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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at PBEPBEultrafine /cc-pCVDZ

Jump to calculations not yet done
count Species Name State Conformation
1 BeH beryllium monohydride 2ΣC∞v
2 HS Mercapto radical 2ΠC∞v
3 H2S Hydrogen sulfide 1A1C2v
4 H2S+ Hydrogen sulfide cation 2B1C2v
5 H3S+ Sulfonium cation 1A1C3v
6 HCl Hydrogen chloride 1ΣC∞v
7 HCl+ hydrogen chloride cation 2ΠC∞v
8 H2Cl+ dihydrogen monochloride cation 1A1C2v
9 Li2 Lithium diatomic 1ΣgD∞v
10 Na2 Sodium diatomic 1ΣgD∞h
11 LiB Lithium boride 3ΠC∞v
12 C2H4 Ethylene 1AgD2h
13 Si2H6 disilane 1EuD3d
14 CN Cyano radical 2ΣC∞v
15 HCN Hydrogen cyanide 1ΣC∞v
16 NNH+ Dinitrogen monohydride cation 1ΣC∞v
17 CaS Calcium sulfide 1ΣC∞v
18 BO boron monoxide 2ΣC∞v
19 CO Carbon monoxide 1ΣC∞v
20 CO- carbon monoxide anion 2ΠC∞v
21 CO+ carbon monoxide cation 2ΣC∞v
22 NS Mononitrogen monosulfide 2ΠC∞v
23 PO Phosphorus monoxide 2ΠC∞v
24 O2 Oxygen diatomic 3ΣgD∞h
25 SO Sulfur monoxide 3ΣC∞v
26 CH3SH Methanethiol 1A'Cs
27 CH3SH2+ protonated methylsulfide 1A'Cs
28 LiF lithium fluoride 1ΣC∞v
29 LiCl lithium chloride 1ΣC∞v
30 NaF sodium fluoride 1ΣC∞v
31 NaCl Sodium Chloride 1ΣC∞v
32 NCl nitrogen monochloride 3ΣC∞v
33 ClO Monochlorine monoxide 2ΠC∞v
34 SCl sulfur monochloride 2ΠC∞v
35 ClF Chlorine monofluoride 1Σ+C∞v
36 Cl2+ chlorine diatomic cation 2ΠgD∞h
37 CH3Cl Methyl chloride 1A1C3v
38 Si3H8 trisilane   
39 CO2 Carbon dioxide 1ΣgD∞h
40 NSO sulfinyl amidogen   
41 SNO Nitrogen oxide sulfide   
42 BH3CO Borane carbonyl 1A1C3v
43 FNS Thionitrosyl fluoride 1A'Cs
44 FSN Thiazyl fluoride 1A'Cs
45 OClO Chlorine dioxide 2B1D∞h
46 ClSO Sulfur chloride oxide 2A"Cs
47 FClO chlorosyl fluoride 1A'Cs
48 ClOF Chlorine hypofluorite 1A'Cs
49 S2N2 Disulfur dinitride 1AGD2h
50 BF3 Borane, trifluoro- 1A'D3h
51 AlF3 Aluminum trifluoride 1A1'D3h
52 ClO2F Chloryl fluoride 1A'Cs
53 SiF5- silicon pentafluoride anion   

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- berylium monohydride anion beh-  
53 BeH+ beryllium monohydride cation beh+  
54 MgH magnesium monohydride mgh  
55 MgH- magnesium monohydride anion mgh-  
56 MgH+ magnesium monohydride cation mgh+  
57 CaH Calcium monohydride cah  
58 CaH+ Calcium monohydride cation cah+  
59 TiH Titanium monohydride tih  
60 ZnH Zinc monohydride znh  
61 ZnH+ Zinc, protonated znh+  
62 BeH2 beryllium dihydride beh2  
63 BeH2+ Beryllium dihydride cation beh2+  
64 MgH2 magnesium dihydride mgh2  
65 CaH2 Calcium Hydride cah2  
66 ZnH2 Zinc hydride znh2  
67 B Boron atom b  
68 B- Boron atom anion b-  
69 B+ Boron atom cation b+  
70 Al Aluminum atom al  
71 Al- Aluminum atom anion al-  
72 Al+ Aluminum atom cation al+  
73 Sc Scandium atom sc  
74 Sc+ Scandium cation sc+  
75 Ga Gallium atom ga  
76 Ga- Gallium atom anion ga-  
77 Ga+ Gallium atom cation ga+  
78 BH Boron monohydride bh  
79 BH- boron monohydride anion bh-  
80 BH+ boron monohydride cation bh+  
81 AlH aluminum monohydride alh  
82 AlH- aluminum monohydride anion alh-  
83 AlH+ aluminum monohydride cation alh+  
84 ScH Scandium monohydride sch  
85 ScH+ Scandium monohydride cation sch+  
86 GaH Gallium monohydride gah  
87 GaH+ Gallium monohydride cation gah+  
88 BH2 boron dihydride bh2  
89 BH2- boron dihydride anion bh2-  
90 BH2+ Boron dihydride cation bh2+  
91 AlH2 aluminum dihydride alh2  
92 AlH2- aluminum dihydride anion alh2-  
93 AlH2+ aluminum dihydride cation alh2+  
94 BH3 boron trihydride bh3  
95 BH3- boron trihydride anion bh3-  
96 BH3+ boron trihydride cation bh3+  
97 AlH3 aluminum trihydride alh3  
98 AlH3- aluminum trihydride anion alh3-  
99 AlH3+ aluminum trihydride cation alh3+  
100 ScH3 Scandium trihydride sch3  
101 GaH3 Gallium trihydride gah3  
102 BH4 borohydride bh4  
103 BH4- borohydride anion bh4-  
104 AlH4- Aluminum tetrahydride anion alh4-  
105 C Carbon atom c  
106 C- Carbon atom anion c-  
107 C+ Carbon atom cation c+  
108 Si Silicon atom si  
109 Si- Silicon atom anion si-  
110 Si+ Silicon atom cation si+  
111 Ti Titanium atom ti  
112 Ti- Titanium atom anion ti-  
113 Ti+ Titanium atom cation ti+  
114 Ge Germanium atom ge  
115 Ge- Germanium anion ge-  
116 Ge+ Germanium cation ge+  
117 Sn Tin atom sn  
118 Sn+ Tin cation sn+  
119 CH Methylidyne ch  
120 CH- methylidyne anion ch-  
121 CH+ Methylidyne cation ch+  
122 SiH Silylidyne sih  
123 SiH- silicon monohydride anion sih-  
124 SiH+ silicon monohydride cation sih+  
125 GeH germylidene geh  
126 GeH+ Germaniun monohyrdide cation geh+  
127 CH2 Methylene ch2  
128 CH2- methylene anion ch2-  
129 CH2+ methylene cation ch2+  
130 SiH2 silicon dihydride sih2  
131 SiH2- silicon dihydride anion sih2-  
132 SiH2+ silicon dihydride cation sih2+  
133 GeH2 germylene geh2  
134 GeH2- germylene anion geh2-  
135 CH3 Methyl radical ch3  
136 CH3- methyl anion ch3-  
137 CH3+ methyl cation ch3+  
138 SiH3 Silyl radical sih3  
139 SiH3- Silyl anion sih3-  
140 SiH3+ Silyl cation sih3+  
141 GeH3 Germyl radical geh3  
142 GeH3+ germyl cation geh3+  
143 CD4 methane-d4 cd4  
144 CH2D2 methane-d2 ch2d2  
145 CH3D methane-d ch3d  
146 CH4 Methane ch4  
147 CH4- Methane anion ch4-  
148 CH4+ Methane cation ch4+  
149 CHD3 methane-d3 chd3  
150 SiH2D2 silane-d2 sih2d2  
151 SiH4 Silane sih4  
152 SiH4+ Silane cation sih4+  
153 GeH4 Germane geh4  
154 SnH4 Stannane snh4  
155 SiH5+ Silane, protonated sih5+  
156 N Nitrogen atom n  
157 N- Nitrogen atom anion n-  
158 N+ Nitrogen atom cation n+  
159 P Phosphorus atom p  
160 P- Phosphorus atom anion p-  
161 P+ Phosphorus atom cation p+  
162 V Vanadium atom v  
163 V+ Vanadium atom cation v+  
164 As Arsenic atomic as  
165 As- Arsenic anion as-  
166 As+ Arsenic cation as+  
167 Sb Antimony atom sb  
168 NH Imidogen nh  
169 NH- Imidogen anion nh-  
170 NH+ imidogen cation nh+  
171 PH phosphorus monohydride ph  
172 PH- phosphorus monohydride anion ph-  
173 PH+ phosphorus monohydride cation ph+  
174 AsH Arsenic monohydride ash  
175 AsH+ Arsenic monohydride cation ash+  
176 SbH Antimony monohydride sbh  
177 ND2 Amidogen-d2 nd2  
178 NH2 Amino radical nh2  
179 NH2- amino anion nh2-  
180 NH2+ Amino cation nh2+  
181 PH2 Phosphino radical ph2  
182 PH2- Phosphino anion ph2-  
183 PH2+ Phosphino cation ph2+  
184 AsH2 Arsenic dihydride ash2  
185 AsH2+ Arsenic dihydride cation ash2+  
186 ND3 Ammonia-d3 nd3  
187 NH3 Ammonia nh3  
188 NH3- Ammonia anion nh3-  
189 NH3+ ammonia cation nh3+  
190 PH3 Phosphine ph3  
191 PH3+ Phosphine cation ph3+  
192 AsH3 Arsine ash3  
193 AsH3+ Arsine cation ash3+  
194 SbH3 Stibine sbh3  
195 AsH4+ Arsonium ash4+  
196 NH4 Ammonium radical nh4  
197 NH4+ ammonium cation nh4+  
198 PH4 Phosphoranyl radical ph4  
199 PH4+ phosphonium cation ph4+  
200 O Oxygen atom o  
201 O- Oxygen atom anion o-  
202 O+ Oxygen atom cation o+  
203 S Sulfur atom s  
204 S- Sulfur atom anion s-  
205 S+ Sulfur atom cation s+  
206 Cr Chromium atom cr  
207 Se Selenium atom se  
208 Se- Selenium atom anion se-  
209 Se+ Selenium atom cation se+  
210 Te Tellurium atom te  
211 Te+ Tellurium atom cation te+  
212 DO Hydroxyl-d od  
213 OH Hydroxyl radical oh  
214 OH- hydroxide anion oh-  
215 OH+ hydoxyl cation oh+  
216 DS Mercapto-d ds  
217 HS- mercapto anion sh-  
218 HS+ sulfur monohydride cation sh+  
219 CrH Chromium hydride crh  
220 CrH+ Chromium hydride cation crh+  
221 HSe Selenium monohydride hse  
222 HSe- selenium monohydride anion hse-  
223 HSe+ selenium monohydride cation hse+  
224 TeH Telluryl radical teh  
225 D2O Deuterium oxide d2o  
226 H2O Water h2o  
227 H2O- water anion h2o-  
228 H2O+ water cation h2o+  
229 HDO Water-d1 hdo  
230 D2S Hydrogen sulfide-d2 d2s  
231 H2S- Hydrogen sulfide anion h2s-  
232 H2Se Hydrogen selenide h2se  
233 H2Se+ Hydrogen selenide cation h2se+  
234 H2Te Hydrogen Telluride h2te  
235 H3O+ hydronium cation h3o+  
236 H3Se+ Hydrogen Selenide, protonated h3se+  
237 F Fluorine atom f  
238 F- Fluorine atom anion f-  
239 F+ Fluorine atom cation f+  
240 Cl Chlorine atom cl  
241 Cl- Chlorine atom anion cl-  
242 Cl+ Chlorine atom cation cl+  
243 Mn Manganese atom mn  
244 Br Bromine atom br  
245 Br- Bromine atom anion br-  
246 Br+ Bromine atom cation br+  
247 I Iodine atom iodine  
248 I- Iodine atom anion iodine-  
249 I+ Iodine atom cation iodine+  
250 DF Hydrofluoric acid-d df  
251 HF Hydrogen fluoride hf  
252 HF- hydrogen fluoride anion hf-  
253 HF+ hydrogen fluoride cation hf+  
254 DCl Hydrochloric acid-d dcl  
255 HCl- hydrogen chloride anion hcl-  
256 HBr hydrogen bromide hbr  
257 HBr- hydrogen bromide anion hbr-  
258 HBr+ hydrogen bromide cation hbr+  
259 HI Hydrogen iodide hi  
260 HI+ Hydrogen iodide cation hi+  
261 H2F+ dihydrogen fluoride cation h2f+  
262 H2Br+ protonated hydrogen bromide h2br+  
263 H2I+ Iodonium h2i+  
264 Ne Neon atom ne  
265 Ne- Neon atom anion ne-  
266 Ne+ Neon atom cation ne+  
267 Ar Argon atom ar  
268 Ar- Argon atom anion ar-  
269 Ar+ Argon atom cation ar+  
270 Fe Iron atom fe  
271 Kr Krypton atom kr  
272 Kr+ Krypton cation kr+  
273 Xe Xenon atom xe  
274 HeLi+ Helium Lithium cation heli+  
275 NeH neon hydrogen neh  
276 NeH+ neon hydrogen cation neh+  
277 ArH+ Argon hydride cation arh+  
278 KrH+ Protonated Krypton krh+  
279 XeH+ Xenon, protonated xeh+  
280 H2Ar H2 Ar dimer h2ar  
281 Co Cobalt atom cobalt  
282 Ni Nickel atom ni  
283 Li2- lithium diatomic anion li2-  
284 Li2+ lithium diatomic cation li2+  
285 NaLi lithium sodium lina  
286 NaLi- lithium sodium anion lina-  
287 NaLi+ lithium sodium cation lina+  
288 LiK Lithium Potassium lik  
289 Na2- sodium diatomic anion na2-  
290 Na2+ sodium diatomic cation na2+  
291 NaK Sodium Potassium nak  
292 NaK+ Sodium Potassium diatomic cation nak+  
293 K2 Potassium diatomic k2  
294 Cu2 Copper diatomic cu2  
295 LiBe Lithium Beryllium libe  
296 LiMg Lithium magnesium limg  
297 NaBe Sodium Beryllium nabe  
298 NaMg Sodium Magnesium namg  
299 Be2 Beryllium diatomic be2  
300 Be2- Beryllium diatomic anion be2-  
301 Be2+ Beryllium diatomic cation be2+  
302 BeMg Beryllium Magnesium bemg  
303 Mg2 Magnesium diatomic mg2  
304 Mg2- magnesium diatomic anion mg2-  
305 Mg2+ magnesium diatomic cation mg2+  
306 Ca2 Calcium diatomic ca2  
