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 PBE1PBE /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 H2O Water 1A1C2v
4 H2S Hydrogen sulfide 1A1C2v
5 H2S+ Hydrogen sulfide cation 2B1C2v
6 H3S+ Sulfonium cation 1A1C3v
7 HCl Hydrogen chloride 1ΣC∞v
8 HCl+ hydrogen chloride cation 2ΠC∞v
9 H2Cl+ dihydrogen monochloride cation 1A1C2v
10 Li2 Lithium diatomic 1ΣgD∞v
11 Na2 Sodium diatomic 1ΣgD∞h
12 LiB Lithium boride 3ΠC∞v
13 C2H4 Ethylene 1AgD2h
14 Si2H6 disilane 1EuD3d
15 CN Cyano radical 2ΣC∞v
16 N2 Nitrogen diatomic 1ΣgD∞h
17 HCN Hydrogen cyanide 1ΣC∞v
18 NNH+ Dinitrogen monohydride cation 1ΣC∞v
19 CaS Calcium sulfide 1ΣC∞v
20 BO boron monoxide 2ΣC∞v
21 CO Carbon monoxide 1ΣC∞v
22 CO- carbon monoxide anion 2ΠC∞v
23 CO+ carbon monoxide cation 2ΣC∞v
24 NO Nitric oxide 2ΠC∞v
25 NS Mononitrogen monosulfide 2ΠC∞v
26 PO Phosphorus monoxide 2ΠC∞v
27 O2 Oxygen diatomic 3ΣgD∞h
28 SO Sulfur monoxide 3ΣC∞v
29 CH3SH Methanethiol 1A'Cs
30 CH3SH2+ protonated methylsulfide 1A'Cs
31 LiF lithium fluoride 1ΣC∞v
32 LiCl lithium chloride 1ΣC∞v
33 NaF sodium fluoride 1ΣC∞v
34 NaCl Sodium Chloride 1ΣC∞v
35 NCl nitrogen monochloride 3ΣC∞v
36 ClO Monochlorine monoxide 2ΠC∞v
37 SCl sulfur monochloride 2ΠC∞v
38 F2 Fluorine diatomic 1ΣgD∞h
39 ClF Chlorine monofluoride 1Σ+C∞v
40 Cl2 Chlorine diatomic 1ΣgD∞h
41 Cl2+ chlorine diatomic cation 2ΠgD∞h
42 CH3Cl Methyl chloride 1A1C3v
43 Si3H8 trisilane   
44 CO2 Carbon dioxide 1ΣgD∞h
45 NSO sulfinyl amidogen   
46 SNO Nitrogen oxide sulfide   
47 BH3CO Borane carbonyl 1A1C3v
48 FNS Thionitrosyl fluoride 1A'Cs
49 FSN Thiazyl fluoride 1A'Cs
50 OClO Chlorine dioxide 2B1D∞h
51 ClSO Sulfur chloride oxide 2A"Cs
52 FClO chlorosyl fluoride 1A'Cs
53 ClOF Chlorine hypofluorite 1A'Cs
54 S2N2 Disulfur dinitride 1AGD2h
55 BF3 Borane, trifluoro- 1A'D3h
56 AlF3 Aluminum trifluoride 1A1'D3h
57 ClO2F Chloryl fluoride 1A'Cs
58 HClO4 perchloric acid 1ACs
59 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 anion h2o-  
227 H2O+ water cation h2o+  
228 HDO Water-d1 hdo  
229 D2S Hydrogen sulfide-d2 d2s  
230 H2S- Hydrogen sulfide anion h2s-  
231 H2Se Hydrogen selenide h2se  
232 H2Se+ Hydrogen selenide cation h2se+  
233 H2Te Hydrogen Telluride h2te  
234 H3O+ hydronium cation h3o+  
235 H3Se+ Hydrogen Selenide, protonated h3se+  
236 F Fluorine atom f  
237 F- Fluorine atom anion f-  
238 F+ Fluorine atom cation f+  
239 Cl Chlorine atom cl  
240 Cl- Chlorine atom anion cl-  
241 Cl+ Chlorine atom cation cl+  
242 Mn Manganese atom mn  
243 Br Bromine atom br  
244 Br- Bromine atom anion br-  
245 Br+ Bromine atom cation br+  
246 I Iodine atom iodine  
247 I- Iodine atom anion iodine-  
248 I+ Iodine atom cation iodine+  
249 DF Hydrofluoric acid-d df  
250 HF Hydrogen fluoride hf  
251 HF- hydrogen fluoride anion hf-  
252 HF+ hydrogen fluoride cation hf+  
253 DCl Hydrochloric acid-d dcl  
254 HCl- hydrogen chloride anion hcl-  
255 HBr hydrogen bromide hbr  
