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 CCSD=FULL /STO-3G

Jump to calculations not yet done
count Species Name State Conformation
1 Li Lithium atom 2SKh
2 Li+ Lithium atom cation 1SKh
3 Na Sodium atom 2SKh
4 Na+ Sodium atom cation 1SKh
5 LiH Lithium Hydride 1ΣC∞v
6 Be+ Beryllium atom cation 2SKh
7 Mg Magnesium atom 1SKh
8 Mg+ Magnesium atom cation 2SKh
9 B Boron atom 2PKh
10 B Boron atom 4PKh
11 Al Aluminum atom 2PKh
12 Al+ Aluminum atom cation 1SKh
13 C Carbon atom 3P0Kh
14 C+ Carbon atom cation 2PKh
15 Si Silicon atom 3PKh
16 Si Silicon atom 1SKh
17 Si+ Silicon atom cation 2PKh
18 CH4 Methane 1A1Td
19 N Nitrogen atom 2DKh
20 N+ Nitrogen atom cation 3PKh
21 P Phosphorus atom 4SKh
22 NH3 Ammonia 1A1C3v
23 S Sulfur atom 3PKh
24 OH Hydroxyl radical 2ΠC∞v
25 H2O Water 1A1C2v
26 F Fluorine atom 2PKh
27 Cl+ Chlorine atom cation 3PKh
28 HF Hydrogen fluoride 1ΣC∞v
29 HCl Hydrogen chloride 1ΣC∞v
30 Na2 Sodium diatomic 1ΣgD∞h
31 C2H2 Acetylene 1ΣgD∞h
32 C2H4 Ethylene 1AgD2h
33 C2H6 Ethane 1A1gD3d
34 N2 Nitrogen diatomic 1ΣgD∞h
35 CO Carbon monoxide 1ΣC∞v
36 NO Nitric oxide 2ΠC∞v
37 O2 Oxygen diatomic 3ΣgD∞h
38 H2CO Formaldehyde 1A1C2v
39 BF Boron monofluoride 1ΣC∞v
40 F2 Fluorine diatomic 1ΣgD∞h
41 Cl2 Chlorine diatomic 1ΣgD∞h
42 C3H5 Allyl radical 2A2C2v
43 C3H6 Cyclopropane 1A1'D3h
44 CH2CHCH3 Propene 1A'Cs
45 CO2 Carbon dioxide 1ΣgD∞h
46 SO2 Sulfur dioxide 1A1C2v
47 BF3 Borane, trifluoro- 1A'D3h
48 AlF3 Aluminum trifluoride 1A1'D3h
49 NI3 Nitrogen triiodide   

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 anion li-  
20 Na- Sodium atom anion na-  
21 K Potassium atom k  
22 K- Potassium atom anion k-  
23 K+ Potassium atom cation k+  
24 Cu Copper atom cu  
25 Cu- Copper atom anion cu-  
26 Cu+ Copper atom cation cu+  
27 LiH- lithium hydride anion lih-  
28 LiH+ lithium hydride cation lih+  
29 NaH sodium hydride nah  
30 NaH- sodium hydride anion nah-  
31 NaH+ sodium hydride cation nah+  
32 KH Potassium hydride kh  
33 KH+ Potassium hydrogen cation kh+  
34 CuH Copper monohydride cuh  
35 Be Beryllium atom be  
36 Be- Beryllium atom anion be-  
37 Mg- Magnesium atom anion mg-  
38 Ca Calcium atom ca  
39 Ca- Calcium atom anion ca-  
40 Ca+ Calcium atom cation ca+  
41 Zn Zinc atom zn  
42 Zn- Zinc atom anion zn-  
43 Zn+ Zinc atom cation zn+  
44 BeH beryllium monohydride beh  
45 BeH- berylium monohydride anion beh-  
46 BeH+ beryllium monohydride cation beh+  
47 MgH magnesium monohydride mgh  
48 MgH- magnesium monohydride anion mgh-  
49 MgH+ magnesium monohydride cation mgh+  
50 CaH Calcium monohydride cah  
51 CaH+ Calcium monohydride cation cah+  
52 TiH Titanium monohydride tih  
53 ZnH Zinc monohydride znh  
54 ZnH+ Zinc, protonated znh+  
55 BeH2 beryllium dihydride beh2  
56 BeH2+ Beryllium dihydride cation beh2+  
57 MgH2 magnesium dihydride mgh2  
58 CaH2 Calcium Hydride cah2  
59 ZnH2 Zinc hydride znh2  
60 B- Boron atom anion b-  
61 B+ Boron atom cation b+  
62 Al- Aluminum atom anion al-  
63 Sc Scandium atom sc  
64 Sc+ Scandium cation sc+  
65 Ga Gallium atom ga  
66 Ga- Gallium atom anion ga-  
67 Ga+ Gallium atom cation ga+  
68 BH Boron monohydride bh  
69 BH- boron monohydride anion bh-  
70 BH+ boron monohydride cation bh+  
71 AlH aluminum monohydride alh  
72 AlH- aluminum monohydride anion alh-  
73 AlH+ aluminum monohydride cation alh+  
74 ScH Scandium monohydride sch  
75 ScH+ Scandium monohydride cation sch+  
76 GaH Gallium monohydride gah  
77 GaH+ Gallium monohydride cation gah+  
78 BH2 boron dihydride bh2  
79 BH2- boron dihydride anion bh2-  
80 BH2+ Boron dihydride cation bh2+  
81 AlH2 aluminum dihydride alh2  
82 AlH2- aluminum dihydride anion alh2-  
83 AlH2+ aluminum dihydride cation alh2+  
84 BH3 boron trihydride bh3  
85 BH3- boron trihydride anion bh3-  
86 BH3+ boron trihydride cation bh3+  
87 AlH3 aluminum trihydride alh3  
88 AlH3- aluminum trihydride anion alh3-  
89 AlH3+ aluminum trihydride cation alh3+  
90 ScH3 Scandium trihydride sch3  
91 GaH3 Gallium trihydride gah3  
92 BH4 borohydride bh4  
93 BH4- borohydride anion bh4-  
94 AlH4- Aluminum tetrahydride anion alh4-  
95 C- Carbon atom anion c-  
96 Si- Silicon atom anion si-  
97 Ti Titanium atom ti  
98 Ti- Titanium atom anion ti-  
99 Ti+ Titanium atom cation ti+  
100 Ge Germanium atom ge  
101 Ge- Germanium anion ge-  
102 Ge+ Germanium cation ge+  
103 Sn Tin atom sn  
104 Sn+ Tin cation sn+  
105 CH Methylidyne ch  
106 CH- methylidyne anion ch-  
107 CH+ Methylidyne cation ch+  
108 SiH Silylidyne sih  
109 SiH- silicon monohydride anion sih-  
110 SiH+ silicon monohydride cation sih+  
111 GeH germylidene geh  
112 GeH+ Germaniun monohyrdide cation geh+  
113 CH2 Methylene ch2  
114 CH2- methylene anion ch2-  
115 CH2+ methylene cation ch2+  
116 SiH2 silicon dihydride sih2  
117 SiH2- silicon dihydride anion sih2-  
118 SiH2+ silicon dihydride cation sih2+  
119 GeH2 germylene geh2  
120 GeH2- germylene anion geh2-  
121 CH3 Methyl radical ch3  
122 CH3- methyl anion ch3-  
123 CH3+ methyl cation ch3+  
124 SiH3 Silyl radical sih3  
125 SiH3- Silyl anion sih3-  
126 SiH3+ Silyl cation sih3+  
127 GeH3 Germyl radical geh3  
128 GeH3+ germyl cation geh3+  
129 CD4 methane-d4 cd4  
130 CH2D2 methane-d2 ch2d2  
131 CH3D methane-d ch3d  
132 CH4- Methane anion ch4-  
133 CH4+ Methane cation ch4+  
134 CHD3 methane-d3 chd3  
135 SiH2D2 silane-d2 sih2d2  
136 SiH4 Silane sih4  
137 SiH4+ Silane cation sih4+  
138 GeH4 Germane geh4  
139 SnH4 Stannane snh4  
140 SiH5+ Silane, protonated sih5+  
141 N Nitrogen atom n  
142 N- Nitrogen atom anion n-  
143 P- Phosphorus atom anion p-  
144 P+ Phosphorus atom cation p+  
145 V Vanadium atom v  
146 V+ Vanadium atom cation v+  
147 As Arsenic atomic as  
148 As- Arsenic anion as-  
149 As+ Arsenic cation as+  
150 Sb Antimony atom sb  
151 NH Imidogen nh  
152 NH- Imidogen anion nh-  
153 NH+ imidogen cation nh+  
154 PH phosphorus monohydride ph  
155 PH- phosphorus monohydride anion ph-  
156 PH+ phosphorus monohydride cation ph+  
157 AsH Arsenic monohydride ash  
158 AsH+ Arsenic monohydride cation ash+  
159 SbH Antimony monohydride sbh  
160 ND2 Amidogen-d2 nd2  
161 NH2 Amino radical nh2  
162 NH2- amino anion nh2-  
163 NH2+ Amino cation nh2+  
164 PH2 Phosphino radical ph2  
165 PH2- Phosphino anion ph2-  
166 PH2+ Phosphino cation ph2+  
167 AsH2 Arsenic dihydride ash2  
168 AsH2+ Arsenic dihydride cation ash2+  
169 ND3 Ammonia-d3 nd3  
170 NH3- Ammonia anion nh3-  
171 NH3+ ammonia cation nh3+  
172 PH3 Phosphine ph3  
173 PH3+ Phosphine cation ph3+  
174 AsH3 Arsine ash3  
175 AsH3+ Arsine cation ash3+  
176 SbH3 Stibine sbh3  
177 AsH4+ Arsonium ash4+  
178 NH4 Ammonium radical nh4  
179 NH4+ ammonium cation nh4+  
180 PH4 Phosphoranyl radical ph4  
181 PH4+ phosphonium cation ph4+  
182 O Oxygen atom o  
183 O- Oxygen atom anion o-  
184 O+ Oxygen atom cation o+  
185 S- Sulfur atom anion s-  
186 S+ Sulfur atom cation s+  
187 Cr Chromium atom cr  
188 Se Selenium atom se  
189 Se- Selenium atom anion se-  
190 Se+ Selenium atom cation se+  
191 Te Tellurium atom te  
192 Te+ Tellurium atom cation te+  
193 DO Hydroxyl-d od  
194 OH- hydroxide anion oh-  
195 OH+ hydoxyl cation oh+  
196 DS Mercapto-d ds  
197 HS Mercapto radical hs  
198 HS- mercapto anion sh-  
199 HS+ sulfur monohydride cation sh+  
200 CrH Chromium hydride crh  
201 CrH+ Chromium hydride cation crh+  
202 HSe Selenium monohydride hse  
203 HSe- selenium monohydride anion hse-  
204 HSe+ selenium monohydride cation hse+  
205 TeH Telluryl radical teh  
206 D2O Deuterium oxide d2o  
207 H2O- water anion h2o-  
208 H2O+ water cation h2o+  
209 HDO Water-d1 hdo  
210 D2S Hydrogen sulfide-d2 d2s  
211 H2S Hydrogen sulfide h2s  
212 H2S- Hydrogen sulfide anion h2s-  
213 H2S+ Hydrogen sulfide cation h2s+  
214 H2Se Hydrogen selenide h2se  
215 H2Se+ Hydrogen selenide cation h2se+  
216 H2Te Hydrogen Telluride h2te  
217 H3O+ hydronium cation h3o+  
218 H3S+ Sulfonium cation h3s+  
219 H3Se+ Hydrogen Selenide, protonated h3se+  
220 F- Fluorine atom anion f-  
221 F+ Fluorine atom cation f+  
222 Cl Chlorine atom cl  
223 Cl- Chlorine atom anion cl-  
224 Mn Manganese atom mn  
225 Br Bromine atom br  
226 Br- Bromine atom anion br-  
227 Br+ Bromine atom cation br+  
228 I Iodine atom iodine  
229 I- Iodine atom anion iodine-  
230 I+ Iodine atom cation iodine+  
231 DF Hydrofluoric acid-d df  
232 HF- hydrogen fluoride anion hf-  
233 HF+ hydrogen fluoride cation hf+  
234 DCl Hydrochloric acid-d dcl  
235 HCl- hydrogen chloride anion hcl-  
236 HCl+ hydrogen chloride cation hcl+  
237 HBr hydrogen bromide hbr  
238 HBr- hydrogen bromide anion hbr-  
239 HBr+ hydrogen bromide cation hbr+  
240 HI Hydrogen iodide hi  
241 HI+ Hydrogen iodide cation hi+  
242 H2F+ dihydrogen fluoride cation h2f+  
243 H2Cl+ dihydrogen monochloride cation h2cl+  
244 H2Br+ protonated hydrogen bromide h2br+  
245 H2I+ Iodonium h2i+  
246 Ne Neon atom ne  
247 Ne- Neon atom anion ne-  
248 Ne+ Neon atom cation ne+  
249 Ar Argon atom ar  
250 Ar- Argon atom anion ar-  
251 Ar+ Argon atom cation ar+  
252 Fe Iron atom fe  
253 Kr Krypton atom kr  
254 Kr+ Krypton cation kr+  
255 Xe Xenon atom xe  
256 HeLi+ Helium Lithium cation heli+  
257 NeH neon hydrogen neh  
258 NeH+ neon hydrogen cation neh+  
259 ArH+ Argon hydride cation arh+  
260 KrH+ Protonated Krypton krh+  
261 XeH+ Xenon, protonated xeh+  
262 H2Ar H2 Ar dimer h2ar  
263 Co Cobalt atom cobalt  
264 Ni Nickel atom ni  
265 Li2 Lithium diatomic li2  
266 Li2- lithium diatomic anion li2-  
267 Li2+ lithium diatomic cation li2+  
268 NaLi lithium sodium lina  
269 NaLi- lithium sodium anion lina-  
270 NaLi+ lithium sodium cation lina+  
271 LiK Lithium Potassium lik  
272 Na2- sodium diatomic anion na2-  
273 Na2+ sodium diatomic cation na2+  
274 NaK Sodium Potassium nak  
275 NaK+ Sodium Potassium diatomic cation nak+  
276 K2 Potassium diatomic k2  
277 Cu2 Copper diatomic cu2  
278 LiBe Lithium Beryllium libe  
279 LiMg Lithium magnesium limg  
280 NaBe Sodium Beryllium nabe  
281 NaMg Sodium Magnesium namg  
282 Be2 Beryllium diatomic be2  
283 Be2- Beryllium diatomic anion be2-  
284 Be2+ Beryllium diatomic cation be2+  
285 BeMg Beryllium Magnesium bemg  
286 Mg2 Magnesium diatomic mg2  
287 Mg2- magnesium diatomic anion mg2-  
288 Mg2+ magnesium diatomic cation mg2+  