307 LiAl Lithium Aluminum lial  
308 NaAl Sodium aluminum naal  
309 BeB Beryllium monoboride beb  
310 B2 Boron diatomic b2  
311 B2- Boron diatomic anion b2-  
312 B2+ Boron diatomic cation b2+  
313 BAl Boron Aluminum bal  
314 Al2 Aluminum diatomic al2  
315 Al2- aluminum diatomic anion al2-  
316 Al2+ aluminum diatomic cation al2+  
317 BGa Boron Gallium bga  
318 AlGa Aluminum Gallium alga  
319 Ga2 Gallium diatomic ga2  
320 HBBH Diborane(2) hbbh  
321 LiBH4 Lithium borohydride libh4  
322 B2H4 Diborane(4) D2d b2h4  
323 HBHHBH Diborane(4) C2V hbhhbh  
324 B2H6 Diborane b2h6  
325 B2H6+ Diborane cation b2h6  
326 Al2H6 dialane al2h6  
327 Ga2H6 digallane ga2h6  
328 LiC Lithium Carbide lic  
329 BeC Beryllium Carbide bec  
330 CaC Calcium monocarbide cac  
331 BC boron monocarbide bc  
332 BC- boron monocarbide anion bc-  
333 BC+ boron monocarbide cation bc+  
334 AlC Aluminum carbide alc  
335 BSi Boron silicide bsi  
336 C2 Carbon diatomic c2  
337 C2- carbon diatomic anion c2-  
338 C2+ carbon diatomic cation c2+  
339 SiC silicon monocarbide sic  
340 SiC- silicon monocarbide anion sic-  
341 SiC+ silicon monocarbide cation sic+  
342 Si2 Silicon diatomic si2  
343 Si2- silcon diatomic anion si2-  
344 Si2+ silcon diatomic cation si2+  
345 GeC Germanium monocarbide gec  
346 SiGe Silicon Germanium sige  
347 Ge2 Germanium diatomic ge2  
348 C2H Ethynyl radical c2h  
349 C2H- Ethynyl anion c2h-  
350 C2H+ Ethynyl cation c2h+  
351 ZnCH2 Zinc methylene znch2  
352 C2H2 Acetylene c2h2  
353 C2H2+ acetylene cation c2h2+  
354 CCH2 vinylidene vinylidene  
355 H2CC- vinylidene anion h2cc-  
356 HCCH- acetylene anion c2h2-  
357 Si2H2 disilyne si2h2  
358 CH3Li methyl lithium ch3li  
359 CuCH3 monomethyl copper cuch3  
360 ZnCH3 Zinc monomethyl znch3  
361 CH2BH methyleneborane ch2bh  
362 C2H3 vinyl c2h3  
363 C2H3- vinyl anion c2h3-  
364 C2H3+ vinyl cation c2h3+  
365 C2H4- Ethylene anion c2h4-  
366 C2H4+ Ethylene cation c2h4+  
367 CH3CH methylmethylene ch3ch  
368 CH2SiH2 silaethylene ch2sih2  
369 Si2H4 Disilene si2h4  
370 CH3BH2 methylborane ch3bh2  
371 C2H5 Ethyl radical c2h5  
372 C2H5- Ethyl anion c2h5-  
373 C2H5+ Ethyl cation c2h5+  
374 C2H6 Ethane c2h6  
375 C2H6+ ethane cation c2h6+  
376 CH3SiH3 methyl silane ch3sih3  
377 GeH3CH3 methyl germane geh3ch3  
378 C2H7+ Ethane, protonated c2h7+  
379 LiN Lithium Nitride lin  
380 LiN+ Lithium Nitride cation lin+  
381 LiP Lithium monophosphide lip  
382 BeN Beryllium mononitride ben  
383 BeN- Beryllium mononitride anion ben-  
384 BeN+ Beryllium mononitride cation ben+  
385 MgN Magnesium Nitride mgn  
386 BN- boron nitride anion bn-  
387 AlN- aluminum mononitride anion aln-  
388 AlN+ aluminum mononitride cation aln+  
389 BP Boron monophosphide bp  
390 AlP Aluminum monophosphide alp  
391 GaN Gallium mononitride gan  
392 GaP Gallium monophosphide gap  
393 GaAs Gallium arsenide gaas  
394 BN boron nitride bn  
395 BN+ boron nitride cation bn+  
396 AlN Aluminum nitride aln  
397 CN- cyanide anion cn-  
398 CN+ Cyano cation cn+  
399 CP Carbon monophosphide cp  
400 CP- carbon monophosphide anion cp-  
401 CP+ carbon monophosphide cation cp+  
402 SiN Silicon nitride sin  
403 SiN- silicon mononitride anion sin-  
404 SiN+ silicon mononitride cation sin+  
405 SiP Silicon monophosphide sip  
406 SiP- Silicon monophosphide anion sip-  
407 SiP+ Silicon monophosphide cation sip+  
408 TiN Titanium mononitride tin  
409 N2 Nitrogen diatomic n2  
410 N2- nitrogen diatomic anion n2-  
411 N2+ diatomic nitrogen cation n2+  
412 PN Phosphorus mononitride pn  
413 PN- phosphorus nitride anion pn-  
414 PN+ phosphorus nitride cation pn+  
415 P2 Phosphorus diatomic p2  
416 P2- phosphorus diatomic anion p2-  
417 P2+ phosphorus diatomic cation p2+  
418 AsN Arsenic mononitride asn  
419 AsP Arsenic monophosphide asp  
420 SbN Antimony nitride sbn  
421 As2 Arsenic diatomic as2  
422 HNB hydrogen nitrogen boron hnb  
423 HNC hydrogen isocyanide hnc  
424 HCN- Hydrogen cyanide anion hcn-  
425 HCN+ hydrogen cyanide cation hcn+  
426 HNC+ hydrogen isocyanide cation hnc+  
427 HCP Phosphaethyne hcp  
428 HCP+ Phosphaethyne cation hcp+  
429 NNH Dinitrogen monohydride nnh  
430 HPO Hydrogen phosphorus oxide hpo  
431 HPO+ Hydrogen phosphorus oxide cation hpo+  
432 LiNH2 lithium amide linh2  
433 HBNH Boranimine hbnh  
434 CNH2 Aminomethylidyne radical cnh2  
435 CNH2+ N-protonated hydrogen isocyanide cnh2+  
436 H2CN Dihydrogen cyanide radical h2cn  
437 H2CN+ hydrocyanonium cation h2cn+  
438 HCNH methyleneazane hcnh  
439 HCNH+ N-protonated HCN hcnh+  
440 H2NN Isodiazene h2nn  
441 N2H2 (E)-diazene n2h2  
442 N2H2 (Z)-Diazene n2h2z  
443 N2H2+ trans-diazene cation n2h2+  
444 CH2NH Methanimine ch3n  
445 CH2NH+ Methanimine cation ch2nh+  
446 CHNH2 aminomethylene chnh2  
447 CHNH2+ Aminocarbene cation chnh2+  
448 CH2PH Phosphaethene ch3p  
449 BH2NH2 Boranamine bh2nh2  
450 CH2NH2+ methyleneamine cation ch2nh2+  
451 N2H4 Hydrazine n2h4  
452 N2H4+ hydrazine cation n2h4+  
453 P2H4 Diphosphine p2h4  
454 CH3NH2 methyl amine ch3nh2  
455 CH3NH2+ methyl amine cation ch3nh2+  
456 CH3PH2 Methyl phosphine ch3ph2  
457 SiH3NH2 Silane, amino sih3nh2  
458 N2H5+ protonated hydrazine n2h5+  
459 BH3PH3 borane phosphine bh3ph3  
460 BH3NH3 borane ammonia bh3nh3  
461 CH3NH3 methyl ammonium radical ch3nh3  
462 CH3NH3+ protonated methylamine ch3nh3+  
463 CH3PH3+ methyl phosphine, protonated ch3ph3+  
464 NH3NH3 Ammonia Dimer nh3nh3  
465 N2H7+ ammonia ammonium dimer n2h7+  
466 LiO lithium oxide lio  
467 LiO- lithium oxide anion lio-  
468 LiO+ lithium oxide cation lio+  
469 LiS Lithium monosulfide lis  
470 LiS+ Lithium sulfide cation lis+  
471 NaO sodium monoxide nao  
472 NaO- sodium oxide anion nao-  
473 NaO+ sodium oxide cation nao+  
474 KO Potassium monoxide ko  
475 KO+ Potassium monoxide cation ko+  
476 NaS Sodium sulfide nas  
477 CuO Copper Monoxide cuo  
478 LiSe Lithium monoselenide lise  
479 BeO beryllium oxide beo  
480 BeO- Beryllium monoxide anion beo-  
481 BeO+ Beryllium monoxide cation beo+  
482 BeS beryllium sulfide bes  
483 MgO magnesium oxide mgo  
484 MgO- magnesium oxide anion mgo-  
485 MgO+ magnesium oxide cation mgo+  
486 CaO Calcium monoxide cao  
487 MgS magnesium sulfide mgs  
488 MgS- magnesium sulfide anion mgs-  
489 MgS+ magnesium sulfide cation mgs+  
490 ZnO zinc monoxide zno  
491 ZnS Zinc sulfide zns  
492 BeS- Beryllium monosulfide anion bes-  
493 BeS+ Beryllium monosulfide cation bes+  
494 BO- boron monoxide anion bo-  
495 AlO Aluminum monoxide alo  
496 AlO- Aluminum monoxide anion alo-  
497 AlO+ aluminum monoxide cation alo+  
498 BS boron sulfide bs  
499 BS- boron monosulfide anion bs-  
500 BS+ boron monosulfide cation bs+  
501 AlS Aluminum sulfide als  
502 AlS- aluminum monosulfide anion als-  
503 AlS+ aluminum monosulfide cation als+  
504 ScO Scandium monoxide sco  
505 GaO Gallium monoxide gao  
506 GaS Gallium monosulfide gas  
507 BO+ boron monoxide cation bo+  
508 CS carbon monosulfide cs  
509 CS- carbon monosulfide anion cs-  
510 CS+ carbon monosulfide cation cs+  
511 SiO Silicon monoxide sio  
512 SiO- silicon monoxide anion sio-  
513 SiO+ silicon monoxide cation sio+  
514 SiS silicon monosulfide sis  
515 SiS- silicon monosulfide anion sis-  
516 SiS+ silicon monosulfide cation sis+  
517 TiO Titanium monoxide tio  
518 CSe Carbon monoselenide cse  
519 CSe- Carbon monoselenide anion cse-  
520 CSe+ Carbon monoselenide cation cse+  
521 GeO Germanium monoxide geo  
522 GeO+ Germanium monoxide cation geo+  
523 GeS Germanium monosulfide ges  
524 SiSe Silicon Monoselenide sise  
525 SiSe+ Silicon Monoselenide cation sise+  
526 GeSe Germanium monoselenide gese  
527 NO Nitric oxide no  
528 NO- nitric oxide anion no-  
529 NO+ nitric oxide cation no+  
530 NS- nitrogen sulfide anion ns-  
531 NS+ nitrogen sulfide cation ns+  
532 PO- phosphorus monoxide anion po-  
533 PO+ phosphorus monoxide cation po+  
534 PS phosphorus sulfide ps  
535 PS- phosphorus monosulfide anion ps-  
536 PS+ phosphorus monosulfide cation ps+  
537 VO Vanadium monoxide vo  
538 AsO Arsenic monoxide aso  
539 NSe Nitrogen monoselenide nse  
540 AsS Arsenic monosulfide ass  
541 PSe Phosphorus monoselenide pse  
542 AsSe Arsenic monoselenide asse  
543 O2- oxygen diatomic anion o2-  
544 O2-- dioxygen dianion o2--  
545 O2+ diatomic oxygen cation o2+  
546 SO- sulfur monoxide anion so-  
547 SO+ sulfur monoxide cation so+  
548 S2 Sulfur diatomic s2  
549 S2- sulfur diatomic anion s2-  
550 S2+ sulfur diatomic cation s2+  
551 SeO Selenium monoxide seo  
552 SeO- selenium monoxide anion seo-  
553 SeO+ selenium monoxide cation seo+  
554 SeS Selenium monosulfide ses  
555 SeS- selenium monosulfide anion ses-  
556 SeS+ selenium monosulfide cation ses+  
557 TeO Tellurium monoxide teo  
558 Se2 Selenium diatomic se2  
559 Se2- selenium diatomic anion se2-  
560 Se2+ selenium diatomic cation se2+  
561 Te2 Tellurium diatomic te2  
562 LiOH lithium hydroxide lioh  
563 NaOH sodium hydroxide naoh  
564 KOH Potassium hydroxide koh  
565 BeOH beryllium monohydroxide beoh  
566 MgOH magnesium hydroxide mgoh  
567 CaOH Calcium monohydroxide caoh  
568 HBO Boron hydride oxide hbo  
569 HBS hydrogen boron sulfide hbs  
570 COH Hydroxymethylidyne coh  
571 COH+ Carbon Monoxide, protonated coh+  
572 HCO Formyl radical hco  
573 HCO- formyl anion hco-  
574 HCO+ Formyl cation hco+  
575 HCS Thioformyl radical hcs  
576 HCS- Thioformyl anion hcs-  
577 HCS+ Thioformyl cation hcs+  
578 HNO Nitrosyl hydride hno  
579 HNO- Nitrosyl hydride anion hno-  
580 HNO+ Nitrosyl hydride cation hno+  
581 NOH Hydroxyimidogen noh  
582 NOH+ O-protonated nitric oxide noh+  
583 HNS Sulfur imide hns  
584 HNS- Sulfur imide anion hns-  
585 HO2 Hydroperoxy radical ho2  
586 HO2- Hydroperoxy anion ho2-  
587 HO2+ Hydroperoxy cation ho2+  
588 HSO+ Sulfur Monoxide, S-protonated HSO+  
589 SOH Sulfur Hydroxide soh  
590 SOH+ Sulfur Monoxide, protonated soh+  
591 HS2 Thiosulfeno radical hs2  
592 H2CO Formaldehyde h2co  
593 H2CO- formaldehyde anion h2co-  
594 H2CO+ formaldehyde cation h2co+  
595 HOCH hydroxycarbene hoch  
596 H2CS Thioformaldehyde h2cs  
597 H2CS- thioformaldehyde anion h2cs-  