256 HBr- hydrogen bromide anion hbr-  
257 HBr+ hydrogen bromide cation hbr+  
258 HI Hydrogen iodide hi  
259 HI+ Hydrogen iodide cation hi+  
260 H2F+ dihydrogen fluoride cation h2f+  
261 H2Br+ protonated hydrogen bromide h2br+  
262 H2I+ Iodonium h2i+  
263 Ne Neon atom ne  
264 Ne- Neon atom anion ne-  
265 Ne+ Neon atom cation ne+  
266 Ar Argon atom ar  
267 Ar- Argon atom anion ar-  
268 Ar+ Argon atom cation ar+  
269 Fe Iron atom fe  
270 Kr Krypton atom kr  
271 Kr+ Krypton cation kr+  
272 Xe Xenon atom xe  
273 HeLi+ Helium Lithium cation heli+  
274 NeH neon hydrogen neh  
275 NeH+ neon hydrogen cation neh+  
276 ArH+ Argon hydride cation arh+  
277 KrH+ Protonated Krypton krh+  
278 XeH+ Xenon, protonated xeh+  
279 H2Ar H2 Ar dimer h2ar  
280 Co Cobalt atom cobalt  
281 Ni Nickel atom ni  
282 Li2- lithium diatomic anion li2-  
283 Li2+ lithium diatomic cation li2+  
284 NaLi lithium sodium lina  
285 NaLi- lithium sodium anion lina-  
286 NaLi+ lithium sodium cation lina+  
287 LiK Lithium Potassium lik  
288 Na2- sodium diatomic anion na2-  
289 Na2+ sodium diatomic cation na2+  
290 NaK Sodium Potassium nak  
291 NaK+ Sodium Potassium diatomic cation nak+  
292 K2 Potassium diatomic k2  
293 Cu2 Copper diatomic cu2  
294 LiBe Lithium Beryllium libe  
295 LiMg Lithium magnesium limg  
296 NaBe Sodium Beryllium nabe  
297 NaMg Sodium Magnesium namg  
298 Be2 Beryllium diatomic be2  
299 Be2- Beryllium diatomic anion be2-  
300 Be2+ Beryllium diatomic cation be2+  
301 BeMg Beryllium Magnesium bemg  
302 Mg2 Magnesium diatomic mg2  
303 Mg2- magnesium diatomic anion mg2-  
304 Mg2+ magnesium diatomic cation mg2+  
305 Ca2 Calcium diatomic ca2  
306 LiAl Lithium Aluminum lial  
307 NaAl Sodium aluminum naal  
308 BeB Beryllium monoboride beb  
309 B2 Boron diatomic b2  
310 B2- Boron diatomic anion b2-  
311 B2+ Boron diatomic cation b2+  
312 BAl Boron Aluminum bal  
313 Al2 Aluminum diatomic al2  
314 Al2- aluminum diatomic anion al2-  
315 Al2+ aluminum diatomic cation al2+  
316 BGa Boron Gallium bga  
317 AlGa Aluminum Gallium alga  
318 Ga2 Gallium diatomic ga2  
319 HBBH Diborane(2) hbbh  
320 LiBH4 Lithium borohydride libh4  
321 B2H4 Diborane(4) D2d b2h4  
322 HBHHBH Diborane(4) C2V hbhhbh  
323 B2H6 Diborane b2h6  
324 B2H6+ Diborane cation b2h6  
325 Al2H6 dialane al2h6  
326 Ga2H6 digallane ga2h6  
327 LiC Lithium Carbide lic  
328 BeC Beryllium Carbide bec  
329 CaC Calcium monocarbide cac  
330 BC boron monocarbide bc  
331 BC- boron monocarbide anion bc-  
332 BC+ boron monocarbide cation bc+  
333 AlC Aluminum carbide alc  
334 BSi Boron silicide bsi  
335 C2 Carbon diatomic c2  
336 C2- carbon diatomic anion c2-  
337 C2+ carbon diatomic cation c2+  
338 SiC silicon monocarbide sic  
339 SiC- silicon monocarbide anion sic-  
340 SiC+ silicon monocarbide cation sic+  
341 Si2 Silicon diatomic si2  
342 Si2- silcon diatomic anion si2-  
343 Si2+ silcon diatomic cation si2+  