289 Ca2 Calcium diatomic ca2  
290 LiB Lithium boride lib  
291 LiAl Lithium Aluminum lial  
292 NaAl Sodium aluminum naal  
293 BeB Beryllium monoboride beb  
294 B2 Boron diatomic b2  
295 B2- Boron diatomic anion b2-  
296 B2+ Boron diatomic cation b2+  
297 BAl Boron Aluminum bal  
298 Al2 Aluminum diatomic al2  
299 Al2- aluminum diatomic anion al2-  
300 Al2+ aluminum diatomic cation al2+  
301 BGa Boron Gallium bga  
302 AlGa Aluminum Gallium alga  
303 Ga2 Gallium diatomic ga2  
304 HBBH Diborane(2) hbbh  
305 LiBH4 Lithium borohydride libh4  
306 B2H4 Diborane(4) D2d b2h4  
307 HBHHBH Diborane(4) C2V hbhhbh  
308 B2H6 Diborane b2h6  
309 B2H6+ Diborane cation b2h6  
310 Al2H6 dialane al2h6  
311 Ga2H6 digallane ga2h6  
312 LiC Lithium Carbide lic  
313 BeC Beryllium Carbide bec  
314 CaC Calcium monocarbide cac  
315 BC boron monocarbide bc  
316 BC- boron monocarbide anion bc-  
317 BC+ boron monocarbide cation bc+  
318 AlC Aluminum carbide alc  
319 BSi Boron silicide bsi  
320 C2 Carbon diatomic c2  
321 C2- carbon diatomic anion c2-  
322 C2+ carbon diatomic cation c2+  
323 SiC silicon monocarbide sic  
324 SiC- silicon monocarbide anion sic-  
325 SiC+ silicon monocarbide cation sic+  
326 Si2 Silicon diatomic si2  
327 Si2- silcon diatomic anion si2-  
328 Si2+ silcon diatomic cation si2+  
329 GeC Germanium monocarbide gec  
330 SiGe Silicon Germanium sige  
331 Ge2 Germanium diatomic ge2  
332 C2H Ethynyl radical c2h  
333 C2H- Ethynyl anion c2h-  
334 C2H+ Ethynyl cation c2h+  
335 ZnCH2 Zinc methylene znch2  
336 C2H2+ acetylene cation c2h2+  
337 CCH2 vinylidene vinylidene  
338 H2CC- vinylidene anion h2cc-  
339 HCCH- acetylene anion c2h2-  
340 Si2H2 disilyne si2h2  
341 CH3Li methyl lithium ch3li  
342 CuCH3 monomethyl copper cuch3  
343 ZnCH3 Zinc monomethyl znch3  
344 CH2BH methyleneborane ch2bh  
345 C2H3 vinyl c2h3  
346 C2H3- vinyl anion c2h3-  
347 C2H3+ vinyl cation c2h3+  
348 C2H4- Ethylene anion c2h4-  
349 C2H4+ Ethylene cation c2h4+  
350 CH3CH methylmethylene ch3ch  
351 CH2SiH2 silaethylene ch2sih2  
352 Si2H4 Disilene si2h4  
353 CH3BH2 methylborane ch3bh2  
354 C2H5 Ethyl radical c2h5  
355 C2H5- Ethyl anion c2h5-  
356 C2H5+ Ethyl cation c2h5+  
357 C2H6+ ethane cation c2h6+  
358 CH3SiH3 methyl silane ch3sih3  
359 Si2H6 disilane si2h6  
360 GeH3CH3 methyl germane geh3ch3  
361 C2H7+ Ethane, protonated c2h7+  
362 LiN Lithium Nitride lin  
363 LiN+ Lithium Nitride cation lin+  
364 LiP Lithium monophosphide lip  
365 BeN Beryllium mononitride ben  
366 BeN- Beryllium mononitride anion ben-  
367 BeN+ Beryllium mononitride cation ben+  
368 MgN Magnesium Nitride mgn  
369 BN- boron nitride anion bn-  
370 AlN- aluminum mononitride anion aln-  
371 AlN+ aluminum mononitride cation aln+  
372 BP Boron monophosphide bp  
373 AlP Aluminum monophosphide alp  
374 GaN Gallium mononitride gan  
375 GaP Gallium monophosphide gap  
376 GaAs Gallium arsenide gaas  
377 BN boron nitride bn  
378 BN+ boron nitride cation bn+  
379 AlN Aluminum nitride aln  
380 CN Cyano radical cn  
381 CN- cyanide anion cn-  
382 CN+ Cyano cation cn+  
383 CP Carbon monophosphide cp  
384 CP- carbon monophosphide anion cp-  
385 CP+ carbon monophosphide cation cp+  
386 SiN Silicon nitride sin  
387 SiN- silicon mononitride anion sin-  
388 SiN+ silicon mononitride cation sin+  
389 SiP Silicon monophosphide sip  
390 SiP- Silicon monophosphide anion sip-  
391 SiP+ Silicon monophosphide cation sip+  
392 TiN Titanium mononitride tin  
393 N2- nitrogen diatomic anion n2-  
394 N2+ diatomic nitrogen cation n2+  
395 PN Phosphorus mononitride pn  
396 PN- phosphorus nitride anion pn-  
397 PN+ phosphorus nitride cation pn+  
398 P2 Phosphorus diatomic p2  
399 P2- phosphorus diatomic anion p2-  
400 P2+ phosphorus diatomic cation p2+  
401 AsN Arsenic mononitride asn  
402 AsP Arsenic monophosphide asp  
403 SbN Antimony nitride sbn  
404 As2 Arsenic diatomic as2  
405 HNB hydrogen nitrogen boron hnb  
406 HNC hydrogen isocyanide hnc  
407 HCN Hydrogen cyanide hcn  
408 HCN- Hydrogen cyanide anion hcn-  
409 HCN+ hydrogen cyanide cation hcn+  
410 HNC+ hydrogen isocyanide cation hnc+  
411 HCP Phosphaethyne hcp  
412 HCP+ Phosphaethyne cation hcp+  
413 NNH Dinitrogen monohydride nnh  
414 NNH+ Dinitrogen monohydride cation nnh+  
415 HPO Hydrogen phosphorus oxide hpo  
416 HPO+ Hydrogen phosphorus oxide cation hpo+  
417 LiNH2 lithium amide linh2  
418 HBNH Boranimine hbnh  
419 CNH2 Aminomethylidyne radical cnh2  
420 CNH2+ N-protonated hydrogen isocyanide cnh2+  
421 H2CN Dihydrogen cyanide radical h2cn  
422 H2CN+ hydrocyanonium cation h2cn+  
423 HCNH methyleneazane hcnh  
424 HCNH+ N-protonated HCN hcnh+  
425 H2NN Isodiazene h2nn  
426 N2H2 (E)-diazene n2h2  
427 N2H2 (Z)-Diazene n2h2z  
428 N2H2+ trans-diazene cation n2h2+  
429 CH2NH Methanimine ch3n  
430 CH2NH+ Methanimine cation ch2nh+  
431 CHNH2 aminomethylene chnh2  
432 CHNH2+ Aminocarbene cation chnh2+  
433 CH2PH Phosphaethene ch3p  
434 BH2NH2 Boranamine bh2nh2  
435 CH2NH2+ methyleneamine cation ch2nh2+  
436 N2H4 Hydrazine n2h4  
437 N2H4+ hydrazine cation n2h4+  
438 P2H4 Diphosphine p2h4  
439 CH3NH2 methyl amine ch3nh2  
440 CH3NH2+ methyl amine cation ch3nh2+  
441 CH3PH2 Methyl phosphine ch3ph2  
442 SiH3NH2 Silane, amino sih3nh2  
443 N2H5+ protonated hydrazine n2h5+  
444 BH3PH3 borane phosphine bh3ph3  
445 BH3NH3 borane ammonia bh3nh3  
446 CH3NH3 methyl ammonium radical ch3nh3  
447 CH3NH3+ protonated methylamine ch3nh3+  
448 CH3PH3+ methyl phosphine, protonated ch3ph3+  
449 NH3NH3 Ammonia Dimer nh3nh3  
450 N2H7+ ammonia ammonium dimer n2h7+  
451 LiO lithium oxide lio  
452 LiO- lithium oxide anion lio-  
453 LiO+ lithium oxide cation lio+  
454 LiS Lithium monosulfide lis  
455 LiS+ Lithium sulfide cation lis+  
456 NaO sodium monoxide nao  
457 NaO- sodium oxide anion nao-  
458 NaO+ sodium oxide cation nao+  
459 KO Potassium monoxide ko  
460 KO+ Potassium monoxide cation ko+  
461 NaS Sodium sulfide nas  
462 CuO Copper Monoxide cuo  
463 LiSe Lithium monoselenide lise  
464 BeO beryllium oxide beo  
465 BeO- Beryllium monoxide anion beo-  
466 BeO+ Beryllium monoxide cation beo+  
467 BeS beryllium sulfide bes  
468 MgO magnesium oxide mgo  
469 MgO- magnesium oxide anion mgo-  
470 MgO+ magnesium oxide cation mgo+  
471 CaO Calcium monoxide cao  
472 MgS magnesium sulfide mgs  
473 MgS- magnesium sulfide anion mgs-  
474 MgS+ magnesium sulfide cation mgs+  
475 CaS Calcium sulfide cas  
476 ZnO zinc monoxide zno  
477 ZnS Zinc sulfide zns  
478 BeS- Beryllium monosulfide anion bes-  
479 BeS+ Beryllium monosulfide cation bes+  
480 BO boron monoxide bo  
481 BO- boron monoxide anion bo-  
482 AlO Aluminum monoxide alo  
483 AlO- Aluminum monoxide anion alo-  
484 AlO+ aluminum monoxide cation alo+  
485 BS boron sulfide bs  
486 BS- boron monosulfide anion bs-  
487 BS+ boron monosulfide cation bs+  
488 AlS Aluminum sulfide als  
489 AlS- aluminum monosulfide anion als-  
490 AlS+ aluminum monosulfide cation als+  
491 ScO Scandium monoxide sco  
492 GaO Gallium monoxide gao  
493 GaS Gallium monosulfide gas  
494 BO+ boron monoxide cation bo+  
495 CO- carbon monoxide anion co-  
496 CO+ carbon monoxide cation co+  
497 CS carbon monosulfide cs  
498 CS- carbon monosulfide anion cs-  
499 CS+ carbon monosulfide cation cs+  
500 SiO Silicon monoxide sio  
501 SiO- silicon monoxide anion sio-  
502 SiO+ silicon monoxide cation sio+  
503 SiS silicon monosulfide sis  
504 SiS- silicon monosulfide anion sis-  
505 SiS+ silicon monosulfide cation sis+  
506 TiO Titanium monoxide tio  
507 CSe Carbon monoselenide cse  
508 CSe- Carbon monoselenide anion cse-  
509 CSe+ Carbon monoselenide cation cse+  
510 GeO Germanium monoxide geo  
511 GeO+ Germanium monoxide cation geo+  
512 GeS Germanium monosulfide ges  
513 SiSe Silicon Monoselenide sise  
514 SiSe+ Silicon Monoselenide cation sise+  
515 GeSe Germanium monoselenide gese  
516 NO- nitric oxide anion no-  
517 NO+ nitric oxide cation no+  
518 NS Mononitrogen monosulfide ns  
519 NS- nitrogen sulfide anion ns-  
520 NS+ nitrogen sulfide cation ns+  
521 PO Phosphorus monoxide po  
522 PO- phosphorus monoxide anion po-  
523 PO+ phosphorus monoxide cation po+  
524 PS phosphorus sulfide ps  
525 PS- phosphorus monosulfide anion ps-  
526 PS+ phosphorus monosulfide cation ps+  
527 VO Vanadium monoxide vo  
528 AsO Arsenic monoxide aso  
529 NSe Nitrogen monoselenide nse  
530 AsS Arsenic monosulfide ass  
531 PSe Phosphorus monoselenide pse  
532 AsSe Arsenic monoselenide asse  
533 O2- oxygen diatomic anion o2-  
534 O2-- dioxygen dianion o2--  
535 O2+ diatomic oxygen cation o2+  
536 SO Sulfur monoxide so  
537 SO- sulfur monoxide anion so-  
538 SO+ sulfur monoxide cation so+  
539 S2 Sulfur diatomic s2  
540 S2- sulfur diatomic anion s2-  
541 S2+ sulfur diatomic cation s2+  
542 SeO Selenium monoxide seo  
543 SeO- selenium monoxide anion seo-  
544 SeO+ selenium monoxide cation seo+  
545 SeS Selenium monosulfide ses  
546 SeS- selenium monosulfide anion ses-  
547 SeS+ selenium monosulfide cation ses+  
548 TeO Tellurium monoxide teo  
549 Se2 Selenium diatomic se2  
550 Se2- selenium diatomic anion se2-  
551 Se2+ selenium diatomic cation se2+  
552 Te2 Tellurium diatomic te2  
553 LiOH lithium hydroxide lioh  
554 NaOH sodium hydroxide naoh  
555 KOH Potassium hydroxide koh  
556 BeOH beryllium monohydroxide beoh  
557 MgOH magnesium hydroxide mgoh  
558 CaOH Calcium monohydroxide caoh  
559 HBO Boron hydride oxide hbo  
560 HBS hydrogen boron sulfide hbs  
561 COH Hydroxymethylidyne coh  
562 COH+ Carbon Monoxide, protonated coh+  
563 HCO Formyl radical hco  
564 HCO- formyl anion hco-  
565 HCO+ Formyl cation hco+  
566 HCS Thioformyl radical hcs  
567 HCS- Thioformyl anion hcs-  
568 HCS+ Thioformyl cation hcs+  
569 HNO Nitrosyl hydride hno  
570 HNO- Nitrosyl hydride anion hno-  
571 HNO+ Nitrosyl hydride cation hno+  
572 NOH Hydroxyimidogen noh  
573 NOH+ O-protonated nitric oxide noh+  
574 HNS Sulfur imide hns  
575 HNS- Sulfur imide anion hns-  
576 HO2 Hydroperoxy radical ho2  
577 HO2- Hydroperoxy anion ho2-  
578 HO2+ Hydroperoxy cation ho2+  
579 HSO+ Sulfur Monoxide, S-protonated HSO+  
580 SOH Sulfur Hydroxide soh  
581 SOH+ Sulfur Monoxide, protonated soh+  
582 HS2 Thiosulfeno radical hs2  
583 H2CO- formaldehyde anion h2co-  