598 H2CS+ thioformaldehyde cation h2cs+  
599 H2CSe Selenoformaldehyde h2cse  
600 H2NO nitroxide h2no  
601 H2O2 Hydrogen peroxide h2o2  
602 H2O2+ Hydrogen peroxide cation h2o2+  
603 H2OO water oxide h2oo  
604 HOSH hydrogen thioperoxide hosh  
605 H2S2 Disulfane h2s2  
606 H2S2+ hydrogen disulfide cation h2s2+  
607 H2Se2 hydrogen diselenide h2se2  
608 CH2OH Hydroxymethyl radical ch2oh  
609 CH2OH+ hydroxymethyl cation ch2oh+  
610 CH3O Methoxy radical ch3o  
611 CH3O- methoxy anion ch3o-  
612 CH3O+ Methoxy cation ch3o+  
613 CH3S thiomethoxy ch3s  
614 H2CSH+ Thioformaldehyde, protonated h2csh+  
615 NH2OH hydroxylamine nh2oh  
616 NH2OH+ Hydroxylamine cation nh2oh+  
617 NH3O Ammonia Oxide nh3o  
618 H2POH Phosphinous acid h2poh  
619 H3PO Phosphine oxide h3po  
620 NH2SH Thiohydroxylamine nh2sh  
621 NH3S sulfidoazane nh3s  
622 H3O2+ hydrogen peroxide, protonated h3o2+  
623 CH3OH Methyl alcohol ch3oh  
624 CH3OH- Methyl alcohol anion ch3oh-  
625 CH3OH+ Methyl alcohol cation ch3oh+  
626 CH3SH+ Methanethiol cation ch3sh+  
627 SiH3OH silanol sih3oh  
628 CH3SeH Methane selenol ch3seh  
629 NH2OH2+ protonated hydroxylamine nh2oh2+  
630 NH3OH+ N-protonated hydroxylamine nh3oh+  
631 H2OH2O water dimer h2oh2o  
632 CH3OH2+ Methanol, protonated ch3oh2+  
633 H2ONH3 Water Ammonia Dimer h2onh3  
634 H5O2+ Dihydroxonium ion h5o2+  
635 LiCl- lithium chloride anion licl-  
636 LiCl+ lithium chloride cation licl+  
637 NaF- sodium fluoride anion naf-  
638 NaF+ sodium fluoride cation naf+  
639 KF Potassium Fluoride kf  
640 NaCl- sodium chloride anion nacl-  
641 NaCl+ sodium chloride cation nacl+  
642 KCl Potassium Chloride kcl  
643 CuF Copper monofluoride cuf  
644 LiBr Lithium Bromide libr  
645 LiBr- lithium bromide anion libr-  
646 LiBr+ lithium bromide cation libr+  
647 CuCl Copper monochloride cucl  
648 NaBr Sodium Bromide nabr  
649 NaBr- sodium bromide anion nabr-  
650 NaBr+ sodium bromide cation nabr+  
651 KBr Potassium Bromide kbr  
652 LiI Lithium Iodide lii  
653 NaI Sodium Iodide nai  
654 KI Potassium Iodide ki  
655 LiF- lithium fluoride anion lif-  
656 LiF+ lithium fluoride cation lif+  
657 BeF Beryllium monofluoride bef  
658 BeF- Beryllium monofluoride anion bef-  
659 BeF+ Beryllium monofluoride cation bef+  
660 BeCl beryllium monochloride becl  
661 MgF Magnesium monofluoride mgf  
662 MgF- magnesium fluoride anion mgf-  
663 MgF+ magnesium fluoride cation mgf+  
664 CaF Calcium monofluoride caf  
665 MgCl magnesium monochloride mgcl  
666 MgCl- magnesium monochloride anion mgcl-  
667 MgCl+ magnesium monochloride cation mgcl+  
668 CaCl calcium monochloride cacl  
669 TiCl Titanium Monochloride ticl  
670 ZnF Zinc monofluoride znf  
671 ZnF- Zinc monofluoride anion znf-  
672 ZnF+ Zinc monofluoride cation znf+  
673 ZnCl Zinc monochloride zncl  
674 CaBr Calcium monobromide cabr  
675 BeCl- beryllium monochloride anion becl-  
676 BeCl+ beryllium monochloride cation becl+  
677 BF Boron monofluoride bf  
678 BF- Boron monofluoride anion bf-  
679 BF+ Boron monofluoride cation bf+  
680 AlF Aluminum monofluoride alf  
681 AlF- Aluminum monofluoride anion alf-  
682 AlF+ Aluminum monofluoride cation alf+  
683 BCl boron monochloride bcl  
684 BCl- boron monochloride anion bcl-  
685 BCl+ boron monochloride cation bcl+  
686 AlCl Aluminum monochloride alcl  
687 AlCl- aluminum monochloride anion alcl-  
688 AlCl+ aluminum monochloride cation alcl+  
689 ScF Scandium monofluoride scf  
690 BBr Boron monobromide bbr  
691 GaF Gallium monofluoride gaf  
692 GaF+ Gallium monofluoride cation gaf+  
693 AlBr Aluminum monobromide albr  
694 GaCl Gallium monochloride gacl  
695 GaCl+ Gallium monochloride cation gacl+  
696 AlI Aluminum monoiodide ali  
697 GaBr Gallium monobromide gabr  
698 CF Fluoromethylidyne cf  
699 CF- carbon monofluoride anion cf-  
700 CF+ carbon monofluoride cation cf+  
701 CCl carbon monochloride ccl  
702 CCl- carbon monochloride anion ccl-  
703 CCl+ carbon monochloride cation ccl+  
704 SiF silicon monofluoride sif  
705 SiF- silicon monofluoride anion sif-  
706 SiF+ silicon monofluoride cation sif+  
707 SiCl Clorosilylidyne sicl  
708 SiCl- silicon monochloride anion sicl-  
709 SiCl+ silicon monochloride cation sicl+  
710 CBr Carbon monobromide cbr  
711 GeF Germanium monofluoride gef  
712 GeF+ Germanium monofluoride cation gef+  
713 GeCl Germanium monochloride gecl  
714 GeCl+ Germanium monochloride cation gecl+  
715 SiBr Silicon monobromide sibr  
716 SiBr+ Silicon monobromide cation sibr+  
717 NF nitrogen fluoride nf  
718 NF- nitrogen monofluorine anion nf-  
719 NF+ nitrogen monofluoirde cation nf+  
720 NCl- nitrogen monochloride anion ncl-  
721 NCl+ nitrogen monochloride cation ncl+  
722 PF phosphorus monofluoride pf  
723 PF- phosphorus monofluoride anion pf-  
724 PF+ phosphorus monofluoride cation pf+  
725 PCl phosphorus chloride pcl  
726 PCl- phosphorus monochloride anion pcl-  
727 PCl+ phosphorus monochloride cation pcl+  
728 AsF Arsenic monofluoride asf  
729 NBr nitrogen monobromide nbr  
730 AsCl Arsenic monochloride ascl  
731 PBr Phosphorus monobromide pbr  
732 SbF Antimony monofluoride sbf  
733 SbCl Antimony monochloride sbcl  
734 FO Oxygen monofluoride fo  
735 FO- flourine oxide anion fo-  
736 FO+ fluorine monoxide cation fo+  
737 ClO- chlorine monoxide anion clo-  
738 ClO+ chlorine monoxide cation clo+  
739 SF Monosulfur monofluoride sf  
740 SF- sulfur monofluoride anion sf-  
741 SF+ sulfur monofluoride cation sf+  
742 SCl- sulfur monochloride anion scl-  
743 SCl+ sulfur monochloride cation scl+  
744 BrO Bromine monoxide bro  
745 BrO- Bromine monoxide anion bro-  
746 BrO+ Bromine monoxide cation bro+  
747 SeF Selenium monofluoride sef  
748 SBr Sulfur monobromide radical sbr  
749 SBr+ Sulfur monobromide cation sbr+  
750 SeCl Selenium monochloride secl  
751 IO Iodine monoxide io  
752 SeBr Selenium monobromide sebr  
753 BrCl Bromine monochloride brcl  
754 F2 Fluorine diatomic f2  
755 F2- flourine diatomic anion f2-  
756 F2+ flourine diatomic cation f2+  
757 ClF- clorine monofluoride anion clf-  
758 ClF+ clorine monofluoride cation clf+  
759 Cl2 Chlorine diatomic cl2  
760 Cl2- chlorine diatomic anion cl2-  
761 BrF Bromine monofluoride brf  
762 BrF- bromine fluoride anion brf-  
763 BrF+ bromine fluoride cation brf+  
764 BrCl- bromine chloride anion brcl-  
765 BrCl+ bromine chloride cation brcl+  
766 IF Iodine monofluoride if  
767 Br2 Bromine diatomic br2  
768 Br2- bromine diatomic anion br2-  
769 Br2+ bromine diatomic cation br2+  
770 ICl Iodine monochloride icl  
771 IBr Iodine monobromide ibr  
772 I2 Iodine diatomic i2  
773 I2+ Iodine diatomic cation i2+  
774 HCF Fluoromethylene hcf  
775 HCCl Chloromethylene hccl  
776 HSiF fluorosilylene hsif  
777 HSiCl Chlorosilylene hsicl  
778 HSiBr monobromosilylene hsibr  
779 CHBr bromomethylene chbr  
780 HOF Hypofluorous acid hfo  
781 DOCl Hypochlorous acid-d docl  
782 HOCl hypochlorous acid hocl  
783 HOCl+ hypochlorous acid cation hocl+  
784 HOBr Hypobromous acid hobr  
785 HOBr+ Hypobromous acid cation hobr+  
786 HOI Hypoiodous acid hoi  
787 F2H+ Fluorine, protonated f2h+  
788 FHF Hydrogen difluoride fhf  
789 FHF- Hydrogen difluoride anion fhf-  
790 ClFH+ Chlorine fluoride, F-protonated clfh+  
791 FClH+ Chlorine fluoride, Cl-protonated fclh+  
792 Cl2H+ Chlorine, protonated cl2h+  
793 CH2Br bromomethyl radical ch2br  
794 CH2F fluoromethyl radical ch2f  
795 CH2F+ fluoromethyl cation ch2f+  
796 CH2Cl+ chloromethyl cation ch2cl+  
797 CH2Cl chloromethyl radical ch2cl  
798 NH2F monofluoroamine nh2f  
799 NH2Cl chloramine nh2cl  
800 H2F2 Hydrogen fluoride dimer h2f2  
801 CH3F+ methyl fluoride cation ch3f+  
802 CD3F methylfluoride-d3 cd3f  
803 CH3F Methyl fluoride ch3f  
804 CD3Cl methyl chloride d3 cd3cl  
805 CH3Cl+ Methyl chloride cation ch3cl+  
806 SiH3F monofluorosilane sih3f  
807 SiH3Cl chlorosilane sih3cl  
808 CH3Br methyl bromide ch3br  
809 GeH3F monofluorogermane geh3f  
810 GeH3Cl monochlorogermane geh3cl  
811 SiH3Br bromosilane sih3br  
812 CH3I methyl iodide ch3i  
813 SiH3I Silyl Iodide sih3i  
814 NH3Cl+ protonated monochloroammonia nh3cl+  
815 CH3ClH+ methyl chloride, protonated ch3clh+  
816 NH4Cl Ammonium chloride nh4cl  
817 LiNe+ Lithium Neon cation line+  
818 Ne2 Neon diatomic ne2  
819 Ne2+ Neon diatomic cation ne2+  
820 Ar2 Argon diatomic ar2  
821 Ar2+ Argon diatomic cation ar2+  
822 Li3 Lithium trimer li3  
823 Li3+ Lithium trimer cation li3+  
824 C3 carbon trimer c3  
825 C3+ carbon trimer cation c3+  
826 SiC2 Silicon dicarbide sic2  
827 C3H3 cyclopropenyl radical cpr  
828 C3H3 Propargyl radical propargyl  
829 C3H3- Propargyl anion c3h3-  
830 C3H3+ cyclopropenyl cation cpr+  
831 C3H3+ Propargyl cation c3h3+  
832 C3H4 cyclopropene cprop  
833 CH2CCH2 allene allene  
834 CH3CCH propyne propyne  
835 C3H5 Allyl radical allyl  
836 C3H5+ Allyl cation allyl+  
837 CH3CHCH 1-propenyl radical ch3chch  
838 Zn(CH3)2 dimethyl zinc dmz  
839 C3H6 Cyclopropane c3h6  
840 CH2CHCH3 Propene propene  
841 C3H7 n-Propyl radical npropyl  
842 C3H7+ cyclopropane, protonated c3h7+  
843 CH3CHCH3 Isopropyl radical isopropyl  
844 CH3CHCH3+ Isopropyl cation prop2yl+  
845 C3H8 Propane propane  
846 SiH2(CH3)2 dimethylsilane dms  
847 LiCN lithium cyanide licn  
848 NaCN Sodium Cyanide nacn  
849 KCN Potassium cyanide kcn  
850 CuCN Copper cyanide cucn  
851 ZnCN Zinc monocyanide zncn  
852 ZnNC Zinc isocyanide znnc  
853 AlCN Aluminum monocyanide alcn  
854 AlNC Aluminum isocyanide alnc  
855 CN2 3H-Diazirin-3-ylidene cn2  
856 CNN Diazocarbene cnn  
857 NCN Cyanoimidogen ncn  
858 N3 azide radical n3  
859 N3- azide anion n3-  
860 N3+ azide cation n3+  
861 HCCN cyanomethylene hccn  
862 HCNN diazomethyl radical hcnn  
863 HN3 hydrogen azide hn3  
864 HN3+ Hydrazoic acid cation hn3+  
865 HNCNH diiminomethane hncnh  
866 CH2N2 diazirine ch2n2  
867 CH2NN diazomethane ch2nn  
868 NH2CN cyanamide cyanamide  
869 HNNNH+ 1,2-Triazadienium n2h3+  
870 NH2NN+ hydrazoic acid, protonated nh2nn+  
871 CH3CN Acetonitrile ch3cn  
872 CH3CN- acetonitrile anion ch3cn-  
873 CH3CN+ Acetonitrile cation ch3cn+  
874 CH3NC methyl isocyanide ch3nc  