344 GeC Germanium monocarbide gec  
345 SiGe Silicon Germanium sige  
346 Ge2 Germanium diatomic ge2  
347 C2H Ethynyl radical c2h  
348 C2H- Ethynyl anion c2h-  
349 C2H+ Ethynyl cation c2h+  
350 ZnCH2 Zinc methylene znch2  
351 C2H2 Acetylene c2h2  
352 C2H2+ acetylene cation c2h2+  
353 CCH2 vinylidene vinylidene  
354 H2CC- vinylidene anion h2cc-  
355 HCCH- acetylene anion c2h2-  
356 Si2H2 disilyne si2h2  
357 CH3Li methyl lithium ch3li  
358 CuCH3 monomethyl copper cuch3  
359 ZnCH3 Zinc monomethyl znch3  
360 CH2BH methyleneborane ch2bh  
361 C2H3 vinyl c2h3  
362 C2H3- vinyl anion c2h3-  
363 C2H3+ vinyl cation c2h3+  
364 C2H4- Ethylene anion c2h4-  
365 C2H4+ Ethylene cation c2h4+  
366 CH3CH methylmethylene ch3ch  
367 CH2SiH2 silaethylene ch2sih2  
368 Si2H4 Disilene si2h4  
369 CH3BH2 methylborane ch3bh2  
370 C2H5 Ethyl radical c2h5  
371 C2H5- Ethyl anion c2h5-  
372 C2H5+ Ethyl cation c2h5+  
373 C2H6 Ethane c2h6  
374 C2H6+ ethane cation c2h6+  
375 CH3SiH3 methyl silane ch3sih3  
376 GeH3CH3 methyl germane geh3ch3  
377 C2H7+ Ethane, protonated c2h7+  
378 LiN Lithium Nitride lin  
379 LiN+ Lithium Nitride cation lin+  
380 LiP Lithium monophosphide lip  
381 BeN Beryllium mononitride ben  
382 BeN- Beryllium mononitride anion ben-  
383 BeN+ Beryllium mononitride cation ben+  
384 MgN Magnesium Nitride mgn  
385 BN- boron nitride anion bn-  
386 AlN- aluminum mononitride anion aln-  
387 AlN+ aluminum mononitride cation aln+  
388 BP Boron monophosphide bp  
389 AlP Aluminum monophosphide alp  
390 GaN Gallium mononitride gan  
391 GaP Gallium monophosphide gap  
392 GaAs Gallium arsenide gaas  
393 BN boron nitride bn  
394 BN+ boron nitride cation bn+  
395 AlN Aluminum nitride aln  
396 CN- cyanide anion cn-  
397 CN+ Cyano cation cn+  
398 CP Carbon monophosphide cp  
399 CP- carbon monophosphide anion cp-  
400 CP+ carbon monophosphide cation cp+  
401 SiN Silicon nitride sin  
402 SiN- silicon mononitride anion sin-  
403 SiN+ silicon mononitride cation sin+  
404 SiP Silicon monophosphide sip  
405 SiP- Silicon monophosphide anion sip-  
406 SiP+ Silicon monophosphide cation sip+  
407 TiN Titanium mononitride tin  
408 N2- nitrogen diatomic anion n2-  
409 N2+ diatomic nitrogen cation n2+  
410 PN Phosphorus mononitride pn  
411 PN- phosphorus nitride anion pn-  
412 PN+ phosphorus nitride cation pn+  
413 P2 Phosphorus diatomic p2  
414 P2- phosphorus diatomic anion p2-  
415 P2+ phosphorus diatomic cation p2+  
416 AsN Arsenic mononitride asn  
417 AsP Arsenic monophosphide asp  
418 SbN Antimony nitride sbn  
419 As2 Arsenic diatomic as2  
420 HNB hydrogen nitrogen boron hnb  
421 HNC hydrogen isocyanide hnc  
422 HCN- Hydrogen cyanide anion hcn-  
423 HCN+ hydrogen cyanide cation hcn+  
424 HNC+ hydrogen isocyanide cation hnc+  
425 HCP Phosphaethyne hcp  
426 HCP+ Phosphaethyne cation hcp+  
427 NNH Dinitrogen monohydride nnh  
428 HPO Hydrogen phosphorus oxide hpo  