584 H2CO+ formaldehyde cation h2co+  
585 HOCH hydroxycarbene hoch  
586 H2CS Thioformaldehyde h2cs  
587 H2CS- thioformaldehyde anion h2cs-  
588 H2CS+ thioformaldehyde cation h2cs+  
589 H2CSe Selenoformaldehyde h2cse  
590 H2NO nitroxide h2no  
591 H2O2 Hydrogen peroxide h2o2  
592 H2O2+ Hydrogen peroxide cation h2o2+  
593 H2OO water oxide h2oo  
594 HOSH hydrogen thioperoxide hosh  
595 H2S2 Disulfane h2s2  
596 H2S2+ hydrogen disulfide cation h2s2+  
597 H2Se2 hydrogen diselenide h2se2  
598 CH2OH Hydroxymethyl radical ch2oh  
599 CH2OH+ hydroxymethyl cation ch2oh+  
600 CH3O Methoxy radical ch3o  
601 CH3O- methoxy anion ch3o-  
602 CH3O+ Methoxy cation ch3o+  
603 CH3S thiomethoxy ch3s  
604 H2CSH+ Thioformaldehyde, protonated h2csh+  
605 NH2OH hydroxylamine nh2oh  
606 NH2OH+ Hydroxylamine cation nh2oh+  
607 NH3O Ammonia Oxide nh3o  
608 H2POH Phosphinous acid h2poh  
609 H3PO Phosphine oxide h3po  
610 NH2SH Thiohydroxylamine nh2sh  
611 NH3S sulfidoazane nh3s  
612 H3O2+ hydrogen peroxide, protonated h3o2+  
613 CH3OH Methyl alcohol ch3oh  
614 CH3OH- Methyl alcohol anion ch3oh-  
615 CH3OH+ Methyl alcohol cation ch3oh+  
616 CH3SH Methanethiol ch3sh  
617 CH3SH+ Methanethiol cation ch3sh+  
618 SiH3OH silanol sih3oh  
619 CH3SeH Methane selenol ch3seh  
620 NH2OH2+ protonated hydroxylamine nh2oh2+  
621 NH3OH+ N-protonated hydroxylamine nh3oh+  
622 H2OH2O water dimer h2oh2o  
623 CH3OH2+ Methanol, protonated ch3oh2+  
624 CH3SH2+ protonated methylsulfide ch3sh2+  
625 H2ONH3 Water Ammonia Dimer h2onh3  
626 H5O2+ Dihydroxonium ion h5o2+  
627 LiF lithium fluoride lif  
628 LiCl lithium chloride licl  
629 LiCl- lithium chloride anion licl-  
630 LiCl+ lithium chloride cation licl+  
631 NaF sodium fluoride naf  
632 NaF- sodium fluoride anion naf-  
633 NaF+ sodium fluoride cation naf+  
634 KF Potassium Fluoride kf  
635 NaCl Sodium Chloride nacl  
636 NaCl- sodium chloride anion nacl-  
637 NaCl+ sodium chloride cation nacl+  
638 KCl Potassium Chloride kcl  
639 CuF Copper monofluoride cuf  
640 LiBr Lithium Bromide libr  
641 LiBr- lithium bromide anion libr-  
642 LiBr+ lithium bromide cation libr+  
643 CuCl Copper monochloride cucl  
644 NaBr Sodium Bromide nabr  
645 NaBr- sodium bromide anion nabr-  
646 NaBr+ sodium bromide cation nabr+  
647 KBr Potassium Bromide kbr  
648 LiI Lithium Iodide lii  
649 NaI Sodium Iodide nai  
650 KI Potassium Iodide ki  
651 LiF- lithium fluoride anion lif-  
652 LiF+ lithium fluoride cation lif+  
653 BeF Beryllium monofluoride bef  
654 BeF- Beryllium monofluoride anion bef-  
655 BeF+ Beryllium monofluoride cation bef+  
656 BeCl beryllium monochloride becl  
657 MgF Magnesium monofluoride mgf  
658 MgF- magnesium fluoride anion mgf-  
659 MgF+ magnesium fluoride cation mgf+  
660 CaF Calcium monofluoride caf  
661 MgCl magnesium monochloride mgcl  
662 MgCl- magnesium monochloride anion mgcl-  
663 MgCl+ magnesium monochloride cation mgcl+  
664 CaCl calcium monochloride cacl  
665 TiCl Titanium Monochloride ticl  
666 ZnF Zinc monofluoride znf  
667 ZnF- Zinc monofluoride anion znf-  
668 ZnF+ Zinc monofluoride cation znf+  
669 ZnCl Zinc monochloride zncl  
670 CaBr Calcium monobromide cabr  
671 BeCl- beryllium monochloride anion becl-  
672 BeCl+ beryllium monochloride cation becl+  
673 BF- Boron monofluoride anion bf-  
674 BF+ Boron monofluoride cation bf+  
675 AlF Aluminum monofluoride alf  
676 AlF- Aluminum monofluoride anion alf-  
677 AlF+ Aluminum monofluoride cation alf+  
678 BCl boron monochloride bcl  
679 BCl- boron monochloride anion bcl-  
680 BCl+ boron monochloride cation bcl+  
681 AlCl Aluminum monochloride alcl  
682 AlCl- aluminum monochloride anion alcl-  
683 AlCl+ aluminum monochloride cation alcl+  
684 ScF Scandium monofluoride scf  
685 BBr Boron monobromide bbr  
686 GaF Gallium monofluoride gaf  
687 GaF+ Gallium monofluoride cation gaf+  
688 AlBr Aluminum monobromide albr  
689 GaCl Gallium monochloride gacl  
690 GaCl+ Gallium monochloride cation gacl+  
691 AlI Aluminum monoiodide ali  
692 GaBr Gallium monobromide gabr  
693 CF Fluoromethylidyne cf  
694 CF- carbon monofluoride anion cf-  
695 CF+ carbon monofluoride cation cf+  
696 CCl carbon monochloride ccl  
697 CCl- carbon monochloride anion ccl-  
698 CCl+ carbon monochloride cation ccl+  
699 SiF silicon monofluoride sif  
700 SiF- silicon monofluoride anion sif-  
701 SiF+ silicon monofluoride cation sif+  
702 SiCl Clorosilylidyne sicl  
703 SiCl- silicon monochloride anion sicl-  
704 SiCl+ silicon monochloride cation sicl+  
705 CBr Carbon monobromide cbr  
706 GeF Germanium monofluoride gef  
707 GeF+ Germanium monofluoride cation gef+  
708 GeCl Germanium monochloride gecl  
709 GeCl+ Germanium monochloride cation gecl+  
710 SiBr Silicon monobromide sibr  
711 SiBr+ Silicon monobromide cation sibr+  
712 NF nitrogen fluoride nf  
713 NF- nitrogen monofluorine anion nf-  
714 NF+ nitrogen monofluoirde cation nf+  
715 NCl nitrogen monochloride ncl  
716 NCl- nitrogen monochloride anion ncl-  
717 NCl+ nitrogen monochloride cation ncl+  
718 PF phosphorus monofluoride pf  
719 PF- phosphorus monofluoride anion pf-  
720 PF+ phosphorus monofluoride cation pf+  
721 PCl phosphorus chloride pcl  
722 PCl- phosphorus monochloride anion pcl-  
723 PCl+ phosphorus monochloride cation pcl+  
724 AsF Arsenic monofluoride asf  
725 NBr nitrogen monobromide nbr  
726 AsCl Arsenic monochloride ascl  
727 PBr Phosphorus monobromide pbr  
728 SbF Antimony monofluoride sbf  
729 SbCl Antimony monochloride sbcl  
730 FO Oxygen monofluoride fo  
731 FO- flourine oxide anion fo-  
732 FO+ fluorine monoxide cation fo+  
733 ClO Monochlorine monoxide clo  
734 ClO- chlorine monoxide anion clo-  
735 ClO+ chlorine monoxide cation clo+  
736 SF Monosulfur monofluoride sf  
737 SF- sulfur monofluoride anion sf-  
738 SF+ sulfur monofluoride cation sf+  
739 SCl sulfur monochloride scl  
740 SCl- sulfur monochloride anion scl-  
741 SCl+ sulfur monochloride cation scl+  
742 BrO Bromine monoxide bro  
743 BrO- Bromine monoxide anion bro-  
744 BrO+ Bromine monoxide cation bro+  
745 SeF Selenium monofluoride sef  
746 SBr Sulfur monobromide radical sbr  
747 SBr+ Sulfur monobromide cation sbr+  
748 SeCl Selenium monochloride secl  
749 IO Iodine monoxide io  
750 SeBr Selenium monobromide sebr  
751 BrCl Bromine monochloride brcl  
752 F2- flourine diatomic anion f2-  
753 F2+ flourine diatomic cation f2+  
754 ClF Chlorine monofluoride clf  
755 ClF- clorine monofluoride anion clf-  
756 ClF+ clorine monofluoride cation clf+  
757 Cl2- chlorine diatomic anion cl2-  
758 Cl2+ chlorine diatomic cation cl2+  
759 BrF Bromine monofluoride brf  
760 BrF- bromine fluoride anion brf-  
761 BrF+ bromine fluoride cation brf+  
762 BrCl- bromine chloride anion brcl-  
763 BrCl+ bromine chloride cation brcl+  
764 IF Iodine monofluoride if  
765 Br2 Bromine diatomic br2  
766 Br2- bromine diatomic anion br2-  
767 Br2+ bromine diatomic cation br2+  
768 ICl Iodine monochloride icl  
769 IBr Iodine monobromide ibr  
770 I2 Iodine diatomic i2  
771 I2+ Iodine diatomic cation i2+  
772 HCF Fluoromethylene hcf  
773 HCCl Chloromethylene hccl  
774 HSiF fluorosilylene hsif  
775 HSiCl Chlorosilylene hsicl  
776 HSiBr monobromosilylene hsibr  
777 CHBr bromomethylene chbr  
778 HOF Hypofluorous acid hfo  
779 DOCl Hypochlorous acid-d docl  
780 HOCl hypochlorous acid hocl  
781 HOCl+ hypochlorous acid cation hocl+  
782 HOBr Hypobromous acid hobr  
783 HOBr+ Hypobromous acid cation hobr+  
784 HOI Hypoiodous acid hoi  
785 F2H+ Fluorine, protonated f2h+  
786 FHF Hydrogen difluoride fhf  
787 FHF- Hydrogen difluoride anion fhf-  
788 ClFH+ Chlorine fluoride, F-protonated clfh+  
789 FClH+ Chlorine fluoride, Cl-protonated fclh+  
790 Cl2H+ Chlorine, protonated cl2h+  
791 CH2Br bromomethyl radical ch2br  
792 CH2F fluoromethyl radical ch2f  
793 CH2F+ fluoromethyl cation ch2f+  
794 CH2Cl+ chloromethyl cation ch2cl+  
795 CH2Cl chloromethyl radical ch2cl  
796 NH2F monofluoroamine nh2f  
797 NH2Cl chloramine nh2cl  
798 H2F2 Hydrogen fluoride dimer h2f2  
799 CH3F+ methyl fluoride cation ch3f+  
800 CD3F methylfluoride-d3 cd3f  
801 CH3F Methyl fluoride ch3f  
802 CD3Cl methyl chloride d3 cd3cl  
803 CH3Cl Methyl chloride ch3cl  
804 CH3Cl+ Methyl chloride cation ch3cl+  
805 SiH3F monofluorosilane sih3f  
806 SiH3Cl chlorosilane sih3cl  
807 CH3Br methyl bromide ch3br  
808 GeH3F monofluorogermane geh3f  
809 GeH3Cl monochlorogermane geh3cl  
810 SiH3Br bromosilane sih3br  
811 CH3I methyl iodide ch3i  
812 SiH3I Silyl Iodide sih3i  
813 NH3Cl+ protonated monochloroammonia nh3cl+  
814 CH3ClH+ methyl chloride, protonated ch3clh+  
815 NH4Cl Ammonium chloride nh4cl  
816 LiNe+ Lithium Neon cation line+  
817 Ne2 Neon diatomic ne2  
818 Ne2+ Neon diatomic cation ne2+  
819 Ar2 Argon diatomic ar2  
820 Ar2+ Argon diatomic cation ar2+  
821 Li3 Lithium trimer li3  
822 Li3+ Lithium trimer cation li3+  
823 C3 carbon trimer c3  
824 C3+ carbon trimer cation c3+  
825 SiC2 Silicon dicarbide sic2  
826 C3H3 cyclopropenyl radical cpr  
827 C3H3 Propargyl radical propargyl  
828 C3H3- Propargyl anion c3h3-  
829 C3H3+ cyclopropenyl cation cpr+  
830 C3H3+ Propargyl cation c3h3+  
831 C3H4 cyclopropene cprop  
832 CH2CCH2 allene allene  
833 CH3CCH propyne propyne  
834 C3H5+ Allyl cation allyl+  
835 CH3CHCH 1-propenyl radical ch3chch  
836 Zn(CH3)2 dimethyl zinc dmz  
837 C3H7 n-Propyl radical npropyl  
838 C3H7+ cyclopropane, protonated c3h7+  
839 CH3CHCH3 Isopropyl radical isopropyl  
840 CH3CHCH3+ Isopropyl cation prop2yl+  
841 C3H8 Propane propane  
842 SiH2(CH3)2 dimethylsilane dms  
843 Si3H8 trisilane si3h8  
844 LiCN lithium cyanide licn  
845 NaCN Sodium Cyanide nacn  
846 KCN Potassium cyanide kcn  
847 CuCN Copper cyanide cucn  
848 ZnCN Zinc monocyanide zncn  
849 ZnNC Zinc isocyanide znnc  
850 AlCN Aluminum monocyanide alcn  
851 AlNC Aluminum isocyanide alnc  
852 CN2 3H-Diazirin-3-ylidene cn2  
853 CNN Diazocarbene cnn  
854 NCN Cyanoimidogen ncn  
855 N3 azide radical n3  
856 N3- azide anion n3-  
857 N3+ azide cation n3+  
858 HCCN cyanomethylene hccn  
859 HCNN diazomethyl radical hcnn  
860 HN3 hydrogen azide hn3  
861 HN3+ Hydrazoic acid cation hn3+  
862 HNCNH diiminomethane hncnh  
863 CH2N2 diazirine ch2n2  
864 CH2NN diazomethane ch2nn  