875 CHNCH2 2H-Azirine c157164  
876 CHNHCH 1H-Azirine chnhch  
877 H2CCNH Ethenimine ch2cnh  
878 H2CNCH methyleneaminomethylene ch2nch  
879 HCCNH2 Ethynamine hccnh2  
880 HCNCH2+ 2H-Azirine cation hcnch2+  
881 HNCNH2+ diiminomethane, protonated hncnh2+  
882 NCNH3+ Cyanamide, protonated ncnh3+  
883 NH2CNH+ cyanamide, cn protonated nh2cnh+  
884 NH3CN+ cyanamide, amine protonated nh3cn+  
885 CH2CHNH vinylazine ch2chnh  
886 CH3CHN methylmethaniminyl radical ch3chn  
887 NHCHNH2 aminomethanimine cn2h4  
888 C2H5N Aziridine c2h5n  
889 CH2CHNH2 aminoethene aminoethene  
890 CH2NCH3 N-methylmethanimine nmm  
891 CH3CHNH ethanimine ethanimine  
892 NH2BHNH2 diaminoborane nh2bhnh2  
893 C2H5NH+ Protonated Aziridine c2h5nh+  
894 C2H6N+ aziridine, protonated c2h6n+  
895 NH2CH2NH2 diaminomethane nh2ch2nh2  
896 CH3CH2NH2 Ethylamine etam  
897 CH3NHCH3 Dimethylamine ch3nhch3  
898 CH3PHCH3 dimethylphosphine ch3phch3  
899 NH2CH2NH3+ diaminoethane, protonated pdam  
900 (CH3)2NH2+ dimethylammonium cation dmam  
901 CH3CH2NH3+ ethylamine, protonated pea  
902 Li2O dilithium oxide li2o  
903 Li2O+ dilithium oxide cation li2o+  
904 Li2S dilithium sulfide li2s  
905 Na2O disodium monoxide na2o  
906 Na2S Sodium sulfide na2s  
907 LiO2 Lithium dioxide lio2  
908 NaO2 Sodium superoxide nao2  
909 CCO Dicarbon monoxide cco  
910 CNO- fulminate cno-  
911 NCO isocyanato radical nco  
912 NCO- cyanate nco-  
913 SCN thiocyanato radical scn  
914 SCN- thiocyanide anion scn-  
915 BO2 Boron dioxide bo2  
916 BO2- Boron dioxide anion bo2-  
917 BO2+ Boron dioxide cation bo2+  
918 N2O Nitrous oxide n2o  
919 N2O- Nitrous oxide anion n2o-  
920 N2O+ Nitrous oxide cation n2o+  
921 NNS Nitrogen sulfide nns  
922 PPO Phosphorus oxide phosphide ppo  
923 CO2- Carbon dioxide anion co2-  
924 CO2+ Carbon dioxide cation co2+  
925 OCS Carbonyl sulfide cos  
926 OCS+ Carbonyl sulfide cation cos+  
927 SiO2 silicon dioxide sio2  
928 CS2 Carbon disulfide cs2  
929 CS2- Carbon disulfide anion cs2-  
930 CS2+ Carbon disulfide cation cs2+  
931 TiO2 Titanium dioxide tio2  
932 SiS2 Silicon disulfide sis2  
933 GeO2 Germanium dioxide geo2  
934 OCSe Carbonyl selenide ocse  
935 SCSe Carbon sulfide selenide scse  
936 GeS2 Germanium disulfide ges2  
937 CSe2 Carbon diselenide cse2  
938 SCTe Carbon sulfide Telluride scte  
939 NO2 Nitrogen dioxide no2  
940 NO2- Nitrogen dioxide anion no2-  
941 NO2+ Nitrogen dioxide cation no2+  
942 PO2 Phosphorus dioxide po2  
943 PO2- Phosphorus dioxide anion po2-  
944 PO2+ Phosphorus dioxide cation po2+  
945 AsO2 Aresenic dioxide aso2  
946 O3 Ozone o3  
947 O3- Ozone anion o3-  
948 O3+ Ozone cation o3+  
949 SO2 Sulfur dioxide so2  
950 SO2- Sulfur dioxide anion so2-  
951 SO2+ Sulfur dioxide cation so2+  
952 SSO Disulfur monoxide sso  
953 S3 Sulfur trimer s3  
954 S3- Sulfur trimer anion s3-  
955 S3+ Sulfur trimer cation s3+  
956 SeO2 Selenium dioxide seo2  
957 SeO2+ Selenium dioxide cation seo2+  
958 TeO2 Tellurium Dioxide teo2  
959 HCCO ketenyl radical ketenyl  
960 CS2H+ Carbon disulfide, protonated cs2h+  
961 HCNO fulminic acid hcno  
962 HNCO Isocyanic acid hnco  
963 HOCN cyanic acid hocn  
964 HNCS Isothiocyanic acid hncs  
965 HSCN thiocyanic acid hscn  
966 HCO2- formate anion hco2-  
967 HNNO nitrosoazane hnno  
968 HNNO+ Nitrous oxide, N-protonated hnno+  
969 NNOH+ Nitrous Oxide, O-protonated nnoh+  
970 HCOO formate neutral radical hcoo  
971 HOCO Hydrocarboxyl radical hoco  
972 HOCO+ Hydrocarboxyl cation hoco+  
973 HNO2 Nitrous acid hno2  
974 HNO2+ nitrous acid cation hno2+  
975 O3H+ protonated ozone o3h+  
976 SO2H+ protonated sulfur dioxide so2h+  
977 C2H2O Oxirene oxirene  
978 CH2CO Ketene ch2co  
979 CH2CO+ Ketene cation ch2co+  
980 HCCOH ethynol hccoh  
981 CH2CS Thioketene ch2cs  
982 Be(OH)2 Beryllium hydroxide beo2h2  
983 Mg(OH)2 Magnesium dihydroxide h2mgo2  
984 NH2NO Nitrosamide nh2no  
985 CH2O2 Dioxirane diox  
986 H2COO Dioxymethyl radical h2coo  
987 H2COO+ dioxymethyl cation h2coo+  
988 HCOOH Formic acid ch2o2  
989 H2O3 Hydrogen trioxide h2o3  
990 HSSSH trisulfane hsssh  
991 NaOCH3 Sodium methoxide naoch3  
992 CH2BOH hydroxy(methylene)borane ch2boh  
993 CH3BO Borane, methyloxo- ch3bo  
994 CH2CHO Vinyloxy radical ch2cho  
995 CH2COH+ ketene, protonated ch2coh+  
996 CH3CO Acetyl radical ch3co  
997 CH3CO- Acetyl anion ch3co-  
998 CH3CO+ acetyl cation ch3co+  
999 CH2NOH formaldoxime ch2noh  
1000 CH3NO nitrosomethane ch3no  
1001 CHONH2 formamide formamide  
1002 CNOH3 1,2-oxaziridine cnoh3  
1003 HOCHNH hydroxymethylimine hochnh  
1004 CHSNH2 thioformamide chsnh2  
1005 NHCHSH Methanimidothioic acid nhchsh  
1006 CH2OOH CH2OOH radical ch2ooh  
1007 CH3OO methylperoxy radical ch3oo  
1008 CH3OO- methylperoxy anion ch3oo-  
1009 CH3OO+ methylperoxy cation ch3oo+  
1010 C2H4O Ethylene oxide c2h4o  
1011 C2H4O+ ethylene oxide cation c2h4o+  
1012 CH2CHOH ethenol ch2choh  
1013 CH3CHO Acetaldehyde ch3cho  
1014 CH3CHO+ acetaldehyde cation ch3cho+  
1015 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1016 C2H4S Thiirane thiirane  
1017 CH2CHSH Ethenethiol ch2chsh  
1018 CH3CHS Thioacetaldehyde ch3chs  
1019 H2CONH2+ protonated formamide h2conh2+  
1020 NH2CHOH+ Formamide, O-protonated nh2choh+  
1021 NH3CHO+ Formamide, N-Protonated nh3cho+  
1022 CH2(OH)2 methanediol ch2o2h2  
1023 CH3OOH Methyl peroxide ch3ooh  
1024 CH3SSH Hydrogen methyl disulfide ch3ssh  
1025 HSCH2SH Methanedithiol ch4s2  
1026 H2OH2CO water formaldehyde dimer h2oh2co  
1027 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1028 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1029 CH3CH2O Ethoxy radical ethoxy  
1030 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1031 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1032 CH3OCH2 methoxymethyl radical ch3och2  
1033 NH2CH2OH aminomethanol nh2ch2oh  
1034 CH3CH2OH Ethanol etoh  
1035 CH3OCH3 Dimethyl ether meome  
1036 CH3CH2SH ethanethiol etsh  
1037 CH3SCH3 Dimethyl sulfide mesme  
1038 CH3SCH3+ dimethyl sulfide cation mesme+  
1039 CH3SeCH3 dimethylselenide dmse  
1040 CH3OHH2O methanol water dimer ch3ohh2o  
1041 H2OCH3OH water methanol dimer h2och3oh  
1042 CuF2 Copper difluoride cuf2  
1043 ZnF2 Zinc difluoride znf2  
1044 CNF iso cyanogen fluoride cnf  
1045 FCN Cyanogen fluoride fcn  
1046 ClCN chlorocyanogen clcn  
1047 BrCN Cyanogen bromide brcn  
1048 ICN Cyanogen iodide icn  
1049 FBO Boron monofluoride monoxide fbo  
1050 BeF2 Beryllium fluoride bef2  
1051 MgF2 Magnesium fluoride mgf2  
1052 BeCl2 Beryllium chloride becl2  
1053 MgCl2 Magnesium dichloride mgcl2  
1054 CaCl2 Calcium Chloride cacl2  
1055 ZnCl2 Zinc dichloride zncl2  
1056 BeBr2 Beryllium bromide bebr2  
1057 CaBr2 Calcium dibromide cabr2  
1058 CaF2 Calcium difluoride caf2  
1059 FCO Carbonyl fluoride fco  
1060 FCO+ Carbonyl fluoride cation fco+  
1061 ClCO carbonyl monochloride clco  
1062 BF2 Boron difluoride radical bf2  
1063 FNO Nitrosyl fluoride fno  
1064 ClNO Nitrosyl chloride clno  
1065 OPCl Phosphorus oxychloride opcl  
1066 BrNO Nitrosyl bromide brno  
1067 INO Nitrosyl iodide ino  
1068 CF2 Difluoromethylene cf2  
1069 CF2- Difluoromethylene anion cf2-  
1070 CF2+ Difluoromethylene cation cf2+  
1071 CFCl chlorofluoromethylene cfcl  
1072 SiF2 Silicon difluoride sif2  
1073 SiF2+ Silicon difluoride cation sif2+  
1074 CCl2 dichloromethylene ccl2  
1075 CCl2- dichloromethylene anion ccl2-  
1076 CCl2+ dichloromethylene cation ccl2+  
1077 SiCl2 Dichlorosilylene sicl2  
1078 GeF2 Germanium difluoride gef2  
1079 GeCl2 Germanium dichloride gecl2  
1080 CBr2 dibromomethylene cbr2  
1081 FOO Dioxygen monofluoride radical foo  
1082 FOO+ Fluorine dioxide cation foo+  
1083 ClOO chloroperoxy radical cloo  
1084 ClOO+ chloroperoxy cation cloo+  
1085 OClO- Chlorine dioxide anion oclo-  
1086 OClO+ Chlorine dioxide cation oclo+  
1087 ClS2 Sulfur chloride cls2  
1088 BrOO Bromine dioxide broo  
1089 OBrO Bromine dioxide radical obro  
1090 NF2 Difluoroamino radical nf2  
1091 NF2+ Difluoroamino cation nf2+  
1092 PF2 Phosphorus difluoride pf2  
1093 PF2+ Phosphorus difluoride cation pf2+  
1094 F2O Difluorine monoxide f2o  
1095 SF2 sulfur difluoride sf2  
1096 SF2- sulfur difluoride anion sf2-  
1097 SF2+ sulfur difluoride cation sf2+  
1098 Cl2O Dichlorine monoxide cl2o  
1099 SCl2 Sulfur dichloride scl2  
1100 SeF2 Selenium difluoride sef2  
1101 BrOCl Bromine hypochlorite brocl  
1102 SeCl2 Selenium Dichloride secl2  
1103 SBr2 Sulfur dibromide sbr2  
1104 SeBr2 Selenium dibromide sebr2  
1105 BrOBr Bromine oxide brobr  
1106 F3- trifluoride anion f3-  
1107 Cl3- trichloride anion cl3-  
1108 Br3- tribromide anion br3-  
1109 I3- triiodide i3-  
1110 SFCl Sulfur chloride fluoride sfcl  
1111 HCCF Fluoroacetylene hccf  
1112 HCCF+ fluoroacetylene cation hccf+  
1113 HCCCl Chloroacetylene hcccl  
1114 HCCBr bromoacetylene hccbr  
1115 HFCO formyl fluoride hfco  
1116 HFCO+ formyl fluoride cation hfco+  
1117 COHCl Formyl chloride cohcl  
1118 COHBr Formyl bromide cohbr  
1119 BHF2 Difluoroborane bhf2  
1120 BHCl2 Borane, dichloro- bhcl2  
1121 CHCl2 dichloromethyl radical chcl2  
1122 CHF2 difluoromethyl radical chf2  
1123 CHF2+ difluoromethyl cation chf2+  
1124 CHFCl Chlorofluoromethyl radical chfcl  
1125 CHFCl+ Chlorofluoromethyl cation chfcl+  
1126 CHCl2+ dichloromethyl cation chcl2+  
1127 CHBr2 dibromomethyl radical chbr2  
1128 HOClO Chlorous acid hoclo  
1129 NHF2 difluoramine nhf2  
1130 NHCl2 dichloroamine nhcl2  
1131 CH2F2 Methane, difluoro- ch2f2  
1132 CH2FCl fluorochloromethane ch2fcl  
1133 SiH2F2 difluorosilane sih2f2  
1134 CH2Cl2 Methylene chloride ch2cl2  
1135 CH2BrF Methane, bromofluoro- ch2fbr  
1136 CH2BrCl Methane, bromochloro- ch2clbr  
1137 CH2FI fluoroiodomethane ch2fi  
1138 CH2Br2 dibromomethane ch2br2  
1139 CH2ClI chloroiodomethane ch2cli  
1140 CH2BrI bromoiodomethane ch2bri  
1141 CH2I2 Diiodomethane ch2i2  
1142 SiH2Cl2 dichlorosilane sih2cl2  
1143 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1144 CH2CHF Ethene, fluoro- ch2chf  
1145 CH2CHF+ fluoroethene cation ch2chf+  
1146 C2H3Cl Ethene, chloro- ch2chcl  
1147 C2H3Br vinyl bromide c2h3br  
1148 C2H3I Vinyl iodide c2h3i  
1149 CH2FOH fluoromethanol ch2foh  
1150 CH3OCl methyl hypochlorite ch3ocl  