429 HPO+ Hydrogen phosphorus oxide cation hpo+  
430 LiNH2 lithium amide linh2  
431 HBNH Boranimine hbnh  
432 CNH2 Aminomethylidyne radical cnh2  
433 CNH2+ N-protonated hydrogen isocyanide cnh2+  
434 H2CN Dihydrogen cyanide radical h2cn  
435 H2CN+ hydrocyanonium cation h2cn+  
436 HCNH methyleneazane hcnh  
437 HCNH+ N-protonated HCN hcnh+  
438 H2NN Isodiazene h2nn  
439 N2H2 (E)-diazene n2h2  
440 N2H2 (Z)-Diazene n2h2z  
441 N2H2+ trans-diazene cation n2h2+  
442 CH2NH Methanimine ch3n  
443 CH2NH+ Methanimine cation ch2nh+  
444 CHNH2 aminomethylene chnh2  
445 CHNH2+ Aminocarbene cation chnh2+  
446 CH2PH Phosphaethene ch3p  
447 BH2NH2 Boranamine bh2nh2  
448 CH2NH2+ methyleneamine cation ch2nh2+  
449 N2H4 Hydrazine n2h4  
450 N2H4+ hydrazine cation n2h4+  
451 P2H4 Diphosphine p2h4  
452 CH3NH2 methyl amine ch3nh2  
453 CH3NH2+ methyl amine cation ch3nh2+  
454 CH3PH2 Methyl phosphine ch3ph2  
455 SiH3NH2 Silane, amino sih3nh2  
456 N2H5+ protonated hydrazine n2h5+  
457 BH3PH3 borane phosphine bh3ph3  
458 BH3NH3 borane ammonia bh3nh3  
459 CH3NH3 methyl ammonium radical ch3nh3  
460 CH3NH3+ protonated methylamine ch3nh3+  
461 CH3PH3+ methyl phosphine, protonated ch3ph3+  
462 NH3NH3 Ammonia Dimer nh3nh3  
463 N2H7+ ammonia ammonium dimer n2h7+  
464 LiO lithium oxide lio  
465 LiO- lithium oxide anion lio-  
466 LiO+ lithium oxide cation lio+  
467 LiS Lithium monosulfide lis  
468 LiS+ Lithium sulfide cation lis+  
469 NaO sodium monoxide nao  
470 NaO- sodium oxide anion nao-  
471 NaO+ sodium oxide cation nao+  
472 KO Potassium monoxide ko  
473 KO+ Potassium monoxide cation ko+  
474 NaS Sodium sulfide nas  
475 CuO Copper Monoxide cuo  
476 LiSe Lithium monoselenide lise  
477 BeO beryllium oxide beo  
478 BeO- Beryllium monoxide anion beo-  
479 BeO+ Beryllium monoxide cation beo+  
480 BeS beryllium sulfide bes  
481 MgO magnesium oxide mgo  
482 MgO- magnesium oxide anion mgo-  
483 MgO+ magnesium oxide cation mgo+  
484 CaO Calcium monoxide cao  
485 MgS magnesium sulfide mgs  
486 MgS- magnesium sulfide anion mgs-  
487 MgS+ magnesium sulfide cation mgs+  
488 ZnO zinc monoxide zno  
489 ZnS Zinc sulfide zns  
490 BeS- Beryllium monosulfide anion bes-  
491 BeS+ Beryllium monosulfide cation bes+  
492 BO- boron monoxide anion bo-  
493 AlO Aluminum monoxide alo  
494 AlO- Aluminum monoxide anion alo-  
495 AlO+ aluminum monoxide cation alo+  
496 BS boron sulfide bs  
497 BS- boron monosulfide anion bs-  
498 BS+ boron monosulfide cation bs+  
499 AlS Aluminum sulfide als  
500 AlS- aluminum monosulfide anion als-  
501 AlS+ aluminum monosulfide cation als+  
502 ScO Scandium monoxide sco  
503 GaO Gallium monoxide gao  
504 GaS Gallium monosulfide gas  
505 BO+ boron monoxide cation bo+  
506 CS carbon monosulfide cs  
507 CS- carbon monosulfide anion cs-  
508 CS+ carbon monosulfide cation cs+  
509 SiO Silicon monoxide sio  
510 SiO- silicon monoxide anion sio-  