865 NH2CN cyanamide cyanamide  
866 HNNNH+ 1,2-Triazadienium n2h3+  
867 NH2NN+ hydrazoic acid, protonated nh2nn+  
868 CH3CN Acetonitrile ch3cn  
869 CH3CN- acetonitrile anion ch3cn-  
870 CH3CN+ Acetonitrile cation ch3cn+  
871 CH3NC methyl isocyanide ch3nc  
872 CHNCH2 2H-Azirine c157164  
873 CHNHCH 1H-Azirine chnhch  
874 H2CCNH Ethenimine ch2cnh  
875 H2CNCH methyleneaminomethylene ch2nch  
876 HCCNH2 Ethynamine hccnh2  
877 HCNCH2+ 2H-Azirine cation hcnch2+  
878 HNCNH2+ diiminomethane, protonated hncnh2+  
879 NCNH3+ Cyanamide, protonated ncnh3+  
880 NH2CNH+ cyanamide, cn protonated nh2cnh+  
881 NH3CN+ cyanamide, amine protonated nh3cn+  
882 CH2CHNH vinylazine ch2chnh  
883 CH3CHN methylmethaniminyl radical ch3chn  
884 NHCHNH2 aminomethanimine cn2h4  
885 C2H5N Aziridine c2h5n  
886 CH2CHNH2 aminoethene aminoethene  
887 CH2NCH3 N-methylmethanimine nmm  
888 CH3CHNH ethanimine ethanimine  
889 NH2BHNH2 diaminoborane nh2bhnh2  
890 C2H5NH+ Protonated Aziridine c2h5nh+  
891 C2H6N+ aziridine, protonated c2h6n+  
892 NH2CH2NH2 diaminomethane nh2ch2nh2  
893 CH3CH2NH2 Ethylamine etam  
894 CH3NHCH3 Dimethylamine ch3nhch3  
895 CH3PHCH3 dimethylphosphine ch3phch3  
896 NH2CH2NH3+ diaminoethane, protonated pdam  
897 (CH3)2NH2+ dimethylammonium cation dmam  
898 CH3CH2NH3+ ethylamine, protonated pea  
899 Li2O dilithium oxide li2o  
900 Li2O+ dilithium oxide cation li2o+  
901 Li2S dilithium sulfide li2s  
902 Na2O disodium monoxide na2o  
903 Na2S Sodium sulfide na2s  
904 LiO2 Lithium dioxide lio2  
905 NaO2 Sodium superoxide nao2  
906 CCO Dicarbon monoxide cco  
907 CNO- fulminate cno-  
908 NCO isocyanato radical nco  
909 NCO- cyanate nco-  
910 SCN thiocyanato radical scn  
911 SCN- thiocyanide anion scn-  
912 BO2 Boron dioxide bo2  
913 BO2- Boron dioxide anion bo2-  
914 BO2+ Boron dioxide cation bo2+  
915 N2O Nitrous oxide n2o  
916 N2O- Nitrous oxide anion n2o-  
917 N2O+ Nitrous oxide cation n2o+  
918 NNS Nitrogen sulfide nns  
919 PPO Phosphorus oxide phosphide ppo  
920 CO2- Carbon dioxide anion co2-  
921 CO2+ Carbon dioxide cation co2+  
922 OCS Carbonyl sulfide cos  
923 OCS+ Carbonyl sulfide cation cos+  
924 SiO2 silicon dioxide sio2  
925 CS2 Carbon disulfide cs2  
926 CS2- Carbon disulfide anion cs2-  
927 CS2+ Carbon disulfide cation cs2+  
928 TiO2 Titanium dioxide tio2  
929 SiS2 Silicon disulfide sis2  
930 GeO2 Germanium dioxide geo2  
931 OCSe Carbonyl selenide ocse  
932 SCSe Carbon sulfide selenide scse  
933 GeS2 Germanium disulfide ges2  
934 CSe2 Carbon diselenide cse2  
935 SCTe Carbon sulfide Telluride scte  
936 NO2 Nitrogen dioxide no2  
937 NO2- Nitrogen dioxide anion no2-  
938 NO2+ Nitrogen dioxide cation no2+  
939 NSO sulfinyl amidogen NSO  
940 PO2 Phosphorus dioxide po2  
941 PO2- Phosphorus dioxide anion po2-  
942 PO2+ Phosphorus dioxide cation po2+  
943 SNO Nitrogen oxide sulfide sno  
944 AsO2 Aresenic dioxide aso2  
945 O3 Ozone o3  
946 O3- Ozone anion o3-  
947 O3+ Ozone cation o3+  
948 SO2- Sulfur dioxide anion so2-  
949 SO2+ Sulfur dioxide cation so2+  
950 SSO Disulfur monoxide sso  
951 S3 Sulfur trimer s3  
952 S3- Sulfur trimer anion s3-  
953 S3+ Sulfur trimer cation s3+  
954 SeO2 Selenium dioxide seo2  
955 SeO2+ Selenium dioxide cation seo2+  
956 TeO2 Tellurium Dioxide teo2  
957 HCCO ketenyl radical ketenyl  
958 CS2H+ Carbon disulfide, protonated cs2h+  
959 HCNO fulminic acid hcno  
960 HNCO Isocyanic acid hnco  
961 HOCN cyanic acid hocn  
962 HNCS Isothiocyanic acid hncs  
963 HSCN thiocyanic acid hscn  
964 HCO2- formate anion hco2-  
965 HNNO nitrosoazane hnno  
966 HNNO+ Nitrous oxide, N-protonated hnno+  
967 NNOH+ Nitrous Oxide, O-protonated nnoh+  
968 HCOO formate neutral radical hcoo  
969 HOCO Hydrocarboxyl radical hoco  
970 HOCO+ Hydrocarboxyl cation hoco+  
971 HNO2 Nitrous acid hno2  
972 HNO2+ nitrous acid cation hno2+  
973 O3H+ protonated ozone o3h+  
974 SO2H+ protonated sulfur dioxide so2h+  
975 C2H2O Oxirene oxirene  
976 CH2CO Ketene ch2co  
977 CH2CO+ Ketene cation ch2co+  
978 HCCOH ethynol hccoh  
979 CH2CS Thioketene ch2cs  
980 Be(OH)2 Beryllium hydroxide beo2h2  
981 Mg(OH)2 Magnesium dihydroxide h2mgo2  
982 NH2NO Nitrosamide nh2no  
983 CH2O2 Dioxirane diox  
984 H2COO Dioxymethyl radical h2coo  
985 H2COO+ dioxymethyl cation h2coo+  
986 HCOOH Formic acid ch2o2  
987 H2O3 Hydrogen trioxide h2o3  
988 HSSSH trisulfane hsssh  
989 NaOCH3 Sodium methoxide naoch3  
990 CH2BOH hydroxy(methylene)borane ch2boh  
991 BH3CO Borane carbonyl bh3co  
992 CH3BO Borane, methyloxo- ch3bo  
993 CH2CHO Vinyloxy radical ch2cho  
994 CH2COH+ ketene, protonated ch2coh+  
995 CH3CO Acetyl radical ch3co  
996 CH3CO- Acetyl anion ch3co-  
997 CH3CO+ acetyl cation ch3co+  
998 CH2NOH formaldoxime ch2noh  
999 CH3NO nitrosomethane ch3no  
1000 CHONH2 formamide formamide  
1001 CNOH3 1,2-oxaziridine cnoh3  
1002 HOCHNH hydroxymethylimine hochnh  
1003 CHSNH2 thioformamide chsnh2  
1004 NHCHSH Methanimidothioic acid nhchsh  
1005 CH2OOH CH2OOH radical ch2ooh  
1006 CH3OO methylperoxy radical ch3oo  
1007 CH3OO- methylperoxy anion ch3oo-  
1008 CH3OO+ methylperoxy cation ch3oo+  
1009 C2H4O Ethylene oxide c2h4o  
1010 C2H4O+ ethylene oxide cation c2h4o+  
1011 CH2CHOH ethenol ch2choh  
1012 CH3CHO Acetaldehyde ch3cho  
1013 CH3CHO+ acetaldehyde cation ch3cho+  
1014 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1015 C2H4S Thiirane thiirane  
1016 CH2CHSH Ethenethiol ch2chsh  
1017 CH3CHS Thioacetaldehyde ch3chs  
1018 H2CONH2+ protonated formamide h2conh2+  
1019 NH2CHOH+ Formamide, O-protonated nh2choh+  
1020 NH3CHO+ Formamide, N-Protonated nh3cho+  
1021 CH2(OH)2 methanediol ch2o2h2  
1022 CH3OOH Methyl peroxide ch3ooh  
1023 CH3SSH Hydrogen methyl disulfide ch3ssh  
1024 HSCH2SH Methanedithiol ch4s2  
1025 H2OH2CO water formaldehyde dimer h2oh2co  
1026 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1027 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1028 CH3CH2O Ethoxy radical ethoxy  
1029 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1030 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1031 CH3OCH2 methoxymethyl radical ch3och2  
1032 NH2CH2OH aminomethanol nh2ch2oh  
1033 CH3CH2OH Ethanol etoh  
1034 CH3OCH3 Dimethyl ether meome  
1035 CH3CH2SH ethanethiol etsh  
1036 CH3SCH3 Dimethyl sulfide mesme  
1037 CH3SCH3+ dimethyl sulfide cation mesme+  
1038 CH3SeCH3 dimethylselenide dmse  
1039 CH3OHH2O methanol water dimer ch3ohh2o  
1040 H2OCH3OH water methanol dimer h2och3oh  
1041 CuF2 Copper difluoride cuf2  
1042 ZnF2 Zinc difluoride znf2  
1043 CNF iso cyanogen fluoride cnf  
1044 FCN Cyanogen fluoride fcn  
1045 ClCN chlorocyanogen clcn  
1046 BrCN Cyanogen bromide brcn  
1047 ICN Cyanogen iodide icn  
1048 FBO Boron monofluoride monoxide fbo  
1049 BeF2 Beryllium fluoride bef2  
1050 MgF2 Magnesium fluoride mgf2  
1051 BeCl2 Beryllium chloride becl2  
1052 MgCl2 Magnesium dichloride mgcl2  
1053 CaCl2 Calcium Chloride cacl2  
1054 ZnCl2 Zinc dichloride zncl2  
1055 BeBr2 Beryllium bromide bebr2  
1056 CaBr2 Calcium dibromide cabr2  
1057 CaF2 Calcium difluoride caf2  
1058 FCO Carbonyl fluoride fco  
1059 FCO+ Carbonyl fluoride cation fco+  
1060 ClCO carbonyl monochloride clco  
1061 BF2 Boron difluoride radical bf2  
1062 FNO Nitrosyl fluoride fno  
1063 ClNO Nitrosyl chloride clno  
1064 FNS Thionitrosyl fluoride fns  
1065 FSN Thiazyl fluoride fsn  
1066 OPCl Phosphorus oxychloride opcl  
1067 BrNO Nitrosyl bromide brno  
1068 INO Nitrosyl iodide ino  
1069 CF2 Difluoromethylene cf2  
1070 CF2- Difluoromethylene anion cf2-  
1071 CF2+ Difluoromethylene cation cf2+  
1072 CFCl chlorofluoromethylene cfcl  
1073 SiF2 Silicon difluoride sif2  
1074 SiF2+ Silicon difluoride cation sif2+  
1075 CCl2 dichloromethylene ccl2  
1076 CCl2- dichloromethylene anion ccl2-  
1077 CCl2+ dichloromethylene cation ccl2+  
1078 SiCl2 Dichlorosilylene sicl2  
1079 GeF2 Germanium difluoride gef2  
1080 GeCl2 Germanium dichloride gecl2  
1081 CBr2 dibromomethylene cbr2  
1082 FOO Dioxygen monofluoride radical foo  
1083 FOO+ Fluorine dioxide cation foo+  
1084 ClOO chloroperoxy radical cloo  
1085 ClOO+ chloroperoxy cation cloo+  
1086 OClO Chlorine dioxide oclo  
1087 OClO- Chlorine dioxide anion oclo-  
1088 OClO+ Chlorine dioxide cation oclo+  
1089 ClSO Sulfur chloride oxide clso  
1090 ClS2 Sulfur chloride cls2  
1091 BrOO Bromine dioxide broo  
1092 OBrO Bromine dioxide radical obro  
1093 NF2 Difluoroamino radical nf2  
1094 NF2+ Difluoroamino cation nf2+  
1095 PF2 Phosphorus difluoride pf2  
1096 PF2+ Phosphorus difluoride cation pf2+  
1097 FClO chlorosyl fluoride fclo  
1098 F2O Difluorine monoxide f2o  
1099 ClOF Chlorine hypofluorite clof  
1100 SF2 sulfur difluoride sf2  
1101 SF2- sulfur difluoride anion sf2-  
1102 SF2+ sulfur difluoride cation sf2+  
1103 Cl2O Dichlorine monoxide cl2o  
1104 SCl2 Sulfur dichloride scl2  
1105 SeF2 Selenium difluoride sef2  
1106 BrOCl Bromine hypochlorite brocl  
1107 SeCl2 Selenium Dichloride secl2  
1108 SBr2 Sulfur dibromide sbr2  
1109 SeBr2 Selenium dibromide sebr2  
1110 BrOBr Bromine oxide brobr  
1111 F3- trifluoride anion f3-  
1112 Cl3- trichloride anion cl3-  
1113 Br3- tribromide anion br3-  
1114 I3- triiodide i3-  
1115 SFCl Sulfur chloride fluoride sfcl  
1116 HCCF Fluoroacetylene hccf  
1117 HCCF+ fluoroacetylene cation hccf+  
1118 HCCCl Chloroacetylene hcccl  
1119 HCCBr bromoacetylene hccbr  
1120 HFCO formyl fluoride hfco  
1121 HFCO+ formyl fluoride cation hfco+  
1122 COHCl Formyl chloride cohcl  
1123 COHBr Formyl bromide cohbr  
1124 BHF2 Difluoroborane bhf2  
1125 BHCl2 Borane, dichloro- bhcl2  
1126 CHCl2 dichloromethyl radical chcl2  
1127 CHF2 difluoromethyl radical chf2  
1128 CHF2+ difluoromethyl cation chf2+  
1129 CHFCl Chlorofluoromethyl radical chfcl  
1130 CHFCl+ Chlorofluoromethyl cation chfcl+  
1131 CHCl2+ dichloromethyl cation chcl2+  
1132 CHBr2 dibromomethyl radical chbr2  
1133 HOClO Chlorous acid hoclo  
1134 NHF2 difluoramine nhf2  
1135 NHCl2 dichloroamine nhcl2  
1136 CH2F2 Methane, difluoro- ch2f2  
1137 CH2FCl fluorochloromethane ch2fcl  
1138 SiH2F2 difluorosilane sih2f2  
1139 CH2Cl2 Methylene chloride ch2cl2  
1140 CH2BrF Methane, bromofluoro- ch2fbr  
1141 CH2BrCl Methane, bromochloro- ch2clbr  
1142 CH2FI fluoroiodomethane ch2fi  
1143 CH2Br2 dibromomethane ch2br2  