1151 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1152 CHClCH3 1-chloroethyl radical chclch3  
1153 C2H5F fluoroethane c2h5f  
1154 CH3CH2Cl Ethyl chloride c2h5cl  
1155 CH3SiFH2 fluoromethylsilane ch3sifh2  
1156 C2H5Br Ethyl bromide etbr  
1157 C2H5I Ethyl iodide c2h5i  
1158 KrF2 Krypton difluoride krf2  
1159 XeF2 Xenon difluoride xef2  
1160 B4H10 Tetraborane(10) b4h10  
1161 C4 Carbon tetramer c4  
1162 C4+ Carbon tetramer cation c4+  
1163 C4H2 Diacetylene c4h2  
1164 C4H2+ diacetlyene cation c4h2+  
1165 C2H3CCH 1-Buten-3-yne c2h3cch  
1166 C4H4 cyclobutadiene cbd  
1167 C4H4 Tetrahedrane c4h4  
1168 H2CCCCH2 Butatriene h2cccch2  
1169 C4H6 1-Methylcyclopropene c3100047  
1170 C4H6 Cyclobutene c822355  
1171 C4H6 Methylenecyclopropane c6142730  
1172 CH2CCHCH3 1,2-Butadiene butad12  
1173 CH2CHCHCH2 1,3-Butadiene c106990  
1174 CH3CCCH3 2-Butyne c503173  
1175 CHCCH2CH3 1-Butyne c107006  
1176 CH3CHCHCH2 methylallyl radical c4h7  
1177 C4H8 methylcyclopropane mcp  
1178 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1179 CH2CHCH2CH3 1-Butene bute1  
1180 CH3CHCHCH3 2-Butene, (E)- bute2e  
1181 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1182 B(CH3)3 trimethylborane bme3  
1183 Al(CH3)3 trimethyl aluminum tma  
1184 C(CH3)3 Tert-butyl radical tbutyl  
1185 CH2CH(CH3)2 Isobutyl radical isobutyl  
1186 CH3CHCH2CH3 2-Butyl radical butyl2  
1187 CH3CH(CH3)CH3 Isobutane isobutane  
1188 CH3CH2CH2CH3 Butane butane  
1189 SiH(CH3)3 trimethylsilane trimsi  
1190 Li3N trilithium nitride li3n  
1191 C2N2 Cyanogen c2n2  
1192 C2N2+ Cyanogen cation c2n2+  
1193 P4 Phosphorus tetramer p4  
1194 As4 Arsenic tetramer as4  
1195 HCCCN Cyanoacetylene hcccn  
1196 HCCCN+ Cyanoacetylene cation hcccn+  
1197 H2CNCN cyanamide, methylene ch2ncn  
1198 HNCCNH Ethenediimine hnccnh  
1199 C3H3N acrylonitrile ch2chcn  
1200 C3H3N+ acrylonitrile cation ch2chcn+  
1201 CH3N3 methyl azide ch3n3  
1202 NH2CCNH2 Diaminoacetylene daa  
1203 NH2CH2CN Aminoacetonitrile aan  
1204 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1205 C2H5CN ethyl cyanide c2h5cn  
1206 CH5N3 Guanidine guanidine  
1207 C4H6 Bicyclo[1.1.0]butane c157335  
1208 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1209 H2NCHCHNH2 diaminoethylene dae  
1210 CH6N3+ guanidinium ch6n3+  
1211 C3H7N Cyclopropylamine cpram  
1212 CH7N3 triaminomethane tam  
1213 C3H7N Azetidine azet  
1214 C4H8 cyclobutane cbutane  
1215 C2H8N2 Ethylenediamine ethdiam  
1216 CH3NHNHCH3 dimethyl hydrazine dmh  
1217 CH3CH(NH2)CH3 2-Propanamine pram2  
1218 N(CH3)3 Trimethylamine trimeam  
1219 NH2CH2CH2CH3 1-Propanamine pram1  
1220 P(CH3)3 trimethylphosphine tmp  
1221 N(SiH3)3 trisilylamine tsa  
1222 As(CH3)3 trimethyl arsine tmas  
1223 (CH3)3NH+ protonated trimethyl amine ptma  
1224 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1225 Li2O2 dilithium dioxide li2o2  
1226 Na2O2 disodium dioxide na2o2  
1227 K2O2 dipotassium dioxide k2o2  
1228 C3O Tricarbon monoxide c3o  
1229 B2O2 Diboron dioxide b2o2  
1230 ONNO NO dimer onno  
1231 CO3 Carbon trioxide co3  
1232 CO3-- carbonate co3--  
1233 CS3-- Carbonotrithioate cs3--  
1234 NO3 Nitrogen trioxide no3  
1235 NO3- nitrate anion no3-  
1236 NO3+ nitrogen trioxide cation no3+  
1237 SO3 Sulfur trioxide so3  
1238 SO3- Sulfur trioxide anion so3-  
1239 SO3-- Sulfate dianion so3--  
1240 SO3+ Sulfur trioxide cation so3+  
1241 SeO3 selenium trioxide seo3  
1242 S4 Sulfur tetramer s4  
1243 TeO3 Tellurium trioxide teo3  
1244 HCO3- bicarbonate anion hco3-  
1245 HNO3 Nitric acid hno3  
1246 HSO3 Hydroxysulfonyl radical hso3  
1247 NH2NO2 nitramide nh2no2  
1248 C2H2CO cyclopropenone c2h2co  
1249 C3H2O Propadienal c3h2o  
1250 HCCCHO 2-propynal hcccho  
1251 C2H2O2 Ethanedial c2h2o2  
1252 C2H2O2+ Ethanedial cation c2h2o2+  
1253 H2CO3 Carbonic acid h2co3  
1254 H2CS3 thiocarbonic acid h2cs3  
1255 H2NO3+ Nitric Acid, Protonated h2no3+  
1256 H2SO3 Sulfurous acid h2so3  
1257 C2H3NO Nitrosoethylene c2h3no  
1258 CH3NCO methylisocyante ch3nco  
1259 HOCH2CN cyanomethanol hoch2cn  
1260 CH3COO- acetate anion ch3coo-  
1261 CH3NO2 Methane, nitro- ch3no2  
1262 CH3ONO Methyl nitrite ch3ono  
1263 NH2COOH Carbamic acid nh2cooh  
1264 H3BO3 Boric acid h3bo3  
1265 H3AlO3 Aluminum hydroxide h3alo3  
1266 H3CO3+ carbonic acid, protonated h3co3+  
1267 C3H4O 2-Propyn-1-ol c107197  
1268 C3H4O allenol c9000071  
1269 C3H4O Cyclopropanone cpone  
1270 C3H4O Methylketene c6004440  
1271 CH2CHCHO Acrolein c3h4o  
1272 NH2CONH2 Urea urea  
1273 NH2CONH2+ Urea cation urea+  
1274 NH2CSNH2 Thiourea thiourea  
1275 C2H4O2 1,3-dioxetane c2h4o2  
1276 CH3COOH Acetic acid ch3cooh  
1277 CH3OCHO methyl formate ch3ocho  
1278 CHOCH2OH hydroxy acetaldehyde haa  
1279 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1280 NH3COOH+ protonated Carbamic acid nh3cooh+  
1281 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1282 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1283 HCOOHH2O Formic acid water dimer hcoohh2o  
1284 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1285 CH3COCH2 Acetonyl radical ch3coch2  
1286 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1287 CH3C(OH)=NH Ethaninidic acid eia  
1288 CH3CHNOH Acetaldoxime acetaldoxime  
1289 CH3CONH2 Acetamide acetamide  
1290 HCONHCH3 N-methylformamide nmfa  
1291 CH3CSNH2 Ethanethioamide ch3csnh2  
1292 CH5N2O+ urea, N-protonated ch4n2o+  
1293 H2NCOHNH2+ urea, protonated ureah+  
1294 C2H5OO ethylperoxy radical c2h5oo  
1295 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1296 C3H5OH Cyclopropanol cproh  
1297 C3H6O 2-Propen-1-ol c107186  
1298 C3H6O Acetone enol enol  
1299 C3H6O Oxetane oxetane  
1300 C3H6O Propylene oxide prox  
1301 CH3CH2CHO Propanal propanal  
1302 CH3COCH3 Acetone acetone  
1303 CH3COCH3- acetone anion ch3coch3-  
1304 C3H6S Thietane thietane  
1305 C3H6S Thiirane, methyl- methiirane  
1306 CH3CSCH3 Thioacetone ch3csch3  
1307 C2H6O2 1,2-Ethanediol ethdiol  
1308 CH3OOCH3 dimethylperoxide dmp  
1309 CH3SOCH3 Dimethyl sulfoxide dmso  
1310 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1311 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1312 CH3COHCH3+ acetone, protonated acetoneh+  
1313 HOCH2CH2NH2 monoethanolamine mea  
1314 C3H7OH 1-Propanol proh  
1315 CH3CHOHCH3 Isopropyl alcohol isoproh  
1316 CH3OC2H5 Ethane, methoxy- etome  
1317 C3H7SH 1-Propanethiol prsh  
1318 CH3CHSHCH3 2-Propanethiol isoprsh  
1319 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1320 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1321 Li2F2 Lithium fluoride dimer li2f2  
1322 Na2F2 Sodium Fluoride Dimer na2f2  
1323 Na2Cl2 Disodium dichloride na2cl2  
1324 C2F2 difluoroacetylene c2f2  
1325 C2Cl2 dichloroacetylene c2cl2  
1326 C2Cl2+ dichloroacetylene cation c2cl2+  
1327 FNO2 Nitryl fluoride fno2  
1328 FONO Nitrosyl hypofluorite fono  
1329 ClNO2 Nitryl chloride clno2  
1330 ClONO chlorine nitrite clono  
1331 BrONO Bromine nitrite brono  
1332 N2F2 (Z)-Difluorodiazene n2f2_z  
1333 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1334 CF2O Carbonic difluoride f2co  
1335 CF2O+ Carbonic difluoride cation f2co+  
1336 COFCl Carbonic chloride fluoride cofcl  
1337 CCl2O Phosgene cl2co  
1338 Cl2CS Thiophosgene cl2cs  
1339 COBr2 Carbonic dibromide cobr2  
1340 BF3- Borane, trifluoro- anion bf3-  
1341 BF3+ boron trifluoride cation bf3+  
1342 BClF2 Chlorodifluoroborane bclf2  
1343 AlF2Cl Aluminum chloride difluoride alclf2  
1344 ScF3 Scandium trifluoride ScF3  
1345 AlFCl2 Aluminum dichloride fluoride alcl2f  
1346 BCl3 Borane, trichloro- bcl3  
1347 BCl3+ Boron Trichloride cation bcl3+  
1348 GaF3 Gallium trifluoride gaf3  
1349 AlCl3 Aluminum trichloride alcl3  
1350 GaCl3 Gallium trichloride gacl3  
1351 BBr3 Boron tribromide bbr3  
1352 AlBr3 Aluminum Bromide albr3  
1353 ClO3 Chlorine trioxide clo3  
1354 ClO3- chlorate anion clo3-  
1355 BrO3- Bromate anion bro3-  
1356 CF3 Trifluoromethyl radical cf3  
1357 CF3- Trifluoromethyl anion cf3-  
1358 CF3+ Trifluoromethyl cation cf3+  
1359 CF2Cl difluorochloromethyl radical cf2cl  
1360 SiF3 Silicon trifluoride radical sif3  
1361 SiF3+ Silicon trifluoride cation sif3+  
1362 CFCl2 dichlorofluoromethyl radical cfcl2  
1363 CCl3 Trichloromethyl radical ccl3  
1364 CCl3- Trichloromethyl anion ccl3-  
1365 CCl3+ Trichloromethyl cation ccl3+  
1366 SiCl3 trichlorosilyl radical sicl3  
1367 SiCl3+ trichlorosilyl cation sicl3+  
1368 CBr3 tribromomethyl radical cbr3  
1369 FOOF Perfluoroperoxide foof  
1370 F2SO Thionyl Fluoride f2so  
1371 ClOOCl Dichlorine dioxide cloocl  
1372 FSSF Difluorodisulfane fssf  
1373 S2F2 Thio-thionyl fluoride s2f2  
1374 SOCl2 thionyl chloride socl2  
1375 SSCl2 Thiothionyl chloride sscl2  
1376 SeOCl2 selenium oxychloride seocl2  
1377 NF3 Nitrogen trifluoride nf3  
1378 NF3- Nitrogen trifluoride anion nf3-  
1379 NF3+ Nitrogen trifluoride cation nf3+  
1380 PF3 Phosphorus trifluoride pf3  
1381 NCl3 nitrogen trichloride ncl3  
1382 AsF3 Arsenic trifluoride asf3  
1383 PCl3 Phosphorus trichloride pcl3  
1384 SbF3 Antimony Trifluoride sbf3  
1385 AsCl3 Arsenous trichloride ascl3  
1386 SbCl3 Antimony Trichloride sbcl3  
1387 NBr3 Nitrogen Tribromide nbr3  
1388 PBr3 Phosphorus tribromide pbr3  
1389 AsBr3 Arsenic tribromide asbr3  
1390 NI3 Nitrogen triiodide ni3  
1391 PI3 Phosphorus triiodide pi3  
1392 ClSSCl Disulfur dichloride s2cl2  
1393 SF3 Sulfur trifluoride sf3  
1394 ClF3 Chlorine trifluoride clf3  
1395 BrF3 Bromine trifluoride brf3  
1396 IF3 iodone trifluoride if3  
1397 HClO3 Chloric Acid hclo3  
1398 CHF3 Methane, trifluoro- chf3  
1399 CHF2Cl difluorochloromethane chf2cl  
1400 SiHF3 trifluorosilane sihf3  
1401 CHFCl2 fluorodichloromethane chfcl2  
1402 CDCl3 trichloromethane-d cdcl3  
1403 CHCl3 Chloroform chcl3  
1404 CHBrF2 Methane, bromodifluoro- chbrf2  
1405 SiHCl3 Trichlorosilane sihcl3  
1406 CHFClBr fluorochlorobromomethane chfclbr  
1407 CHBrCl2 Methane, bromodichloro- chbrcl2  
1408 CHF2I difluoroiodomethane chf2i  
1409 CHBr2F dibromofluoromethane chbr2f  
1410 CHFClI fluorochloroiodomethane chfcli  
1411 CHCl2I dichloroiodomethane chcl2i  
1412 CHClBr2 Methane, dibromochloro- chclbr2  
1413 CHBr3 bromoform chbr3  
1414 CHI3 Iodoform chi3  
