 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1924 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1925 NH2CONHC2H5 Urea, ethyl- c625525  
1926 C4H8O2 1,3-Dioxane dioxan13  
1927 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1928 C4H8O2 1,4-Dioxane dioxan14  
1929 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1930 C4H8O2 Ethyl acetate c141786  
1931 C4H8OS s-Ethyl thioacetate c625605  
1932 C3H8O3 1,2,3-Propanetriol glycerin  
1933 C3H8O2S (Methylsulfonyl)ethane c594434  
1934 C4H9NO Butanamide c541355  
1935 C4H9NO Propanamide, 2-methyl- c563837  
1936 C5H10O 2-Butanone, 3-methyl- c563804  
1937 C5H10O 2H-Pyran, tetrahydro- c142687  
1938 C5H10O 2-methylbutyraldehyde 2meba  
1939 C5H10O 2-Pentanone mpk  
1940 C5H10O 3-Pentanone dek  
1941 C5H10O Cyclopentanol c96413  
1942 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1943 C5H10O Pentanal pal  
1944 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1945 C5H10S 3-Ethylthio-1-propene c5296628  
1946 C5H10S Cyclopentanethiol c1679078  
1947 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1948 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1949 C4H10O2 1,1-Dimethoxyethane c534156  
1950 C4H10O2 1,3-Butanediol budiol13  
1951 C4H10O2 1,4-Butanediol budiol14  
1952 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1953 C4H10OS Diethyl sulfoxide c70291  
1954 C4H10S2 1,4-Butanedithiol budisl14  
1955 C4H11NO Diethylhydroxylamine c3710847  
1956 C5H12O 1-Butanol, 2-methyl- c137326  
1957 C5H12O 1-Butanol, 3-methyl- c123513  
1958 C5H12O 1-Pentanol pentanol1  
1959 C5H12O 2-Butanol, 3-methyl- c598754  
1960 C5H12O 2-Pentanol peol2  
1961 C5H12O 3-Pentanol pentan3ol  
1962 C5H12O Butane, 1-methoxy- meobu  
1963 C5H12O Propane, 1-ethoxy- proet  
1964 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1965 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1966 C5H12S 1-Butanethiol, 3-methyl- c541311  
1967 C5H12S 1-Pentanethiol c110667  
1968 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1969 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1970 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1971 C5H12S Butane, 1-(methylthio)- c628295  
1972 C5H12S Ethyl propyl sulfide c4110503  
1973 C5H12S Propane, 2-(ethylthio)- c5145993  
1974 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1975 C4F2 difluorobutadiyne c4f2  
1976 ClCOClCO Oxalyl chloride oxcl  
1977 CF3CN Acetonitrile, trifluoro- cf3cn  
1978 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1979 B2F4 Diboron tetrafluoride b2f4  
1980 B2Cl4 Diboron tetrachloride b2cl4  
1981 C2F4 Tetrafluoroethylene c2f4  
1982 C2F4+ Tetrafluoroethylene cation c2f4+  
1983 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1984 CF2CCl2 difluorodichloroethylene cf2ccl2  
1985 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1986 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1987 C2FCl3 fluorotrichloroethene c2fcl3  
1988 C2Cl4 Tetrachloroethylene c2cl4  
1989 C2Br4 tetrabromoethene c2br4  
1990 CF3OF Trifluoromethylhypofluorite cf3of  
1991 SiF5- silicon pentafluoride anion sif5-  
1992 SOF4 Sulfur tetrafluoride oxide sof4  
1993 PF5 Phosphorus pentafluoride pf5  
1994 AsF5 Arsenic pentafluoride asf5  
1995 PCl5 Phosphorus pentachloride pcl5  
1996 SF5 Sulfur pentafluoride sf5  
1997 SF5+ pentafluoro sulfur cation sf5+  
1998 SbCl5 Antimony pentachloride sbcl5  
1999 BrF5 bromine pentafluoride brf5  
2000 ClF5 chlorinepentafluoride clf5  
2001 IF5 pentafluoroiodine if5  
2002 CF3CHO trifluoroacetaldehyde cf3cho  