1144 CH2ClI chloroiodomethane ch2cli  
1145 CH2BrI bromoiodomethane ch2bri  
1146 CH2I2 Diiodomethane ch2i2  
1147 SiH2Cl2 dichlorosilane sih2cl2  
1148 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1149 CH2CHF Ethene, fluoro- ch2chf  
1150 CH2CHF+ fluoroethene cation ch2chf+  
1151 C2H3Cl Ethene, chloro- ch2chcl  
1152 C2H3Br vinyl bromide c2h3br  
1153 C2H3I Vinyl iodide c2h3i  
1154 CH2FOH fluoromethanol ch2foh  
1155 CH3OCl methyl hypochlorite ch3ocl  
1156 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1157 CHClCH3 1-chloroethyl radical chclch3  
1158 C2H5F fluoroethane c2h5f  
1159 CH3CH2Cl Ethyl chloride c2h5cl  
1160 CH3SiFH2 fluoromethylsilane ch3sifh2  
1161 C2H5Br Ethyl bromide etbr  
1162 C2H5I Ethyl iodide c2h5i  
1163 KrF2 Krypton difluoride krf2  
1164 XeF2 Xenon difluoride xef2  
1165 B4H10 Tetraborane(10) b4h10  
1166 C4 Carbon tetramer c4  
1167 C4+ Carbon tetramer cation c4+  
1168 C4H2 Diacetylene c4h2  
1169 C4H2+ diacetlyene cation c4h2+  
1170 C2H3CCH 1-Buten-3-yne c2h3cch  
1171 C4H4 cyclobutadiene cbd  
1172 C4H4 Tetrahedrane c4h4  
1173 H2CCCCH2 Butatriene h2cccch2  
1174 C4H6 1-Methylcyclopropene c3100047  
1175 C4H6 Cyclobutene c822355  
1176 C4H6 Methylenecyclopropane c6142730  
1177 CH2CCHCH3 1,2-Butadiene butad12  
1178 CH2CHCHCH2 1,3-Butadiene c106990  
1179 CH3CCCH3 2-Butyne c503173  
1180 CHCCH2CH3 1-Butyne c107006  
1181 CH3CHCHCH2 methylallyl radical c4h7  
1182 C4H8 methylcyclopropane mcp  
1183 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1184 CH2CHCH2CH3 1-Butene bute1  
1185 CH3CHCHCH3 2-Butene, (E)- bute2e  
1186 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1187 B(CH3)3 trimethylborane bme3  
1188 Al(CH3)3 trimethyl aluminum tma  
1189 C(CH3)3 Tert-butyl radical tbutyl  
1190 CH2CH(CH3)2 Isobutyl radical isobutyl  
1191 CH3CHCH2CH3 2-Butyl radical butyl2  
1192 CH3CH(CH3)CH3 Isobutane isobutane  
1193 CH3CH2CH2CH3 Butane butane  
1194 SiH(CH3)3 trimethylsilane trimsi  
1195 Li3N trilithium nitride li3n  
1196 C2N2 Cyanogen c2n2  
1197 C2N2+ Cyanogen cation c2n2+  
1198 P4 Phosphorus tetramer p4  
1199 As4 Arsenic tetramer as4  
1200 HCCCN Cyanoacetylene hcccn  
1201 HCCCN+ Cyanoacetylene cation hcccn+  
1202 H2CNCN cyanamide, methylene ch2ncn  
1203 HNCCNH Ethenediimine hnccnh  
1204 C3H3N acrylonitrile ch2chcn  
1205 C3H3N+ acrylonitrile cation ch2chcn+  
1206 CH3N3 methyl azide ch3n3  
1207 NH2CCNH2 Diaminoacetylene daa  
1208 NH2CH2CN Aminoacetonitrile aan  
1209 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1210 C2H5CN ethyl cyanide c2h5cn  
1211 CH5N3 Guanidine guanidine  
1212 C4H6 Bicyclo[1.1.0]butane c157335  
1213 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1214 H2NCHCHNH2 diaminoethylene dae  
1215 CH6N3+ guanidinium ch6n3+  
1216 C3H7N Cyclopropylamine cpram  
1217 CH7N3 triaminomethane tam  
1218 C3H7N Azetidine azet  
1219 C4H8 cyclobutane cbutane  
1220 C2H8N2 Ethylenediamine ethdiam  
1221 CH3NHNHCH3 dimethyl hydrazine dmh  
1222 CH3CH(NH2)CH3 2-Propanamine pram2  
1223 N(CH3)3 Trimethylamine trimeam  
1224 NH2CH2CH2CH3 1-Propanamine pram1  
1225 P(CH3)3 trimethylphosphine tmp  
1226 N(SiH3)3 trisilylamine tsa  
1227 As(CH3)3 trimethyl arsine tmas  
1228 (CH3)3NH+ protonated trimethyl amine ptma  
1229 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1230 Li2O2 dilithium dioxide li2o2  
1231 Na2O2 disodium dioxide na2o2  
1232 K2O2 dipotassium dioxide k2o2  
1233 C3O Tricarbon monoxide c3o  
1234 B2O2 Diboron dioxide b2o2  
1235 ONNO NO dimer onno  
1236 S2N2 Disulfur dinitride s2n2  
1237 CO3 Carbon trioxide co3  
1238 CO3-- carbonate co3--  
1239 CS3-- Carbonotrithioate cs3--  
1240 NO3 Nitrogen trioxide no3  
1241 NO3- nitrate anion no3-  
1242 NO3+ nitrogen trioxide cation no3+  
1243 SO3 Sulfur trioxide so3  
1244 SO3- Sulfur trioxide anion so3-  
1245 SO3-- Sulfate dianion so3--  
1246 SO3+ Sulfur trioxide cation so3+  
1247 SeO3 selenium trioxide seo3  
1248 S4 Sulfur tetramer s4  
1249 TeO3 Tellurium trioxide teo3  
1250 HCO3- bicarbonate anion hco3-  
1251 HNO3 Nitric acid hno3  
1252 HSO3 Hydroxysulfonyl radical hso3  
1253 NH2NO2 nitramide nh2no2  
1254 C2H2CO cyclopropenone c2h2co  
1255 C3H2O Propadienal c3h2o  
1256 HCCCHO 2-propynal hcccho  
1257 C2H2O2 Ethanedial c2h2o2  
1258 C2H2O2+ Ethanedial cation c2h2o2+  
1259 H2CO3 Carbonic acid h2co3  
1260 H2CS3 thiocarbonic acid h2cs3  
1261 H2NO3+ Nitric Acid, Protonated h2no3+  
1262 H2SO3 Sulfurous acid h2so3  
1263 C2H3NO Nitrosoethylene c2h3no  
1264 CH3NCO methylisocyante ch3nco  
1265 HOCH2CN cyanomethanol hoch2cn  
1266 CH3COO- acetate anion ch3coo-  
1267 CH3NO2 Methane, nitro- ch3no2  
1268 CH3ONO Methyl nitrite ch3ono  
1269 NH2COOH Carbamic acid nh2cooh  
1270 H3BO3 Boric acid h3bo3  
1271 H3AlO3 Aluminum hydroxide h3alo3  
1272 H3CO3+ carbonic acid, protonated h3co3+  
1273 C3H4O 2-Propyn-1-ol c107197  
1274 C3H4O allenol c9000071  
1275 C3H4O Cyclopropanone cpone  
1276 C3H4O Methylketene c6004440  
1277 CH2CHCHO Acrolein c3h4o  
1278 NH2CONH2 Urea urea  
1279 NH2CONH2+ Urea cation urea+  
1280 NH2CSNH2 Thiourea thiourea  
1281 C2H4O2 1,3-dioxetane c2h4o2  
1282 CH3COOH Acetic acid ch3cooh  
1283 CH3OCHO methyl formate ch3ocho  
1284 CHOCH2OH hydroxy acetaldehyde haa  
1285 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1286 NH3COOH+ protonated Carbamic acid nh3cooh+  
1287 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1288 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1289 HCOOHH2O Formic acid water dimer hcoohh2o  
1290 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1291 CH3COCH2 Acetonyl radical ch3coch2  
1292 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1293 CH3C(OH)=NH Ethaninidic acid eia  
1294 CH3CHNOH Acetaldoxime acetaldoxime  
1295 CH3CONH2 Acetamide acetamide  
1296 HCONHCH3 N-methylformamide nmfa  
1297 CH3CSNH2 Ethanethioamide ch3csnh2  
1298 CH5N2O+ urea, N-protonated ch4n2o+  
1299 H2NCOHNH2+ urea, protonated ureah+  
1300 C2H5OO ethylperoxy radical c2h5oo  
1301 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1302 C3H5OH Cyclopropanol cproh  
1303 C3H6O 2-Propen-1-ol c107186  
1304 C3H6O Acetone enol enol  
1305 C3H6O Oxetane oxetane  
1306 C3H6O Propylene oxide prox  
1307 CH3CH2CHO Propanal propanal  
1308 CH3COCH3 Acetone acetone  
1309 CH3COCH3- acetone anion ch3coch3-  
1310 C3H6S Thietane thietane  
1311 C3H6S Thiirane, methyl- methiirane  
1312 CH3CSCH3 Thioacetone ch3csch3  
1313 C2H6O2 1,2-Ethanediol ethdiol  
1314 CH3OOCH3 dimethylperoxide dmp  
1315 CH3SOCH3 Dimethyl sulfoxide dmso  
1316 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1317 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1318 CH3COHCH3+ acetone, protonated acetoneh+  
1319 HOCH2CH2NH2 monoethanolamine mea  
1320 C3H7OH 1-Propanol proh  
1321 CH3CHOHCH3 Isopropyl alcohol isoproh  
1322 CH3OC2H5 Ethane, methoxy- etome  
1323 C3H7SH 1-Propanethiol prsh  
1324 CH3CHSHCH3 2-Propanethiol isoprsh  
1325 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1326 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1327 Li2F2 Lithium fluoride dimer li2f2  
1328 Na2F2 Sodium Fluoride Dimer na2f2  
1329 Na2Cl2 Disodium dichloride na2cl2  
1330 C2F2 difluoroacetylene c2f2  
1331 C2Cl2 dichloroacetylene c2cl2  
1332 C2Cl2+ dichloroacetylene cation c2cl2+  
1333 FNO2 Nitryl fluoride fno2  
1334 FONO Nitrosyl hypofluorite fono  
1335 ClNO2 Nitryl chloride clno2  
1336 ClONO chlorine nitrite clono  
1337 BrONO Bromine nitrite brono  
1338 N2F2 (Z)-Difluorodiazene n2f2_z  
1339 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1340 CF2O Carbonic difluoride f2co  
1341 CF2O+ Carbonic difluoride cation f2co+  
1342 COFCl Carbonic chloride fluoride cofcl  
1343 CCl2O Phosgene cl2co  
1344 Cl2CS Thiophosgene cl2cs  
1345 COBr2 Carbonic dibromide cobr2  
1346 BF3- Borane, trifluoro- anion bf3-  
1347 BF3+ boron trifluoride cation bf3+  
1348 BClF2 Chlorodifluoroborane bclf2  
1349 AlF2Cl Aluminum chloride difluoride alclf2  
1350 ScF3 Scandium trifluoride ScF3  
1351 AlFCl2 Aluminum dichloride fluoride alcl2f  
1352 BCl3 Borane, trichloro- bcl3  
1353 BCl3+ Boron Trichloride cation bcl3+  
1354 GaF3 Gallium trifluoride gaf3  
1355 AlCl3 Aluminum trichloride alcl3  
1356 GaCl3 Gallium trichloride gacl3  
1357 BBr3 Boron tribromide bbr3  
1358 AlBr3 Aluminum Bromide albr3  
1359 ClO3 Chlorine trioxide clo3  
1360 ClO3- chlorate anion clo3-  
1361 BrO3- Bromate anion bro3-  
1362 CF3 Trifluoromethyl radical cf3  
1363 CF3- Trifluoromethyl anion cf3-  
1364 CF3+ Trifluoromethyl cation cf3+  
1365 CF2Cl difluorochloromethyl radical cf2cl  
1366 SiF3 Silicon trifluoride radical sif3  
1367 SiF3+ Silicon trifluoride cation sif3+  
1368 CFCl2 dichlorofluoromethyl radical cfcl2  
1369 CCl3 Trichloromethyl radical ccl3  
1370 CCl3- Trichloromethyl anion ccl3-  
1371 CCl3+ Trichloromethyl cation ccl3+  
1372 SiCl3 trichlorosilyl radical sicl3  
1373 SiCl3+ trichlorosilyl cation sicl3+  
1374 CBr3 tribromomethyl radical cbr3  
1375 FOOF Perfluoroperoxide foof  
1376 ClO2F Chloryl fluoride clo2f  
1377 F2SO Thionyl Fluoride f2so  
1378 ClOOCl Dichlorine dioxide cloocl  
1379 FSSF Difluorodisulfane fssf  
1380 S2F2 Thio-thionyl fluoride s2f2  
1381 SOCl2 thionyl chloride socl2  
1382 SSCl2 Thiothionyl chloride sscl2  
1383 SeOCl2 selenium oxychloride seocl2  
1384 NF3 Nitrogen trifluoride nf3  
1385 NF3- Nitrogen trifluoride anion nf3-  
1386 NF3+ Nitrogen trifluoride cation nf3+  
1387 PF3 Phosphorus trifluoride pf3  
1388 NCl3 nitrogen trichloride ncl3  
1389 AsF3 Arsenic trifluoride asf3  
1390 PCl3 Phosphorus trichloride pcl3  
1391 SbF3 Antimony Trifluoride sbf3  
1392 AsCl3 Arsenous trichloride ascl3  
1393 SbCl3 Antimony Trichloride sbcl3  
1394 NBr3 Nitrogen Tribromide nbr3  
1395 PBr3 Phosphorus tribromide pbr3  
1396 AsBr3 Arsenic tribromide asbr3  
1397 PI3 Phosphorus triiodide pi3  
1398 ClSSCl Disulfur dichloride s2cl2  
1399 SF3 Sulfur trifluoride sf3  
1400 ClF3 Chlorine trifluoride clf3  
1401 BrF3 Bromine trifluoride brf3  
1402 IF3 iodone trifluoride if3  
1403 HClO3 Chloric Acid hclo3  
1404 CHF3 Methane, trifluoro- chf3  
1405 CHF2Cl difluorochloromethane chf2cl  
1406 SiHF3 trifluorosilane sihf3  
1407 CHFCl2 fluorodichloromethane chfcl2  
1408 CDCl3 trichloromethane-d cdcl3  
1409 CHCl3 Chloroform chcl3  
1410 CHBrF2 Methane, bromodifluoro- chbrf2  
1411 SiHCl3 Trichlorosilane sihcl3  