1415 NF3H+ protonated nitrogen trifluoride nf3h+  
1416 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1417 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1418 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1419 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1420 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1421 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1422 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1423 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1424 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1425 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1426 C2H2Br2 1,1-dibromoethene c2h2br2  
1427 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1428 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1429 CH2FCHO Fluoroacetaldehyde ch2fcho  
1430 CH3COF Acetyl fluoride ch3cof  
1431 CH2ClCHO chloroacetaldehyde ch2clcho  
1432 CH3COCl Acetyl Chloride ch3cocl  
1433 C2H4F2 1,2-difluoroethane c2h4f2  
1434 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1435 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1436 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1437 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1438 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1439 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1440 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1441 CH2CFCH3 2-fluoropropene 2fpro  
1442 CH2CHCH2F Allyl Fluoride allylf  
1443 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1444 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1445 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1446 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1447 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1448 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1449 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1450 CH2FCH2CH3 1-Fluoropropane prf1  
1451 CH3CHFCH3 2-Fluoropropane prf2  
1452 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1453 CH3CHClCH3 Propane, 2-chloro- prcl2  
1454 CH3CH2CH2Br n-propyl bromide prbr  
1455 CH3CHBrCH3 i-propyl bromide iprbr  
1456 C3H9O+ trimethyl oxonium cation c3h9o+  
1457 B5H9 pentaborane9 b5h9  
1458 C5H4 pentatetraene ptrene  
1459 C5H5 cyclopentadienyl radical c5h5  
1460 C5H5- cylopentadienyl anion c5h5-  
1461 C5H6 1,3-Cyclopentadiene c542927  
1462 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1463 C5H6 3-Penten-1-yne, (E)- c2004695  
1464 C5H6 3-Penten-1-yne, (Z)- c1574409  
1465 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1466 C5H6 Cyclopropylacetylene c6746947  
1467 C5H6 Propellane propellane  
1468 C5H7 1,3-pentadienyl radical pdyl  
1469 C5H7 cyclopentenyl radical cpyl  
1470 C5H8 1,2-Butadiene, 3-methyl- c598254  
1471 C5H8 1,2-Pentadiene c591957  
1472 C5H8 1,3-Butadiene, 2-methyl- c78795  
1473 C5H8 1,3-Pentadiene, (E)- c2004708  
1474 C5H8 1,3-Pentadiene, (Z)- c1574410  
1475 C5H8 1,4-Pentadiene c591935  
1476 C5H8 1-pentyne a1pentyne  
1477 C5H8 2,3-Pentadiene c591968  
1478 C5H8 Bicyclo[1.1.1]pentane bcp  
1479 C5H8 Cyclobutane, methylene- c1120565  
1480 C5H8 Cyclopentene c142290  
1481 C5H8 Ethenylcyclopropane c693867  
1482 CH3CCCH2CH3 2-Pentyne 2pentyne  
1483 C5H10 1-Butene, 2-methyl- c563462  
1484 C5H10 2-Butene, 2-methyl- c513359  
1485 C5H10 2-Pentene, (E)- c646048  
1486 C5H10 2-Pentene, (Z)- c627203  
1487 C5H10 Cyclopentane c287923  
1488 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1489 CH2CHCH2CH2CH3 1-pentene pentene  
1490 C5H11 2-Methylbut-2-yl radical c4348350  
1491 C5H12 Butane, 2-methyl- buta2  
1492 C5H12 Pentane pentane  
1493 C5H12 Propane, 2,2-dimethyl- neopentane  
1494 Si(CH3)4 tetramethylsilane tms  
1495 N2O3 Dinitrogen trioxide n2o3  
1496 C3H2N2 Malononitrile c3h2n2  
1497 CH2N4 1H-Tetrazole 1htz  
1498 C3H3N2 imidazolyl radical im  
1499 C3H3N2- imidizolyl anion im-  
1500 C2H3N3 1H-1,2,4-Triazole c288880  
1501 C4H4N pyrrolide radical c4h4n  
1502 C4H4N- pyrrolide anion c4h4n-  
1503 C3H4N2 1H-Imidazole 1himidaz  
1504 C3H4N2 1H-Pyrazole 1hpyraz  
1505 C3H4N2 2H-Imidazole imid2h  
1506 C3H4N2 4H-Imidazole imid4h  
1507 C4H5N (E)-2-Butenenitrile c627269  
1508 C4H5N (Z)-2-Butenenitrile c1190767  
1509 C4H5N 2H-pyrrole pyrrole2  
1510 C4H5N 3H-pyrrole pyrrole3  
1511 C4H5N Cyclopropanecarbonitrile c5500210  
1512 C4H5N Pyrrole pyrrole  
1513 CH2CHCH2CN Allylcyanide ch2chch2cn  
1514 C4H6N+ pyrrole, alpha-protonated appyr  
1515 C4H6N+ pyrrole, beta-protonated bppyr  
1516 C4H6N+ pyrrole, protonated ppyr  
1517 C3H6N2 3-Aminopropionitrile c151188  
1518 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1519 CH3CH2CH2CN Butanenitrile c109740  
1520 C5H8 Bicyclo[2.1.0]pentane c185944  
1521 C5H8 Spiropentane c157404  
1522 C4H9N Cyclobutylamine cbam  
1523 C4H9N Pyrrolidine pyrrolidine  
1524 C3H10N2 1,2-Diaminopropane diampr12  
1525 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1526 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1527 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1528 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1529 NH(C2H5)2 diethylamine dea  
1530 NC4H12+ tetramethyl ammonium cation nc4h12+  
1531 C3O2 Carbon suboxide c3o2  
1532 C3O2+ Carbon suboxide cation c3o2+  
1533 B2O3 diboron trioxide b2o3  
1534 MgCO3 Magnesium Carbonate mgco3  
1535 BeCO3 Beryllium Carbonate beco3  
1536 CaCO3 Calcium Carbonate caco3  
1537 ONONO Nitrosyl nitrite onono  
1538 PO4--- phosphate po4---  
1539 SO4-- sulfate so4--  
1540 HOONO2 peroxy nitric acid hoono2  
1541 HSO4- bisulfate anion hso4-  
1542 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1543 C3H2O2 Propiolic acid c3h2o2  
1544 CHOCOOH oxo acetic acid oaa  
1545 CHOOCHO diformyl ether choocho  
1546 H2SO4 Sulfuric acid h2so4  
1547 H2SeO4 Selenic acid h2seo4  
1548 C3H3NO Isoxazole isox  
1549 C3H3NO Oxazole oxazole  
1550 C3H3NS Thiazole thiazole  
1551 CH3C(O)OO acetyl peroxy radical ch3coo2  
1552 CH3NO3 Methyl nitrate ch3no3  
1553 H3PO4 Phosphoric Acid h3po4  
1554 C4H4O Furan furan  
1555 C4H4O+ Furan cation furan+  
1556 CH3COCCH 3-butyn-2-one c1423605  
1557 C4H4S Thiophene furans  
1558 C4H4Se selenophene c4h4se  
1559 C3H4O2 β–Propiolactone beta  
1560 C3H4O2 2-Propenoic acid propenoic2  
1561 C3H4O2 Methyl glyoxal megly  
1562 C3H4O2 propanedial propanedial  
1563 C3H4O2 propenalol propenalol  
1564 HOCHCCHOH allenediol aldiol  
1565 C2H4O3 1,2,3-trioxolane c2h4o3  
1566 C2H4O3 trioxolane124 triox  
1567 HOCH2COOH Hydroxyacetic acid hac  
1568 CH2CHCONH2 Acrylamide c79061  
1569 CH3OCH2CN Methoxyacetonitrile c1738369  
1570 CH5N3S Hydrazinecarbothioamide c79196  
1571 H2NCH2COOH Glycine glycine  
1572 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1573 C4H6O cis-2-butenal butenal2c  
1574 C4H6O Cyclobutanone cbutone  
1575 C4H6O Furan, 2,3-dihydro- furan23h  
1576 C4H6O Furan, 2,5-dihydro- furan25h  
1577 CH2CHOCHCH2 Vinyl ether vinylether  
1578 CHOCHCHCH3 2-Butenal butenal2  
1579 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1580 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1581 CH2CHSCHCH2 Divinyl sulfide divis  
1582 C2H6N2O Urea, methyl- c598505  
1583 C3H6O2 1,3-Dioxolane dioxolane  
1584 CH3CH2COOH Propanoic Acid propanoic  
1585 CH3COOCH3 methyl acetate aame  
1586 HCOOC2H5 Ethyl formate faee  
1587 C2H6O2S Dimethyl sulfone c67710  
1588 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1589 C3H7NO dimethylformamide dmf  
1590 C3H7NO Propanamide propanam  
1591 C2H3OC2H5 Ethene, ethoxy- c109922  
1592 C4H8O Cyclobutanol c2919235  
1593 C4H8O Furan, tetrahydro- thf  
1594 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1595 CH3COCH2CH3 2-Butanone buta2one  
1596 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1597 CHOCH2CH2CH3 Butanal butanal  
1598 C4H8S Thiophene, tetrahydro- tht  
1599 C3H8O2 1,3-Propanediol c504632  
1600 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1601 C3H8O2 Methane, dimethoxy- c109875  
1602 C3H8O2 Propylene glycol c57556  
1603 C3H8S2 1,3-Propanedithiol c109808  
1604 C4H10O 1-Butanol butanol1  
1605 C4H10O 1-Propanol, 2-methyl- c78831  
1606 C4H10O 2-Butanol, (.+/-.)- butanol2  
1607 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1608 C4H10O Ethoxy ethane etoet  
1609 C4H10O Methyl propyl ether meopr  
1610 C4H10O Propane, 2-methoxy- c598538  
1611 C4H10O+ 1-Butanol cation butanol1+  
1612 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1613 C2H5SC2H5 Diethyl sulfide etset  
1614 C4H9SH 1-Butanethiol bush  
1615 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1616 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1617 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1618 FNO3 Fluorine nitrate fno3  
1619 ClONO2 Chlorine nitrate clono2  
1620 BrONO2 Bromine nitrate brono2  
1621 TiCl4 Titanium tetrachloride ticl4  
1622 ClO4- perchlorate anion clo4-  
1623 BF4- tetrafluoroboron anion bf4-  
1624 ClFO3 Perchloryl fluoride clfo3  
1625 SO2F2 Sulfuryl fluoride so2f2  
1626 SO2Cl2 Sulfuryl chloride so2cl2  
1627 F3NO Nitrogen trifluoride oxide f3no  
1628 F3PO Phosphoryl fluoride pf3o  
1629 Cl3PO Phosphoryl chloride pcl3o  
1630 CF4 Carbon tetrafluoride cf4  
1631 CF3Cl Methane, chlorotrifluoro- cf3cl  
1632 SiF4 Silicon tetrafluoride sif4  
1633 CF2Cl2 difluorodichloromethane cf2cl2  
1634 TiF4 Titanium tetrafluoride tif4  
1635 CFCl3 Trichloromonofluoromethane cfcl3  
1636 CF3Br Bromotrifluoromethane cf3br  
1637 GeF4 Germanium tetrafluoride gef4  
1638 CCl4 Carbon tetrachloride ccl4  
1639 CCl4+ Carbon tetrachloride cation ccl4+  
1640 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1641 SiCl4 Silane, tetrachloro- sicl4  
1642 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1643 CF3I trifluoroiodomethane cf3i  
1644 CBrCl3 Methane, bromotrichloro- cbrcl3  
1645 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1646 GeCl4 Germanium Tetrachloride gecl4  
1647 CBr2ClF dibromochlorofluoromethane cbr2clf  
1648 CBr2Cl2 dibromodichloromethane cbr2cl2  
1649 CCl3I trichloroiodomethane ccl3i  
1650 CFBr3 fluorotribromomethane cfbr3  
1651 CFClBrI fluorochlorobromoiodomethane cfclbri  
1652 CBr3Cl tribromochloromethane cbr3cl  
1653 CF2I2 difluorodiiodomethane cf2i2  
1654 CBr4 Carbon tetrabromide cbr4  