2003 CCl3CHO trichloroacetaldehyde ccl3cho  
2004 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
2005 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
2006 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
2007 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
2008 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
2009 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
2010 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
2011 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
2012 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
2013 CF3COOH trifluoroacetic acid cf3cooh  
2014 C4H3ClO Furan, 2-chloro fur2cl  
2015 C4H3ClO Furan,3-chloro fur3cl  
2016 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
2017 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
2018 C4H8Cl2 1,4-Dichlorobutane c110565  
2019 C4H8Cl2 Butane, 1,2-dichloro- c616217  
2020 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
2021 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
2022 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
2023 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
2024 C5H11Cl Pentane, 1-chloro- pencl1  
2025 C4H8O2 Butanoic acid bua  
2026 C6H5CH2 benzyl radical benzyl  
2027 C7H7 cycloheptatrienyl radical c7h7  
2028 C7H7+ cycloheptatrienyl cation c7h7+  
2029 C6H5CH3 toluene toluene  
2030 C7H8 cycloheptatriene cht  
2031 C7H8 Norbornadiene norbor  
2032 C7H8 Quadricyclane qucy  
2033 C7H12 Norbornane nor  
2034 C7H14 cycloheptane c7h14  
2035 C7H16 2-methylhexane 2mhex  
2036 C7H16 3-methylhexane hex3m  
2037 C7H16 heptane heptane  
2038 CH(CN)3 tricyanomethane mecn3  
2039 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2040 C6H7N 2-Methylpyridine mp  
2041 C6H5NH2 aniline aniline  
2042 C6H13N 2-Methylpiperidine pip2m  
2043 C6H13N cyclohexanamine cham  
2044 C6H15N triethylamine tea  
2045 N2O5 Dinitrogen pentoxide n2o5  
2046 C4H2O3 Maleic Anhydride malan  
2047 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2048 C5H4O2 furfural furfural  
2049 C6H5O phenoxy radical phenoxy  
2050 C5H5NO 2(1H)-Pyridinone c72762006  
2051 C5H5NO 2(3H)-Pyridinone c9000048  
2052 C5H5NO 2(5H)-Pyridinone c9000037  
2053 C5H5NO 2-Pyridinol c109104  
2054 C5H5NO 3(2H)-Pyridinone c9000004  
2055 C5H5NO 3(4H)-Pyridinone c9000026  
2056 C5H5NO 3(6H)-Pyridinone c9000015  
2057 C5H5NO 3-Pyridinol c109002  
2058 C5H5NO 4(1H)-Pryidinone c9000060  
2059 C5H5NO 4(3H)-Pryidinone c9000059  
2060 C5H5NO 4-Pyridinol c626642  
2061 C6H5OH phenol phenol  
2062 C6H6O 2,4-Cyclohexadienone c24599573  
2063 C6H6O 2,5-Cyclohexadienone c5664335  
2064 C6H5SH Benzenethiol phsh  
2065 HO2CCHNH2CH2OH Serine serine  
2066 C5H8O2 Acetylacetone acac  
2067 C4H8O2S Sulfolane sulfolane  
2068 C7H10 Norbornene norbornene  
2069 CH(C2H3)3 trivinyl methane tvm  
2070 C6H10O cyclohexanone chexo  
2071 C6H12O hexanal c6h12o  
2072 C6H12O Oxepane oxepane  
2073 C3H7OC3H7 di-n-propyl ether propr  
2074 F2CCCF2 tetrafluoroallene pfa  
2075 CF3COO- trifluoro acetate anion cf3coo-  
2076 CF3COF trifluoroacetyl fluoride cf3cof  
2077 CF3COCl trifluoroacetyl chloride cf3cocl  
2078 PF6 Hexafluorophosphate neutral pf6  
2079 PF6- Hexafluorophosphate ion pf6-  
2080 SF6 Sulfur Hexafluoride sf6  
2081 SeF6 Selenium hexafluoride sef6  
2082 SF5Cl sulfur chloropentafluoride sf5cl  
2083 CF3CHF2 pentafluoroethane cf3chf2  
2084 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2085 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2086 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2087 CCl3CHCl2 pentachloroethane ccl3chcl2  