1412 CHFClBr fluorochlorobromomethane chfclbr  
1413 CHBrCl2 Methane, bromodichloro- chbrcl2  
1414 CHF2I difluoroiodomethane chf2i  
1415 CHBr2F dibromofluoromethane chbr2f  
1416 CHFClI fluorochloroiodomethane chfcli  
1417 CHCl2I dichloroiodomethane chcl2i  
1418 CHClBr2 Methane, dibromochloro- chclbr2  
1419 CHBr3 bromoform chbr3  
1420 CHI3 Iodoform chi3  
1421 NF3H+ protonated nitrogen trifluoride nf3h+  
1422 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1423 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1424 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1425 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1426 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1427 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1428 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1429 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1430 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1431 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1432 C2H2Br2 1,1-dibromoethene c2h2br2  
1433 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1434 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1435 CH2FCHO Fluoroacetaldehyde ch2fcho  
1436 CH3COF Acetyl fluoride ch3cof  
1437 CH2ClCHO chloroacetaldehyde ch2clcho  
1438 CH3COCl Acetyl Chloride ch3cocl  
1439 C2H4F2 1,2-difluoroethane c2h4f2  
1440 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1441 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1442 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1443 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1444 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1445 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1446 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1447 CH2CFCH3 2-fluoropropene 2fpro  
1448 CH2CHCH2F Allyl Fluoride allylf  
1449 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1450 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1451 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1452 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1453 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1454 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1455 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1456 CH2FCH2CH3 1-Fluoropropane prf1  
1457 CH3CHFCH3 2-Fluoropropane prf2  
1458 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1459 CH3CHClCH3 Propane, 2-chloro- prcl2  
1460 CH3CH2CH2Br n-propyl bromide prbr  
1461 CH3CHBrCH3 i-propyl bromide iprbr  
1462 C3H9O+ trimethyl oxonium cation c3h9o+  
1463 B5H9 pentaborane9 b5h9  
1464 C5H4 pentatetraene ptrene  
1465 C5H5 cyclopentadienyl radical c5h5  
1466 C5H5- cylopentadienyl anion c5h5-  
1467 C5H6 1,3-Cyclopentadiene c542927  
1468 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1469 C5H6 3-Penten-1-yne, (E)- c2004695  
1470 C5H6 3-Penten-1-yne, (Z)- c1574409  
1471 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1472 C5H6 Cyclopropylacetylene c6746947  
1473 C5H6 Propellane propellane  
1474 C5H7 1,3-pentadienyl radical pdyl  
1475 C5H7 cyclopentenyl radical cpyl  
1476 C5H8 1,2-Butadiene, 3-methyl- c598254  
1477 C5H8 1,2-Pentadiene c591957  
1478 C5H8 1,3-Butadiene, 2-methyl- c78795  
1479 C5H8 1,3-Pentadiene, (E)- c2004708  
1480 C5H8 1,3-Pentadiene, (Z)- c1574410  
1481 C5H8 1,4-Pentadiene c591935  
1482 C5H8 1-pentyne a1pentyne  
1483 C5H8 2,3-Pentadiene c591968  
1484 C5H8 Bicyclo[1.1.1]pentane bcp  
1485 C5H8 Cyclobutane, methylene- c1120565  
1486 C5H8 Cyclopentene c142290  
1487 C5H8 Ethenylcyclopropane c693867  
1488 CH3CCCH2CH3 2-Pentyne 2pentyne  
1489 C5H10 1-Butene, 2-methyl- c563462  
1490 C5H10 2-Butene, 2-methyl- c513359  
1491 C5H10 2-Pentene, (E)- c646048  
1492 C5H10 2-Pentene, (Z)- c627203  
1493 C5H10 Cyclopentane c287923  
1494 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1495 CH2CHCH2CH2CH3 1-pentene pentene  
1496 C5H11 2-Methylbut-2-yl radical c4348350  
1497 C5H12 Butane, 2-methyl- buta2  
1498 C5H12 Pentane pentane  
1499 C5H12 Propane, 2,2-dimethyl- neopentane  
1500 Si(CH3)4 tetramethylsilane tms  
1501 N2O3 Dinitrogen trioxide n2o3  
1502 C3H2N2 Malononitrile c3h2n2  
1503 CH2N4 1H-Tetrazole 1htz  
1504 C3H3N2 imidazolyl radical im  
1505 C3H3N2- imidizolyl anion im-  
1506 C2H3N3 1H-1,2,4-Triazole c288880  
1507 C4H4N pyrrolide radical c4h4n  
1508 C4H4N- pyrrolide anion c4h4n-  
1509 C3H4N2 1H-Imidazole 1himidaz  
1510 C3H4N2 1H-Pyrazole 1hpyraz  
1511 C3H4N2 2H-Imidazole imid2h  
1512 C3H4N2 4H-Imidazole imid4h  
1513 C4H5N (E)-2-Butenenitrile c627269  
1514 C4H5N (Z)-2-Butenenitrile c1190767  
1515 C4H5N 2H-pyrrole pyrrole2  
1516 C4H5N 3H-pyrrole pyrrole3  
1517 C4H5N Cyclopropanecarbonitrile c5500210  
1518 C4H5N Pyrrole pyrrole  
1519 CH2CHCH2CN Allylcyanide ch2chch2cn  
1520 C4H6N+ pyrrole, alpha-protonated appyr  
1521 C4H6N+ pyrrole, beta-protonated bppyr  
1522 C4H6N+ pyrrole, protonated ppyr  
1523 C3H6N2 3-Aminopropionitrile c151188  
1524 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1525 CH3CH2CH2CN Butanenitrile c109740  
1526 C5H8 Bicyclo[2.1.0]pentane c185944  
1527 C5H8 Spiropentane c157404  
1528 C4H9N Cyclobutylamine cbam  
1529 C4H9N Pyrrolidine pyrrolidine  
1530 C3H10N2 1,2-Diaminopropane diampr12  
1531 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1532 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1533 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1534 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1535 NH(C2H5)2 diethylamine dea  
1536 NC4H12+ tetramethyl ammonium cation nc4h12+  
1537 C3O2 Carbon suboxide c3o2  
1538 C3O2+ Carbon suboxide cation c3o2+  
1539 B2O3 diboron trioxide b2o3  
1540 MgCO3 Magnesium Carbonate mgco3  
1541 BeCO3 Beryllium Carbonate beco3  
1542 CaCO3 Calcium Carbonate caco3  
1543 ONONO Nitrosyl nitrite onono  
1544 PO4--- phosphate po4---  
1545 SO4-- sulfate so4--  
1546 HOONO2 peroxy nitric acid hoono2  
1547 HSO4- bisulfate anion hso4-  
1548 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1549 C3H2O2 Propiolic acid c3h2o2  
1550 CHOCOOH oxo acetic acid oaa  
1551 CHOOCHO diformyl ether choocho  
1552 H2SO4 Sulfuric acid h2so4  
1553 H2SeO4 Selenic acid h2seo4  
1554 C3H3NO Isoxazole isox  
1555 C3H3NO Oxazole oxazole  
1556 C3H3NS Thiazole thiazole  
1557 CH3C(O)OO acetyl peroxy radical ch3coo2  
1558 CH3NO3 Methyl nitrate ch3no3  
1559 H3PO4 Phosphoric Acid h3po4  
1560 C4H4O Furan furan  
1561 C4H4O+ Furan cation furan+  
1562 CH3COCCH 3-butyn-2-one c1423605  
1563 C4H4S Thiophene furans  
1564 C4H4Se selenophene c4h4se  
1565 C3H4O2 β–Propiolactone beta  
1566 C3H4O2 2-Propenoic acid propenoic2  
1567 C3H4O2 Methyl glyoxal megly  
1568 C3H4O2 propanedial propanedial  
1569 C3H4O2 propenalol propenalol  
1570 HOCHCCHOH allenediol aldiol  
1571 C2H4O3 1,2,3-trioxolane c2h4o3  
1572 C2H4O3 trioxolane124 triox  
1573 HOCH2COOH Hydroxyacetic acid hac  
1574 CH2CHCONH2 Acrylamide c79061  
1575 CH3OCH2CN Methoxyacetonitrile c1738369  
1576 CH5N3S Hydrazinecarbothioamide c79196  
1577 H2NCH2COOH Glycine glycine  
1578 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1579 C4H6O cis-2-butenal butenal2c  
1580 C4H6O Cyclobutanone cbutone  
1581 C4H6O Furan, 2,3-dihydro- furan23h  
1582 C4H6O Furan, 2,5-dihydro- furan25h  
1583 CH2CHOCHCH2 Vinyl ether vinylether  
1584 CHOCHCHCH3 2-Butenal butenal2  
1585 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1586 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1587 CH2CHSCHCH2 Divinyl sulfide divis  
1588 C2H6N2O Urea, methyl- c598505  
1589 C3H6O2 1,3-Dioxolane dioxolane  
1590 CH3CH2COOH Propanoic Acid propanoic  
1591 CH3COOCH3 methyl acetate aame  
1592 HCOOC2H5 Ethyl formate faee  
1593 C2H6O2S Dimethyl sulfone c67710  
1594 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1595 C3H7NO dimethylformamide dmf  
1596 C3H7NO Propanamide propanam  
1597 C2H3OC2H5 Ethene, ethoxy- c109922  
1598 C4H8O Cyclobutanol c2919235  
1599 C4H8O Furan, tetrahydro- thf  
1600 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1601 CH3COCH2CH3 2-Butanone buta2one  
1602 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1603 CHOCH2CH2CH3 Butanal butanal  
1604 C4H8S Thiophene, tetrahydro- tht  
1605 C3H8O2 1,3-Propanediol c504632  
1606 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1607 C3H8O2 Methane, dimethoxy- c109875  
1608 C3H8O2 Propylene glycol c57556  
1609 C3H8S2 1,3-Propanedithiol c109808  
1610 C4H10O 1-Butanol butanol1  
1611 C4H10O 1-Propanol, 2-methyl- c78831  
1612 C4H10O 2-Butanol, (.+/-.)- butanol2  
1613 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1614 C4H10O Ethoxy ethane etoet  
1615 C4H10O Methyl propyl ether meopr  
1616 C4H10O Propane, 2-methoxy- c598538  
1617 C4H10O+ 1-Butanol cation butanol1+  
1618 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1619 C2H5SC2H5 Diethyl sulfide etset  
1620 C4H9SH 1-Butanethiol bush  
1621 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1622 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1623 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1624 FNO3 Fluorine nitrate fno3  
1625 ClONO2 Chlorine nitrate clono2  
1626 BrONO2 Bromine nitrate brono2  
1627 TiCl4 Titanium tetrachloride ticl4  
1628 ClO4- perchlorate anion clo4-  
1629 BF4- tetrafluoroboron anion bf4-  
1630 ClFO3 Perchloryl fluoride clfo3  
1631 SO2F2 Sulfuryl fluoride so2f2  
1632 SO2Cl2 Sulfuryl chloride so2cl2  
1633 F3NO Nitrogen trifluoride oxide f3no  
1634 F3PO Phosphoryl fluoride pf3o  
1635 Cl3PO Phosphoryl chloride pcl3o  
1636 CF4 Carbon tetrafluoride cf4  
1637 CF3Cl Methane, chlorotrifluoro- cf3cl  
1638 SiF4 Silicon tetrafluoride sif4  
1639 CF2Cl2 difluorodichloromethane cf2cl2  
1640 TiF4 Titanium tetrafluoride tif4  
1641 CFCl3 Trichloromonofluoromethane cfcl3  
1642 CF3Br Bromotrifluoromethane cf3br  
1643 GeF4 Germanium tetrafluoride gef4  
1644 CCl4 Carbon tetrachloride ccl4  
1645 CCl4+ Carbon tetrachloride cation ccl4+  
1646 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1647 SiCl4 Silane, tetrachloro- sicl4  
1648 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1649 CF3I trifluoroiodomethane cf3i  
1650 CBrCl3 Methane, bromotrichloro- cbrcl3  
1651 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1652 GeCl4 Germanium Tetrachloride gecl4  
1653 CBr2ClF dibromochlorofluoromethane cbr2clf  
1654 CBr2Cl2 dibromodichloromethane cbr2cl2  
1655 CCl3I trichloroiodomethane ccl3i  