1655 CCl2I2 dichlorodiiodomethane ccl2i2  
1656 SiBr4 Silicon tetrabromide sibr4  
1657 CBr3I tribromoiododmethane cbr3i  
1658 GeBr4 Germanium tetrabromide gebr4  
1659 CI4 tetraiodomethane ci4  
1660 SiI4 silicon tetraiodide sii4  
1661 ClOF3 Chlorine trifluoride oxide clof3  
1662 SF4 Sulfur tetrafluoride sf4  
1663 SeF4 Selenium tetrafluoride sef4  
1664 SCl4 Sulfur tetrachloride scl4  
1665 C2HF3 Trifluoroethylene c2hf3  
1666 C2HF3+ Trifluoroethylene cation c2hf3+  
1667 CHClCCl2 Trichloroethylene chclccl2  
1668 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1669 HClO4 perchloric acid hclo4  
1670 HSO3F Fluorosulfonic acid hso3f  
1671 CF3OH trifluoromethanol cf3oh  
1672 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1673 CHClCCHCl 1,3-dichloroallene chclcchcl  
1674 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1675 CHCl2CHO dichloroacetaldehyde chcl2cho  
1676 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1677 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1678 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1679 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1680 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1681 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1682 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1683 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1684 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1685 NH3BCl3 Amminetrichloroboron nh3bcl3  
1686 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1687 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1688 C3H5ClO Oxirane, (chloromethyl)- c106898  
1689 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1690 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1691 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1692 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1693 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1694 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1695 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1696 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1697 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1698 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1699 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1700 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1701 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1702 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1703 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1704 C4H9F 1-fluorobutane butaf1  
1705 CH3CHFCH2CH3 2-fluorobutane butaf2  
1706 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1707 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1708 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1709 XeF4 Xenon tetrafluoride xef4  
1710 C2H2N2O Furazan furazan  
1711 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1712 NH3BF3 Amminetrifluoroboron nh3bf3  
1713 C6H2 hexatriyne c6h2  
1714 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1715 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1716 C6H4 Benzyne benzyne  
1717 C6H5 phenyl phenyl  
1718 C6H5- phenyl anion phenyl-  
1719 C6H6 Prismane prismane  
1720 C6H6 1,2,4,5-Hexatetraene ht1245  
1721 C6H6 2,4-Hexadiyne hexadiyne  
1722 C6H6 3,4-Dimethylenecyclobutene cb34m  
1723 C6H6 Benzene benzene  
1724 C6H6 Benzvalene bv  
1725 C6H6 Dewar Benzene dewar  
1726 C6H6 Hexa-1,5-diene-3-yne hdy153  
1727 C6H6 Trimethylenecycopropane tmcp  
1728 C6H6+ Benzene cation c6h6+  
1729 C6H7+ benzene, protonated c6h7+  
1730 C6H8 (E)-hexa-1,3,5-triene c821078  
1731 C6H8 (E)-hexa-2,3,4-triene c59660650  
1732 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1733 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1734 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1735 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1736 C6H8 3-Methylenecyclopentene c930267  
1737 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1738 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1739 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1740 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1741 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1742 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1743 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1744 C6H10 1,5-Hexadiene c592427  
1745 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1746 C6H10 1-Hexyne hexyne1  
1747 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1748 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1749 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1750 C6H10 2-Hexyne c764352  
1751 C6H10 3-Hexyne hexyne3  
1752 C6H10 cyclohexene cyclohexene  
1753 C6H10 Cyclopentene, 1-methyl- c693890  
1754 C6H10 Cyclopentene, 3-methyl- c1120623  
1755 C6H10 Cyclopentene, 4-methyl- c1759815  
1756 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1757 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1758 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1759 C6H12 (E)-2-Hexene e2hexene  
1760 C6H12 (E)-3-methylpent-2-ene c616126  
1761 C6H12 (E)-hex-3-ene e3hexene  
1762 C6H12 (Z)-3-methylpent-2-ene c922623  
1763 C6H12 (Z)-hex-2-ene z2hexene  
1764 C6H12 (Z)-hex-3-ene z3hexene  
1765 C6H12 2,3-dimethylbut-1-ene c563780  
1766 C6H12 2,3-dimethyl-but-2-ene tmeet  
1767 C6H12 3-methylenepentane c760214  
1768 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1769 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1770 C6H12 Cyclohexane cyclohexane  
1771 C6H12 Cyclopentane, methyl- c96377  
1772 C6H12 Ethylcyclobutane c4806615  
1773 C6H12 hex-1-ene hexene1  
1774 C6H14 Butane, 2,2-dimethyl- buta22  
1775 C6H14 Butane, 2,3-dimethyl- buta23  
1776 C6H14 Hexane hexane  
1777 C6H14 Pentane, 2-methyl- penta2  
1778 C6H14 Pentane, 3-methyl- penta3  
1779 C4N2 2-Butynedinitrile c4n2  
1780 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1781 C4H2N2 Fumaronitrile c4h2n2  
1782 C2H2N4 sym-tetrazine ttz  
1783 C3H3N3 1,3,5-Triazine triazine135  
1784 CH3N5 5-Aminotetrazole c4418615  
1785 C4H4N2 1,3-Diazine diazine13  
1786 C4H4N2 Pyrazine pyrazine  
1787 C4H4N2 Pyridazine pyridazine  
1788 C4H4N2 Succinonitrile c110612  
1789 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1790 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1791 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1792 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1793 C5H5N E-2,4-pentadienenitrile bdcn  
1794 C5H5N Pyridine pyridine  
1795 B3N3H6 borazine borazine  
1796 C6H6 Fulvene fulvene  
1797 C5H6N+ Pyridinium c5h6n  
1798 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1799 C5H7N (E)-2-Pentenenitrile c26294984  
1800 C5H7N (E)-3-Pentenenitrile c16529661  
1801 C5H7N (Z)-2-Pentenenitrile c25899507  
1802 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1803 C5H7N Cyclobutanecarbonitrile c4426113  
1804 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1805 C5H9N Butanenitrile, 2-methyl- c18936179  
1806 C5H9N Pentanenitrile c110598  
1807 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1808 C6H10 Bicyclo[3.1.0]hexane c285585  
1809 C5H11N Cyclopentanamine cypentam  
1810 C5H11N Piperidine piper  
1811 C4H12N2 1,2-Butanediamine c4426486  
1812 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1813 Li2CO3 Lithium Carbonate li2co3  
1814 Na2CO3 Sodium Carbonate na2co3  
1815 C2O4-- oxalate anion c2o4  
1816 MgSO4 Magnesium Sulfate mgso4  
1817 N2O4 Dinitrogen tetroxide n2o4  
1818 C3H2O3 vinylene carbonate vica  
1819 C2H2O4 Oxalic Acid oxalic  
1820 C2H3NO3 Oxamic acid oxamic  
1821 C4H4O2 2(5H)-Furanone furanone  
1822 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1823 C2H4N2O2 Oxalamide oxalamide  
1824 C2H4N2S2 Ethanedithioamide c79403  
1825 C2H4CO3 Ethylene carbonate etco3  
1826 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1827 C3H4S3 1,3-Dithiolane-2-thione c822388  
1828 C2H4O4 Formic acid dimer fadimer  
1829 C4H5NO 3-Methylisoxazole isox3m  
1830 C4H5NO Isoxazole, 5-methyl- c5765446  
1831 C4H5NS 4-Methylthiazole c693958  
1832 C2H5NO3 Nitric acid, ethyl ester c625581  
1833 C5H6O 2H-Pyran pyran2  
1834 C5H6O 2-methylfuran furan2m  
1835 C5H6O 3-Methylfuran furan3m  
1836 C5H6O Pentadienal pdal  
1837 C5H6S Thiophene, 2-methyl- c554143  
1838 C5H6S Thiophene, 3-methyl- c616444  
1839 C4H6O2 γ–Butyrolactone c96480  
1840 C4H6O2 2,3-Butanedione c431038  
1841 C4H6O2 2-Propenoic acid, methyl ester c96333  
1842 C4H6O2 Crotonic Acid crot  
1843 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1844 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1845 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1846 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1847 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1848 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1849 C4H6OS Vinyl sulfoxide c1115157  
1850 CH6N4S Carbonothioic dihydrazide thiacarb  
1851 C2H6N2O2 (E)-Azodioxymethane c37765154  
1852 C2H6N2O2 Dimethylnitroamine c4164287  
1853 C3H6O3 1,3,5-Trioxane trioxane  
1854 C3H6S3 1,3,5-Trithiane c3h6s3  
1855 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1856 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1857 C4H7NO 2-Pyrrolidinone c616455  
1858 C4H7NO Ethoxyacetonitrile etoaccn  
1859 C4H7NO Methacrylamide c79390  
1860 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1861 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1862 C3H7ONO Propyl nitrite prono  
1863 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1864 CH3CH(NH2)COOH Alanine alanine  
1865 CH3NHCH2COOH Sarcosine sarcosine  
1866 NH2CH2CH2COOH β–alanine betaalanine  
1867 NH2COOC2H5 Urethane urethane  
1868 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1869 C5H8O Cyclopentanone c120923  
1870 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1871 C5H8O Methyl cyclopropyl ketone c765435  
1872 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1873 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1874 NH2CONHC2H5 Urea, ethyl- c625525  
1875 C4H8O2 1,3-Dioxane dioxan13  
1876 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1877 C4H8O2 1,4-Dioxane dioxan14  
1878 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1879 C4H8O2 Ethyl acetate c141786  