511 SiO+ silicon monoxide cation sio+  
512 SiS silicon monosulfide sis  
513 SiS- silicon monosulfide anion sis-  
514 SiS+ silicon monosulfide cation sis+  
515 TiO Titanium monoxide tio  
516 CSe Carbon monoselenide cse  
517 CSe- Carbon monoselenide anion cse-  
518 CSe+ Carbon monoselenide cation cse+  
519 GeO Germanium monoxide geo  
520 GeO+ Germanium monoxide cation geo+  
521 GeS Germanium monosulfide ges  
522 SiSe Silicon Monoselenide sise  
523 SiSe+ Silicon Monoselenide cation sise+  
524 GeSe Germanium monoselenide gese  
525 NO- nitric oxide anion no-  
526 NO+ nitric oxide cation no+  
527 NS- nitrogen sulfide anion ns-  
528 NS+ nitrogen sulfide cation ns+  
529 PO- phosphorus monoxide anion po-  
530 PO+ phosphorus monoxide cation po+  
531 PS phosphorus sulfide ps  
532 PS- phosphorus monosulfide anion ps-  
533 PS+ phosphorus monosulfide cation ps+  
534 VO Vanadium monoxide vo  
535 AsO Arsenic monoxide aso  
536 NSe Nitrogen monoselenide nse  
537 AsS Arsenic monosulfide ass  
538 PSe Phosphorus monoselenide pse  
539 AsSe Arsenic monoselenide asse  
540 O2- oxygen diatomic anion o2-  
541 O2-- dioxygen dianion o2--  
542 O2+ diatomic oxygen cation o2+  
543 SO- sulfur monoxide anion so-  
544 SO+ sulfur monoxide cation so+  
545 S2 Sulfur diatomic s2  
546 S2- sulfur diatomic anion s2-  
547 S2+ sulfur diatomic cation s2+  
548 SeO Selenium monoxide seo  
549 SeO- selenium monoxide anion seo-  
550 SeO+ selenium monoxide cation seo+  
551 SeS Selenium monosulfide ses  
552 SeS- selenium monosulfide anion ses-  
553 SeS+ selenium monosulfide cation ses+  
554 TeO Tellurium monoxide teo  
555 Se2 Selenium diatomic se2  
556 Se2- selenium diatomic anion se2-  
557 Se2+ selenium diatomic cation se2+  
558 Te2 Tellurium diatomic te2  
559 LiOH lithium hydroxide lioh  
560 NaOH sodium hydroxide naoh  
561 KOH Potassium hydroxide koh  
562 BeOH beryllium monohydroxide beoh  
563 MgOH magnesium hydroxide mgoh  
564 CaOH Calcium monohydroxide caoh  
565 HBO Boron hydride oxide hbo  
566 HBS hydrogen boron sulfide hbs  
567 COH Hydroxymethylidyne coh  
568 COH+ Carbon Monoxide, protonated coh+  
569 HCO Formyl radical hco  
570 HCO- formyl anion hco-  
571 HCO+ Formyl cation hco+  
572 HCS Thioformyl radical hcs  
573 HCS- Thioformyl anion hcs-  
574 HCS+ Thioformyl cation hcs+  
575 HNO Nitrosyl hydride hno  
576 HNO- Nitrosyl hydride anion hno-  
577 HNO+ Nitrosyl hydride cation hno+  
578 NOH Hydroxyimidogen noh  
579 NOH+ O-protonated nitric oxide noh+  
580 HNS Sulfur imide hns  
581 HNS- Sulfur imide anion hns-  
582 HO2 Hydroperoxy radical ho2  
583 HO2- Hydroperoxy anion ho2-  
584 HO2+ Hydroperoxy cation ho2+  
585 HSO+ Sulfur Monoxide, S-protonated HSO+  
586 SOH Sulfur Hydroxide soh  
587 SOH+ Sulfur Monoxide, protonated soh+  
588 HS2 Thiosulfeno radical hs2  
589 H2CO Formaldehyde h2co  
590 H2CO- formaldehyde anion h2co-  
591 H2CO+ formaldehyde cation h2co+  