2088 C6H5F Fluorobenzene bzf  
2089 C6H5Cl chlorobenzene bzcl  
2090 C6H5Br bromobenzene bzbr  
2091 C8H6 Calicene calicene  
2092 C6H5CCH phenylacetylene phac  
2093 C8H6 benzocyclobutadiene bcbd  
2094 C8H6 Pentalene pentalene  
2095 C6H5CHCH2 Styrene styrene  
2096 C8H8 cubane cubane  
2097 C8H8 cyclooctatetraene cot  
2098 C6H5CH2CH3 Ethylbenzene etbz  
2099 CH3C6H4CH3 meta-xylene mxylene  
2100 CH3C6H4CH3 paraxylene pxylene  
2101 C8H14 Bicyclo[2.2.2]octane bico222  
2102 C8H16 cyclooctane cyclooct  
2103 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2104 C8H18 Octane c8h18  
2105 C6H5CN phenyl cyanide phcn  
2106 C6H12N2 Triethylenediamine ted  
2107 C4O4-- squarate dianion c4o4--  
2108 S4N4 Tetrasulfur tetranitride s4n4  
2109 S8 Octasulfur s8  
2110 C6H4O2 parabenzoquinone pbq  
2111 C4H4N2O2 Uracil uracil  
2112 C6H5CHO benzaldehyde benzal  
2113 C6H5OCH3 Anisole anisole  
2114 C5H9NO2 Proline proline  
2115 C6H12O2 Methyl pivalate c598981  
2116 C6H12O2 Hexanoic acid hexa  
2117 C4F4 tetrafluorcyclobutadiene c4f4  
2118 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2119 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2120 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2121 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2122 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2123 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2124 C2F6 hexafluoroethane c2f6  
2125 C2Cl6 hexachloroethane c2cl6  
2126 IF7 Iodine heptafluoride if7  
2127 C6H4F2 metadifluorobenzene mdfb  
2128 C6H4F2 orthodifluorobenzene odfb  
2129 C6H4F2 1,4-difluorobenzene pdfb  
2130 C6H4Cl2 1,2-dichlorobenzene dcb12  
2131 C6H4Cl2 1,3-dichlorobenzene dcb13  
2132 C6H4Cl2 1,4-dichlorobenzene dcb14  
2133 C6H5NO nitrosobenzene bzno  
2134 C9H8 Indene indene  
2135 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2136 C9H12 n-propyl benzene prbz  
2137 C9H20 Nonane nonane  
2138 C(CN)4 tetracyanomethane c5n4  
2139 C5H4N4 purine purine  
2140 C8H7N Indole indole  
2141 C3H3N3O3 cyanuric acid cyanuric  
2142 C6H5NO2 Nitrobenzene c6h5no2  
2143 C6H5COOH benzoic acid benzo  
2144 CH3COC6H5 acetophenone acph  
2145 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2146 C3F6 hexafluoropropene c3f6  
2147 C6H3F3 Benzene trifluoride 123 bzf3a  
2148 C8H18O 1-Octanol octanol  
2149 C10H8 Azulene azu  
2150 C10H8 naphthalene naph  
2151 C10H10 bullvalene bullv  
2152 C10H16 adamantane adamantane  
2153 C6N4 Tetracyanoethylene tcne  
2154 C6N4- tetracyanoethylene anion tcne-  
2155 C10H22 Decane decane  
2156 C4F6 perfluorobutadiene c4f6  
2157 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2158 C3F8 perfluoropropane c3f8  
2159 Fe(CO)5 Iron pentacarbonyl ipc  
2160 Fe(C5H5)2 ferrocene fecp2  
2161 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2162 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2163 C12H8 Acenaphthylene acenaph  
2164 C12H8 biphenylene biph  
2165 C12H10 biphenyl biphenyl  
2166 C12H10 Heptalene heptalene  
2167 C6H12O6 Inositol inositol  
2168 C6F6 hexafluorobenzene c6f6  
2169 S2F10 disulphur decafluoride s2f10  
2170 C13H10 Fluorene fluorene  
2171 C14H10 Anthracene anth  
2172 C14H10 Phenanthrene phenanthrene  
2173 C14H14 Bibenzyl bibenzyl  
2174 C12H10N2 azobenzene azobenzene  
2175 C6H5COC6H5 benzophenone benzophenone  
2176 C16H10 Pyrene pyrene  
2177 C18H12 Tetracene tetracene  
2178 C19H16 Triphenylmethane tpm  
2179 C24H12 Coronene coronene  
2180 C60 Buckminsterfullerene c60