1656 CFBr3 fluorotribromomethane cfbr3  
1657 CFClBrI fluorochlorobromoiodomethane cfclbri  
1658 CBr3Cl tribromochloromethane cbr3cl  
1659 CF2I2 difluorodiiodomethane cf2i2  
1660 CBr4 Carbon tetrabromide cbr4  
1661 CCl2I2 dichlorodiiodomethane ccl2i2  
1662 SiBr4 Silicon tetrabromide sibr4  
1663 CBr3I tribromoiododmethane cbr3i  
1664 GeBr4 Germanium tetrabromide gebr4  
1665 CI4 tetraiodomethane ci4  
1666 SiI4 silicon tetraiodide sii4  
1667 ClOF3 Chlorine trifluoride oxide clof3  
1668 SF4 Sulfur tetrafluoride sf4  
1669 SeF4 Selenium tetrafluoride sef4  
1670 SCl4 Sulfur tetrachloride scl4  
1671 C2HF3 Trifluoroethylene c2hf3  
1672 C2HF3+ Trifluoroethylene cation c2hf3+  
1673 CHClCCl2 Trichloroethylene chclccl2  
1674 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1675 HClO4 perchloric acid hclo4  
1676 HSO3F Fluorosulfonic acid hso3f  
1677 CF3OH trifluoromethanol cf3oh  
1678 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1679 CHClCCHCl 1,3-dichloroallene chclcchcl  
1680 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1681 CHCl2CHO dichloroacetaldehyde chcl2cho  
1682 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1683 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1684 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1685 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1686 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1687 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1688 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1689 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1690 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1691 NH3BCl3 Amminetrichloroboron nh3bcl3  
1692 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1693 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1694 C3H5ClO Oxirane, (chloromethyl)- c106898  
1695 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1696 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1697 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1698 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1699 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1700 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1701 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1702 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1703 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1704 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1705 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1706 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1707 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1708 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1709 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1710 C4H9F 1-fluorobutane butaf1  
1711 CH3CHFCH2CH3 2-fluorobutane butaf2  
1712 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1713 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1714 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1715 XeF4 Xenon tetrafluoride xef4  
1716 C2H2N2O Furazan furazan  
1717 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1718 NH3BF3 Amminetrifluoroboron nh3bf3  
1719 C6H2 hexatriyne c6h2  
1720 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1721 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1722 C6H4 Benzyne benzyne  
1723 C6H5 phenyl phenyl  
1724 C6H5- phenyl anion phenyl-  
1725 C6H6 Prismane prismane  
1726 C6H6 1,2,4,5-Hexatetraene ht1245  
1727 C6H6 2,4-Hexadiyne hexadiyne  
1728 C6H6 3,4-Dimethylenecyclobutene cb34m  
1729 C6H6 Benzene benzene  
1730 C6H6 Benzvalene bv  
1731 C6H6 Dewar Benzene dewar  
1732 C6H6 Hexa-1,5-diene-3-yne hdy153  
1733 C6H6 Trimethylenecycopropane tmcp  
1734 C6H6+ Benzene cation c6h6+  
1735 C6H7+ benzene, protonated c6h7+  
1736 C6H8 (E)-hexa-1,3,5-triene c821078  
1737 C6H8 (E)-hexa-2,3,4-triene c59660650  
1738 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1739 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1740 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1741 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1742 C6H8 3-Methylenecyclopentene c930267  
1743 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1744 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1745 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1746 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1747 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1748 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1749 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1750 C6H10 1,5-Hexadiene c592427  
1751 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1752 C6H10 1-Hexyne hexyne1  
1753 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1754 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1755 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1756 C6H10 2-Hexyne c764352  
1757 C6H10 3-Hexyne hexyne3  
1758 C6H10 cyclohexene cyclohexene  
1759 C6H10 Cyclopentene, 1-methyl- c693890  
1760 C6H10 Cyclopentene, 3-methyl- c1120623  
1761 C6H10 Cyclopentene, 4-methyl- c1759815  
1762 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1763 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1764 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1765 C6H12 (E)-2-Hexene e2hexene  
1766 C6H12 (E)-3-methylpent-2-ene c616126  
1767 C6H12 (E)-hex-3-ene e3hexene  
1768 C6H12 (Z)-3-methylpent-2-ene c922623  
1769 C6H12 (Z)-hex-2-ene z2hexene  
1770 C6H12 (Z)-hex-3-ene z3hexene  
1771 C6H12 2,3-dimethylbut-1-ene c563780  
1772 C6H12 2,3-dimethyl-but-2-ene tmeet  
1773 C6H12 3-methylenepentane c760214  
1774 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1775 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1776 C6H12 Cyclohexane cyclohexane  
1777 C6H12 Cyclopentane, methyl- c96377  
1778 C6H12 Ethylcyclobutane c4806615  
1779 C6H12 hex-1-ene hexene1  
1780 C6H14 Butane, 2,2-dimethyl- buta22  
1781 C6H14 Butane, 2,3-dimethyl- buta23  
1782 C6H14 Hexane hexane  
1783 C6H14 Pentane, 2-methyl- penta2  
1784 C6H14 Pentane, 3-methyl- penta3  
1785 C4N2 2-Butynedinitrile c4n2  
1786 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1787 C4H2N2 Fumaronitrile c4h2n2  
1788 C2H2N4 sym-tetrazine ttz  
1789 C3H3N3 1,3,5-Triazine triazine135  
1790 CH3N5 5-Aminotetrazole c4418615  
1791 C4H4N2 1,3-Diazine diazine13  
1792 C4H4N2 Pyrazine pyrazine  
1793 C4H4N2 Pyridazine pyridazine  
1794 C4H4N2 Succinonitrile c110612  
1795 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1796 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1797 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1798 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1799 C5H5N E-2,4-pentadienenitrile bdcn  
1800 C5H5N Pyridine pyridine  
1801 B3N3H6 borazine borazine  
1802 C6H6 Fulvene fulvene  
1803 C5H6N+ Pyridinium c5h6n  
1804 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1805 C5H7N (E)-2-Pentenenitrile c26294984  
1806 C5H7N (E)-3-Pentenenitrile c16529661  
1807 C5H7N (Z)-2-Pentenenitrile c25899507  
1808 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1809 C5H7N Cyclobutanecarbonitrile c4426113  
1810 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1811 C5H9N Butanenitrile, 2-methyl- c18936179  
1812 C5H9N Pentanenitrile c110598  
1813 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1814 C6H10 Bicyclo[3.1.0]hexane c285585  
1815 C5H11N Cyclopentanamine cypentam  
1816 C5H11N Piperidine piper  
1817 C4H12N2 1,2-Butanediamine c4426486  
1818 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1819 Li2CO3 Lithium Carbonate li2co3  
1820 Na2CO3 Sodium Carbonate na2co3  
1821 C2O4-- oxalate anion c2o4  
1822 MgSO4 Magnesium Sulfate mgso4  
1823 N2O4 Dinitrogen tetroxide n2o4  
1824 C3H2O3 vinylene carbonate vica  
1825 C2H2O4 Oxalic Acid oxalic  
1826 C2H3NO3 Oxamic acid oxamic  
1827 C4H4O2 2(5H)-Furanone furanone  
1828 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1829 C2H4N2O2 Oxalamide oxalamide  
1830 C2H4N2S2 Ethanedithioamide c79403  
1831 C2H4CO3 Ethylene carbonate etco3  
1832 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1833 C3H4S3 1,3-Dithiolane-2-thione c822388  
1834 C2H4O4 Formic acid dimer fadimer  
1835 C4H5NO 3-Methylisoxazole isox3m  
1836 C4H5NO Isoxazole, 5-methyl- c5765446  
1837 C4H5NS 4-Methylthiazole c693958  
1838 C2H5NO3 Nitric acid, ethyl ester c625581  
1839 C5H6O 2H-Pyran pyran2  
1840 C5H6O 2-methylfuran furan2m  
1841 C5H6O 3-Methylfuran furan3m  
1842 C5H6O Pentadienal pdal  
1843 C5H6S Thiophene, 2-methyl- c554143  
1844 C5H6S Thiophene, 3-methyl- c616444  
1845 C4H6O2 γ–Butyrolactone c96480  
1846 C4H6O2 2,3-Butanedione c431038  
1847 C4H6O2 2-Propenoic acid, methyl ester c96333  
1848 C4H6O2 Crotonic Acid crot  
1849 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1850 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1851 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1852 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1853 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1854 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1855 C4H6OS Vinyl sulfoxide c1115157  
1856 CH6N4S Carbonothioic dihydrazide thiacarb  
1857 C2H6N2O2 (E)-Azodioxymethane c37765154  
1858 C2H6N2O2 Dimethylnitroamine c4164287  
1859 C3H6O3 1,3,5-Trioxane trioxane  
1860 C3H6S3 1,3,5-Trithiane c3h6s3  
1861 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1862 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1863 C4H7NO 2-Pyrrolidinone c616455  
1864 C4H7NO Ethoxyacetonitrile etoaccn  
1865 C4H7NO Methacrylamide c79390  
1866 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1867 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1868 C3H7ONO Propyl nitrite prono  
1869 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1870 CH3CH(NH2)COOH Alanine alanine  
1871 CH3NHCH2COOH Sarcosine sarcosine  
1872 NH2CH2CH2COOH β–alanine betaalanine  
1873 NH2COOC2H5 Urethane urethane  
1874 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1875 C5H8O Cyclopentanone c120923  
1876 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1877 C5H8O Methyl cyclopropyl ketone c765435  
1878 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1879 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1880 NH2CONHC2H5 Urea, ethyl- c625525  
1881 C4H8O2 1,3-Dioxane dioxan13  
1882 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1883 C4H8O2 1,4-Dioxane dioxan14  