592 HOCH hydroxycarbene hoch  
593 H2CS Thioformaldehyde h2cs  
594 H2CS- thioformaldehyde anion h2cs-  
595 H2CS+ thioformaldehyde cation h2cs+  
596 H2CSe Selenoformaldehyde h2cse  
597 H2NO nitroxide h2no  
598 H2O2 Hydrogen peroxide h2o2  
599 H2O2+ Hydrogen peroxide cation h2o2+  
600 H2OO water oxide h2oo  
601 HOSH hydrogen thioperoxide hosh  
602 H2S2 Disulfane h2s2  
603 H2S2+ hydrogen disulfide cation h2s2+  
604 H2Se2 hydrogen diselenide h2se2  
605 CH2OH Hydroxymethyl radical ch2oh  
606 CH2OH+ hydroxymethyl cation ch2oh+  
607 CH3O Methoxy radical ch3o  
608 CH3O- methoxy anion ch3o-  
609 CH3O+ Methoxy cation ch3o+  
610 CH3S thiomethoxy ch3s  
611 H2CSH+ Thioformaldehyde, protonated h2csh+  
612 NH2OH hydroxylamine nh2oh  
613 NH2OH+ Hydroxylamine cation nh2oh+  
614 NH3O Ammonia Oxide nh3o  
615 H2POH Phosphinous acid h2poh  
616 H3PO Phosphine oxide h3po  
617 NH2SH Thiohydroxylamine nh2sh  
618 NH3S sulfidoazane nh3s  
619 H3O2+ hydrogen peroxide, protonated h3o2+  
620 CH3OH Methyl alcohol ch3oh  
621 CH3OH- Methyl alcohol anion ch3oh-  
622 CH3OH+ Methyl alcohol cation ch3oh+  
623 CH3SH+ Methanethiol cation ch3sh+  
624 SiH3OH silanol sih3oh  
625 CH3SeH Methane selenol ch3seh  
626 NH2OH2+ protonated hydroxylamine nh2oh2+  
627 NH3OH+ N-protonated hydroxylamine nh3oh+  
628 H2OH2O water dimer h2oh2o  
629 CH3OH2+ Methanol, protonated ch3oh2+  
630 H2ONH3 Water Ammonia Dimer h2onh3  
631 H5O2+ Dihydroxonium ion h5o2+  
632 LiCl- lithium chloride anion licl-  
633 LiCl+ lithium chloride cation licl+  
634 NaF- sodium fluoride anion naf-  
635 NaF+ sodium fluoride cation naf+  
636 KF Potassium Fluoride kf  
637 NaCl- sodium chloride anion nacl-  
638 NaCl+ sodium chloride cation nacl+  
639 KCl Potassium Chloride kcl  
640 CuF Copper monofluoride cuf  
641 LiBr Lithium Bromide libr  
642 LiBr- lithium bromide anion libr-  
643 LiBr+ lithium bromide cation libr+  
644 CuCl Copper monochloride cucl  
645 NaBr Sodium Bromide nabr  
646 NaBr- sodium bromide anion nabr-  
647 NaBr+ sodium bromide cation nabr+  
648 KBr Potassium Bromide kbr  
649 LiI Lithium Iodide lii  
650 NaI Sodium Iodide nai  
651 KI Potassium Iodide ki  
652 LiF- lithium fluoride anion lif-  
653 LiF+ lithium fluoride cation lif+  
654 BeF Beryllium monofluoride bef  
655 BeF- Beryllium monofluoride anion bef-  
656 BeF+ Beryllium monofluoride cation bef+  
657 BeCl beryllium monochloride becl  
658 MgF Magnesium monofluoride mgf  
659 MgF- magnesium fluoride anion mgf-  
660 MgF+ magnesium fluoride cation mgf+  
661 CaF Calcium monofluoride caf  
662 MgCl magnesium monochloride mgcl  
663 MgCl- magnesium monochloride anion mgcl-  
664 MgCl+ magnesium monochloride cation mgcl+  
665 CaCl calcium monochloride cacl  
666 TiCl Titanium Monochloride ticl  
667 ZnF Zinc monofluoride znf  
668 ZnF- Zinc monofluoride anion znf-  
669 ZnF+ Zinc monofluoride cation znf+  
670 ZnCl Zinc monochloride zncl  
671 CaBr Calcium monobromide cabr  