1880 C4H8OS s-Ethyl thioacetate c625605  
1881 C3H8O3 1,2,3-Propanetriol glycerin  
1882 C3H8O2S (Methylsulfonyl)ethane c594434  
1883 C4H9NO Butanamide c541355  
1884 C4H9NO Propanamide, 2-methyl- c563837  
1885 C5H10O 2-Butanone, 3-methyl- c563804  
1886 C5H10O 2H-Pyran, tetrahydro- c142687  
1887 C5H10O 2-methylbutyraldehyde 2meba  
1888 C5H10O 2-Pentanone mpk  
1889 C5H10O 3-Pentanone dek  
1890 C5H10O Cyclopentanol c96413  
1891 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1892 C5H10O Pentanal pal  
1893 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1894 C5H10S 3-Ethylthio-1-propene c5296628  
1895 C5H10S Cyclopentanethiol c1679078  
1896 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1897 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1898 C4H10O2 1,1-Dimethoxyethane c534156  
1899 C4H10O2 1,3-Butanediol budiol13  
1900 C4H10O2 1,4-Butanediol budiol14  
1901 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1902 C4H10OS Diethyl sulfoxide c70291  
1903 C4H10S2 1,4-Butanedithiol budisl14  
1904 C4H11NO Diethylhydroxylamine c3710847  
1905 C5H12O 1-Butanol, 2-methyl- c137326  
1906 C5H12O 1-Butanol, 3-methyl- c123513  
1907 C5H12O 1-Pentanol pentanol1  
1908 C5H12O 2-Butanol, 3-methyl- c598754  
1909 C5H12O 2-Pentanol peol2  
1910 C5H12O 3-Pentanol pentan3ol  
1911 C5H12O Butane, 1-methoxy- meobu  
1912 C5H12O Propane, 1-ethoxy- proet  
1913 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1914 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1915 C5H12S 1-Butanethiol, 3-methyl- c541311  
1916 C5H12S 1-Pentanethiol c110667  
1917 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1918 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1919 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1920 C5H12S Butane, 1-(methylthio)- c628295  
1921 C5H12S Ethyl propyl sulfide c4110503  
1922 C5H12S Propane, 2-(ethylthio)- c5145993  
1923 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1924 C4F2 difluorobutadiyne c4f2  
1925 ClCOClCO Oxalyl chloride oxcl  
1926 CF3CN Acetonitrile, trifluoro- cf3cn  
1927 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1928 B2F4 Diboron tetrafluoride b2f4  
1929 B2Cl4 Diboron tetrachloride b2cl4  
1930 C2F4 Tetrafluoroethylene c2f4  
1931 C2F4+ Tetrafluoroethylene cation c2f4+  
1932 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1933 CF2CCl2 difluorodichloroethylene cf2ccl2  
1934 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1935 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1936 C2FCl3 fluorotrichloroethene c2fcl3  
1937 C2Cl4 Tetrachloroethylene c2cl4  
1938 C2Br4 tetrabromoethene c2br4  
1939 CF3OF Trifluoromethylhypofluorite cf3of  
1940 SOF4 Sulfur tetrafluoride oxide sof4  
1941 PF5 Phosphorus pentafluoride pf5  
1942 AsF5 Arsenic pentafluoride asf5  
1943 PCl5 Phosphorus pentachloride pcl5  
1944 SF5 Sulfur pentafluoride sf5  
1945 SF5+ pentafluoro sulfur cation sf5+  
1946 SbCl5 Antimony pentachloride sbcl5  
1947 BrF5 bromine pentafluoride brf5  
1948 ClF5 chlorinepentafluoride clf5  
1949 IF5 pentafluoroiodine if5  
1950 CF3CHO trifluoroacetaldehyde cf3cho  
1951 CCl3CHO trichloroacetaldehyde ccl3cho  
1952 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1953 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1954 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1955 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1956 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1957 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1958 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1959 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1960 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1961 CF3COOH trifluoroacetic acid cf3cooh  
1962 C4H3ClO Furan, 2-chloro fur2cl  
1963 C4H3ClO Furan,3-chloro fur3cl  
1964 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1965 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1966 C4H8Cl2 1,4-Dichlorobutane c110565  
1967 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1968 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1969 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1970 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1971 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1972 C5H11Cl Pentane, 1-chloro- pencl1  
1973 C4H8O2 Butanoic acid bua  
1974 C6H5CH2 benzyl radical benzyl  
1975 C7H7 cycloheptatrienyl radical c7h7  
1976 C7H7+ cycloheptatrienyl cation c7h7+  
1977 C6H5CH3 toluene toluene  
1978 C7H8 cycloheptatriene cht  
1979 C7H8 Norbornadiene norbor  
1980 C7H8 Quadricyclane qucy  
1981 C7H12 Norbornane nor  
1982 C7H14 cycloheptane c7h14  
1983 C7H16 2-methylhexane 2mhex  
1984 C7H16 3-methylhexane hex3m  
1985 C7H16 heptane heptane  
1986 CH(CN)3 tricyanomethane mecn3  
1987 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1988 C6H7N 2-Methylpyridine mp  
1989 C6H5NH2 aniline aniline  
1990 C6H13N 2-Methylpiperidine pip2m  
1991 C6H13N cyclohexanamine cham  
1992 C6H15N triethylamine tea  
1993 N2O5 Dinitrogen pentoxide n2o5  
1994 C4H2O3 Maleic Anhydride malan  
1995 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1996 C5H4O2 furfural furfural  
1997 C6H5O phenoxy radical phenoxy  
1998 C5H5NO 2(1H)-Pyridinone c72762006  
1999 C5H5NO 2(3H)-Pyridinone c9000048  
2000 C5H5NO 2(5H)-Pyridinone c9000037  
2001 C5H5NO 2-Pyridinol c109104  
2002 C5H5NO 3(2H)-Pyridinone c9000004  
2003 C5H5NO 3(4H)-Pyridinone c9000026  
2004 C5H5NO 3(6H)-Pyridinone c9000015  
2005 C5H5NO 3-Pyridinol c109002  
2006 C5H5NO 4(1H)-Pryidinone c9000060  
2007 C5H5NO 4(3H)-Pryidinone c9000059  
2008 C5H5NO 4-Pyridinol c626642  
2009 C6H5OH phenol phenol  
2010 C6H6O 2,4-Cyclohexadienone c24599573  
2011 C6H6O 2,5-Cyclohexadienone c5664335  
2012 C6H5SH Benzenethiol phsh  
2013 HO2CCHNH2CH2OH Serine serine  
2014 C5H8O2 Acetylacetone acac  
2015 C4H8O2S Sulfolane sulfolane  
2016 C7H10 Norbornene norbornene  
2017 CH(C2H3)3 trivinyl methane tvm  
2018 C6H10O cyclohexanone chexo  
2019 C6H12O hexanal c6h12o  
2020 C6H12O Oxepane oxepane  
2021 C3H7OC3H7 di-n-propyl ether propr  
2022 F2CCCF2 tetrafluoroallene pfa  
2023 CF3COO- trifluoro acetate anion cf3coo-  
2024 CF3COF trifluoroacetyl fluoride cf3cof  
2025 CF3COCl trifluoroacetyl chloride cf3cocl  
2026 PF6 Hexafluorophosphate neutral pf6  
2027 PF6- Hexafluorophosphate ion pf6-  
2028 SF6 Sulfur Hexafluoride sf6  
2029 SeF6 Selenium hexafluoride sef6  
2030 SF5Cl sulfur chloropentafluoride sf5cl  
2031 CF3CHF2 pentafluoroethane cf3chf2  
2032 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2033 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2034 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2035 CCl3CHCl2 pentachloroethane ccl3chcl2  
2036 C6H5F Fluorobenzene bzf  
2037 C6H5Cl chlorobenzene bzcl  
2038 C6H5Br bromobenzene bzbr  
2039 C8H6 Calicene calicene  
2040 C6H5CCH phenylacetylene phac  
2041 C8H6 benzocyclobutadiene bcbd  
2042 C8H6 Pentalene pentalene  
2043 C6H5CHCH2 Styrene styrene  
2044 C8H8 cubane cubane  
2045 C8H8 cyclooctatetraene cot  
2046 C6H5CH2CH3 Ethylbenzene etbz  
2047 CH3C6H4CH3 meta-xylene mxylene  
2048 CH3C6H4CH3 paraxylene pxylene  
2049 C8H14 Bicyclo[2.2.2]octane bico222  
2050 C8H16 cyclooctane cyclooct  
2051 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2052 C8H18 Octane c8h18  
2053 C6H5CN phenyl cyanide phcn  
2054 C6H12N2 Triethylenediamine ted  
2055 C4O4-- squarate dianion c4o4--  
2056 S4N4 Tetrasulfur tetranitride s4n4  
2057 S8 Octasulfur s8  
2058 C6H4O2 parabenzoquinone pbq  
2059 C4H4N2O2 Uracil uracil  
2060 C6H5CHO benzaldehyde benzal  
2061 C6H5OCH3 Anisole anisole  
2062 C5H9NO2 Proline proline  
2063 C6H12O2 Methyl pivalate c598981  
2064 C6H12O2 Hexanoic acid hexa  
2065 C4F4 tetrafluorcyclobutadiene c4f4  
2066 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2067 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2068 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2069 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2070 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2071 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2072 C2F6 hexafluoroethane c2f6  
2073 C2Cl6 hexachloroethane c2cl6  
2074 IF7 Iodine heptafluoride if7  
2075 C6H4F2 metadifluorobenzene mdfb  
2076 C6H4F2 orthodifluorobenzene odfb  
2077 C6H4F2 1,4-difluorobenzene pdfb  
2078 C6H4Cl2 1,2-dichlorobenzene dcb12  
2079 C6H4Cl2 1,3-dichlorobenzene dcb13  
2080 C6H4Cl2 1,4-dichlorobenzene dcb14  
2081 C6H5NO nitrosobenzene bzno  
2082 C9H8 Indene indene  
2083 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2084 C9H12 n-propyl benzene prbz  
2085 C9H20 Nonane nonane  
2086 C(CN)4 tetracyanomethane c5n4  
2087 C5H4N4 purine purine  
2088 C8H7N Indole indole  
2089 C3H3N3O3 cyanuric acid cyanuric  
2090 C6H5NO2 Nitrobenzene c6h5no2  
2091 C6H5COOH benzoic acid benzo  
2092 CH3COC6H5 acetophenone acph  
2093 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2094 C3F6 hexafluoropropene c3f6  
2095 C6H3F3 Benzene trifluoride 123 bzf3a  
2096 C8H18O 1-Octanol octanol  
2097 C10H8 Azulene azu  
2098 C10H8 naphthalene naph  
2099 C10H10 bullvalene bullv  
2100 C10H16 adamantane adamantane  
2101 C6N4 Tetracyanoethylene tcne  
2102 C6N4- tetracyanoethylene anion tcne-  
2103 C10H22 Decane decane  
2104 C4F6 perfluorobutadiene c4f6  
2105 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2106 C3F8 perfluoropropane c3f8  
2107 Fe(CO)5 Iron pentacarbonyl ipc  
2108 Fe(C5H5)2 ferrocene fecp2  
2109 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2110 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2111 C12H8 Acenaphthylene acenaph  
2112 C12H8 biphenylene biph  
2113 C12H10 biphenyl biphenyl  
2114 C12H10 Heptalene heptalene  
2115 C6H12O6 Inositol inositol  
2116 C6F6 hexafluorobenzene c6f6  
2117 S2F10 disulphur decafluoride s2f10  
2118 C13H10 Fluorene fluorene  
2119 C14H10 Anthracene anth  
2120 C14H10 Phenanthrene phenanthrene  
2121 C14H14 Bibenzyl bibenzyl  
2122 C12H10N2 azobenzene azobenzene  
2123 C6H5COC6H5 benzophenone benzophenone  
2124 C16H10 Pyrene pyrene  
2125 C18H12 Tetracene tetracene  
2126 C19H16 Triphenylmethane tpm  
2127 C24H12 Coronene coronene  
2128 C60 Buckminsterfullerene c60