1884 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1885 C4H8O2 Ethyl acetate c141786  
1886 C4H8OS s-Ethyl thioacetate c625605  
1887 C3H8O3 1,2,3-Propanetriol glycerin  
1888 C3H8O2S (Methylsulfonyl)ethane c594434  
1889 C4H9NO Butanamide c541355  
1890 C4H9NO Propanamide, 2-methyl- c563837  
1891 C5H10O 2-Butanone, 3-methyl- c563804  
1892 C5H10O 2H-Pyran, tetrahydro- c142687  
1893 C5H10O 2-methylbutyraldehyde 2meba  
1894 C5H10O 2-Pentanone mpk  
1895 C5H10O 3-Pentanone dek  
1896 C5H10O Cyclopentanol c96413  
1897 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1898 C5H10O Pentanal pal  
1899 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1900 C5H10S 3-Ethylthio-1-propene c5296628  
1901 C5H10S Cyclopentanethiol c1679078  
1902 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1903 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1904 C4H10O2 1,1-Dimethoxyethane c534156  
1905 C4H10O2 1,3-Butanediol budiol13  
1906 C4H10O2 1,4-Butanediol budiol14  
1907 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1908 C4H10OS Diethyl sulfoxide c70291  
1909 C4H10S2 1,4-Butanedithiol budisl14  
1910 C4H11NO Diethylhydroxylamine c3710847  
1911 C5H12O 1-Butanol, 2-methyl- c137326  
1912 C5H12O 1-Butanol, 3-methyl- c123513  
1913 C5H12O 1-Pentanol pentanol1  
1914 C5H12O 2-Butanol, 3-methyl- c598754  
1915 C5H12O 2-Pentanol peol2  
1916 C5H12O 3-Pentanol pentan3ol  
1917 C5H12O Butane, 1-methoxy- meobu  
1918 C5H12O Propane, 1-ethoxy- proet  
1919 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1920 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1921 C5H12S 1-Butanethiol, 3-methyl- c541311  
1922 C5H12S 1-Pentanethiol c110667  
1923 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1924 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1925 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1926 C5H12S Butane, 1-(methylthio)- c628295  
1927 C5H12S Ethyl propyl sulfide c4110503  
1928 C5H12S Propane, 2-(ethylthio)- c5145993  
1929 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1930 C4F2 difluorobutadiyne c4f2  
1931 ClCOClCO Oxalyl chloride oxcl  
1932 CF3CN Acetonitrile, trifluoro- cf3cn  
1933 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1934 B2F4 Diboron tetrafluoride b2f4  
1935 B2Cl4 Diboron tetrachloride b2cl4  
1936 C2F4 Tetrafluoroethylene c2f4  
1937 C2F4+ Tetrafluoroethylene cation c2f4+  
1938 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1939 CF2CCl2 difluorodichloroethylene cf2ccl2  
1940 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1941 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1942 C2FCl3 fluorotrichloroethene c2fcl3  
1943 C2Cl4 Tetrachloroethylene c2cl4  
1944 C2Br4 tetrabromoethene c2br4  
1945 CF3OF Trifluoromethylhypofluorite cf3of  
1946 SiF5- silicon pentafluoride anion sif5-  
1947 SOF4 Sulfur tetrafluoride oxide sof4  
1948 PF5 Phosphorus pentafluoride pf5  
1949 AsF5 Arsenic pentafluoride asf5  
1950 PCl5 Phosphorus pentachloride pcl5  
1951 SF5 Sulfur pentafluoride sf5  
1952 SF5+ pentafluoro sulfur cation sf5+  
1953 SbCl5 Antimony pentachloride sbcl5  
1954 BrF5 bromine pentafluoride brf5  
1955 ClF5 chlorinepentafluoride clf5  
1956 IF5 pentafluoroiodine if5  
1957 CF3CHO trifluoroacetaldehyde cf3cho  
1958 CCl3CHO trichloroacetaldehyde ccl3cho  
1959 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1960 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1961 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1962 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1963 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1964 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1965 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1966 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1967 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1968 CF3COOH trifluoroacetic acid cf3cooh  
1969 C4H3ClO Furan, 2-chloro fur2cl  
1970 C4H3ClO Furan,3-chloro fur3cl  
1971 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1972 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1973 C4H8Cl2 1,4-Dichlorobutane c110565  
1974 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1975 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1976 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1977 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1978 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1979 C5H11Cl Pentane, 1-chloro- pencl1  
1980 C4H8O2 Butanoic acid bua  
1981 C6H5CH2 benzyl radical benzyl  
1982 C7H7 cycloheptatrienyl radical c7h7  
1983 C7H7+ cycloheptatrienyl cation c7h7+  
1984 C6H5CH3 toluene toluene  
1985 C7H8 cycloheptatriene cht  
1986 C7H8 Norbornadiene norbor  
1987 C7H8 Quadricyclane qucy  
1988 C7H12 Norbornane nor  
1989 C7H14 cycloheptane c7h14  
1990 C7H16 2-methylhexane 2mhex  
1991 C7H16 3-methylhexane hex3m  
1992 C7H16 heptane heptane  
1993 CH(CN)3 tricyanomethane mecn3  
1994 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1995 C6H7N 2-Methylpyridine mp  
1996 C6H5NH2 aniline aniline  
1997 C6H13N 2-Methylpiperidine pip2m  
1998 C6H13N cyclohexanamine cham  
1999 C6H15N triethylamine tea  
2000 N2O5 Dinitrogen pentoxide n2o5  
2001 C4H2O3 Maleic Anhydride malan  
2002 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2003 C5H4O2 furfural furfural  
2004 C6H5O phenoxy radical phenoxy  
2005 C5H5NO 2(1H)-Pyridinone c72762006  
2006 C5H5NO 2(3H)-Pyridinone c9000048  
2007 C5H5NO 2(5H)-Pyridinone c9000037  
2008 C5H5NO 2-Pyridinol c109104  
2009 C5H5NO 3(2H)-Pyridinone c9000004  
2010 C5H5NO 3(4H)-Pyridinone c9000026  
2011 C5H5NO 3(6H)-Pyridinone c9000015  
2012 C5H5NO 3-Pyridinol c109002  
2013 C5H5NO 4(1H)-Pryidinone c9000060  
2014 C5H5NO 4(3H)-Pryidinone c9000059  
2015 C5H5NO 4-Pyridinol c626642  
2016 C6H5OH phenol phenol  
2017 C6H6O 2,4-Cyclohexadienone c24599573  
2018 C6H6O 2,5-Cyclohexadienone c5664335  
2019 C6H5SH Benzenethiol phsh  
2020 HO2CCHNH2CH2OH Serine serine  
2021 C5H8O2 Acetylacetone acac  
2022 C4H8O2S Sulfolane sulfolane  
2023 C7H10 Norbornene norbornene  
2024 CH(C2H3)3 trivinyl methane tvm  
2025 C6H10O cyclohexanone chexo  
2026 C6H12O hexanal c6h12o  
2027 C6H12O Oxepane oxepane  
2028 C3H7OC3H7 di-n-propyl ether propr  
2029 F2CCCF2 tetrafluoroallene pfa  
2030 CF3COO- trifluoro acetate anion cf3coo-  
2031 CF3COF trifluoroacetyl fluoride cf3cof  
2032 CF3COCl trifluoroacetyl chloride cf3cocl  
2033 PF6 Hexafluorophosphate neutral pf6  
2034 PF6- Hexafluorophosphate ion pf6-  
2035 SF6 Sulfur Hexafluoride sf6  
2036 SeF6 Selenium hexafluoride sef6  
2037 SF5Cl sulfur chloropentafluoride sf5cl  
2038 CF3CHF2 pentafluoroethane cf3chf2  
2039 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2040 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2041 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2042 CCl3CHCl2 pentachloroethane ccl3chcl2  
2043 C6H5F Fluorobenzene bzf  
2044 C6H5Cl chlorobenzene bzcl  
2045 C6H5Br bromobenzene bzbr  
2046 C8H6 Calicene calicene  
2047 C6H5CCH phenylacetylene phac  
2048 C8H6 benzocyclobutadiene bcbd  
2049 C8H6 Pentalene pentalene  
2050 C6H5CHCH2 Styrene styrene  
2051 C8H8 cubane cubane  
2052 C8H8 cyclooctatetraene cot  
2053 C6H5CH2CH3 Ethylbenzene etbz  
2054 CH3C6H4CH3 meta-xylene mxylene  
2055 CH3C6H4CH3 paraxylene pxylene  
2056 C8H14 Bicyclo[2.2.2]octane bico222  
2057 C8H16 cyclooctane cyclooct  
2058 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2059 C8H18 Octane c8h18  
2060 C6H5CN phenyl cyanide phcn  
2061 C6H12N2 Triethylenediamine ted  
2062 C4O4-- squarate dianion c4o4--  
2063 S4N4 Tetrasulfur tetranitride s4n4  
2064 S8 Octasulfur s8  
2065 C6H4O2 parabenzoquinone pbq  
2066 C4H4N2O2 Uracil uracil  
2067 C6H5CHO benzaldehyde benzal  
2068 C6H5OCH3 Anisole anisole  
2069 C5H9NO2 Proline proline  
2070 C6H12O2 Methyl pivalate c598981  
2071 C6H12O2 Hexanoic acid hexa  
2072 C4F4 tetrafluorcyclobutadiene c4f4  
2073 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2074 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2075 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2076 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2077 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2078 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2079 C2F6 hexafluoroethane c2f6  
2080 C2Cl6 hexachloroethane c2cl6  
2081 IF7 Iodine heptafluoride if7  
2082 C6H4F2 metadifluorobenzene mdfb  
2083 C6H4F2 orthodifluorobenzene odfb  
2084 C6H4F2 1,4-difluorobenzene pdfb  
2085 C6H4Cl2 1,2-dichlorobenzene dcb12  
2086 C6H4Cl2 1,3-dichlorobenzene dcb13  
2087 C6H4Cl2 1,4-dichlorobenzene dcb14  
2088 C6H5NO nitrosobenzene bzno  
2089 C9H8 Indene indene  
2090 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2091 C9H12 n-propyl benzene prbz  
2092 C9H20 Nonane nonane  
2093 C(CN)4 tetracyanomethane c5n4  
2094 C5H4N4 purine purine  
2095 C8H7N Indole indole  
2096 C3H3N3O3 cyanuric acid cyanuric  
2097 C6H5NO2 Nitrobenzene c6h5no2  
2098 C6H5COOH benzoic acid benzo  
2099 CH3COC6H5 acetophenone acph  
2100 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2101 C3F6 hexafluoropropene c3f6  
2102 C6H3F3 Benzene trifluoride 123 bzf3a  
2103 C8H18O 1-Octanol octanol  
2104 C10H8 Azulene azu  
2105 C10H8 naphthalene naph  
2106 C10H10 bullvalene bullv  
2107 C10H16 adamantane adamantane  
2108 C6N4 Tetracyanoethylene tcne  
2109 C6N4- tetracyanoethylene anion tcne-  
2110 C10H22 Decane decane  
2111 C4F6 perfluorobutadiene c4f6  
2112 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2113 C3F8 perfluoropropane c3f8  
2114 Fe(CO)5 Iron pentacarbonyl ipc  
2115 Fe(C5H5)2 ferrocene fecp2  
2116 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2117 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2118 C12H8 Acenaphthylene acenaph  
2119 C12H8 biphenylene biph  
2120 C12H10 biphenyl biphenyl  
2121 C12H10 Heptalene heptalene  
2122 C6H12O6 Inositol inositol  
2123 C6F6 hexafluorobenzene c6f6  
2124 S2F10 disulphur decafluoride s2f10  
2125 C13H10 Fluorene fluorene  
2126 C14H10 Anthracene anth  
2127 C14H10 Phenanthrene phenanthrene  
2128 C14H14 Bibenzyl bibenzyl  
2129 C12H10N2 azobenzene azobenzene  
2130 C6H5COC6H5 benzophenone benzophenone  
2131 C16H10 Pyrene pyrene  
2132 C18H12 Tetracene tetracene  
2133 C19H16 Triphenylmethane tpm  
2134 C24H12 Coronene coronene  
2135 C60 Buckminsterfullerene c60