672 BeCl- beryllium monochloride anion becl-  
673 BeCl+ beryllium monochloride cation becl+  
674 BF Boron monofluoride bf  
675 BF- Boron monofluoride anion bf-  
676 BF+ Boron monofluoride cation bf+  
677 AlF Aluminum monofluoride alf  
678 AlF- Aluminum monofluoride anion alf-  
679 AlF+ Aluminum monofluoride cation alf+  
680 BCl boron monochloride bcl  
681 BCl- boron monochloride anion bcl-  
682 BCl+ boron monochloride cation bcl+  
683 AlCl Aluminum monochloride alcl  
684 AlCl- aluminum monochloride anion alcl-  
685 AlCl+ aluminum monochloride cation alcl+  
686 ScF Scandium monofluoride scf  
687 BBr Boron monobromide bbr  
688 GaF Gallium monofluoride gaf  
689 GaF+ Gallium monofluoride cation gaf+  
690 AlBr Aluminum monobromide albr  
691 GaCl Gallium monochloride gacl  
692 GaCl+ Gallium monochloride cation gacl+  
693 AlI Aluminum monoiodide ali  
694 GaBr Gallium monobromide gabr  
695 CF Fluoromethylidyne cf  
696 CF- carbon monofluoride anion cf-  
697 CF+ carbon monofluoride cation cf+  
698 CCl carbon monochloride ccl  
699 CCl- carbon monochloride anion ccl-  
700 CCl+ carbon monochloride cation ccl+  
701 SiF silicon monofluoride sif  
702 SiF- silicon monofluoride anion sif-  
703 SiF+ silicon monofluoride cation sif+  
704 SiCl Clorosilylidyne sicl  
705 SiCl- silicon monochloride anion sicl-  
706 SiCl+ silicon monochloride cation sicl+  
707 CBr Carbon monobromide cbr  
708 GeF Germanium monofluoride gef  
709 GeF+ Germanium monofluoride cation gef+  
710 GeCl Germanium monochloride gecl  
711 GeCl+ Germanium monochloride cation gecl+  
712 SiBr Silicon monobromide sibr  
713 SiBr+ Silicon monobromide cation sibr+  
714 NF nitrogen fluoride nf  
715 NF- nitrogen monofluorine anion nf-  
716 NF+ nitrogen monofluoirde cation nf+  
717 NCl- nitrogen monochloride anion ncl-  
718 NCl+ nitrogen monochloride cation ncl+  
719 PF phosphorus monofluoride pf  
720 PF- phosphorus monofluoride anion pf-  
721 PF+ phosphorus monofluoride cation pf+  
722 PCl phosphorus chloride pcl  
723 PCl- phosphorus monochloride anion pcl-  
724 PCl+ phosphorus monochloride cation pcl+  
725 AsF Arsenic monofluoride asf  
726 NBr nitrogen monobromide nbr  
727 AsCl Arsenic monochloride ascl  
728 PBr Phosphorus monobromide pbr  
729 SbF Antimony monofluoride sbf  
730 SbCl Antimony monochloride sbcl  
731 FO Oxygen monofluoride fo  
732 FO- flourine oxide anion fo-  
733 FO+ fluorine monoxide cation fo+  
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 anion scl-  
740 SCl+ sulfur monochloride cation scl+  
741 BrO Bromine monoxide bro  
742 BrO- Bromine monoxide anion bro-  
743 BrO+ Bromine monoxide cation bro+  
744 SeF Selenium monofluoride sef  
745 SBr Sulfur monobromide radical sbr  
746 SBr+ Sulfur monobromide cation sbr+  
747 SeCl Selenium monochloride secl  
748 IO Iodine monoxide io  
749 SeBr Selenium monobromide sebr  
750 BrCl Bromine monochloride brcl  
751 F2- flourine diatomic anion f2-  
752 F2+ flourine diatomic cation f2+  
753 ClF- clorine monofluoride anion clf-  
754 ClF+ clorine monofluoride cation clf+  
755 Cl2- chlorine diatomic anion cl2-  
756 BrF Bromine monofluoride brf  
757 BrF- bromine fluoride anion brf-  
758 BrF+ bromine fluoride cation brf+  
759 BrCl- bromine chloride anion brcl-  
760 BrCl+ bromine chloride cation brcl+  
761 IF Iodine monofluoride if  
762 Br2 Bromine diatomic br2  
763 Br2- bromine diatomic anion br2-  
764 Br2+ bromine diatomic cation br2+  
765 ICl Iodine monochloride icl  
766 IBr Iodine monobromide ibr  
767 I2 Iodine diatomic i2  
768 I2+ Iodine diatomic cation i2+  
769 HCF Fluoromethylene hcf  
770 HCCl Chloromethylene hccl  
771 HSiF fluorosilylene hsif  
772 HSiCl Chlorosilylene hsicl  
773 HSiBr monobromosilylene hsibr  
774 CHBr bromomethylene chbr  
775 HOF Hypofluorous acid hfo  
776 DOCl Hypochlorous acid-d docl  
777 HOCl hypochlorous acid hocl  
778 HOCl+ hypochlorous acid cation hocl+  
779 HOBr Hypobromous acid hobr  
780 HOBr+ Hypobromous acid cation hobr+  
781 HOI Hypoiodous acid hoi  
782 F2H+ Fluorine, protonated f2h+  
783 FHF Hydrogen difluoride fhf  
784 FHF- Hydrogen difluoride anion fhf-  
785 ClFH+ Chlorine fluoride, F-protonated clfh+  
786 FClH+ Chlorine fluoride, Cl-protonated fclh+  
787 Cl2H+ Chlorine, protonated cl2h+  
788 CH2Br bromomethyl radical ch2br  
789 CH2F fluoromethyl radical ch2f  
790 CH2F+ fluoromethyl cation ch2f+  
791 CH2Cl+ chloromethyl cation ch2cl+  
792 CH2Cl chloromethyl radical ch2cl  
793 NH2F monofluoroamine nh2f  
794 NH2Cl chloramine nh2cl  
795 H2F2 Hydrogen fluoride dimer h2f2  
796 CH3F+ methyl fluoride cation ch3f+  
797 CD3F methylfluoride-d3 cd3f  
798 CH3F Methyl fluoride ch3f  
799 CD3Cl methyl chloride d3 cd3cl  
800 CH3Cl+ Methyl chloride cation ch3cl+  
801 SiH3F monofluorosilane sih3f  
802 SiH3Cl chlorosilane sih3cl  
803 CH3Br methyl bromide ch3br  
804 GeH3F monofluorogermane geh3f  
805 GeH3Cl monochlorogermane geh3cl  
806 SiH3Br bromosilane sih3br  
807 CH3I methyl iodide ch3i  
808 SiH3I Silyl Iodide sih3i  
809 NH3Cl+ protonated monochloroammonia nh3cl+  
810 CH3ClH+ methyl chloride, protonated ch3clh+  
811 NH4Cl Ammonium chloride nh4cl  
812 LiNe+ Lithium Neon cation line+  
813 Ne2 Neon diatomic ne2  
814 Ne2+ Neon diatomic cation ne2+  
815 Ar2 Argon diatomic ar2  
816 Ar2+ Argon diatomic cation ar2+  
817 Li3 Lithium trimer li3  
818 Li3+ Lithium trimer cation li3+  
819 C3 carbon trimer c3  
820 C3+ carbon trimer cation c3+  
821 SiC2 Silicon dicarbide sic2  
822 C3H3 cyclopropenyl radical cpr  
823 C3H3 Propargyl radical propargyl  
824 C3H3- Propargyl anion c3h3-  
825 C3H3+ cyclopropenyl cation cpr+  
826 C3H3+ Propargyl cation c3h3+  
827 C3H4 cyclopropene cprop  
828 CH2CCH2 allene allene  
829 CH3CCH propyne propyne  
830 C3H5 Allyl radical allyl  
831 C3H5+ Allyl cation allyl+  
832 CH3CHCH 1-propenyl radical ch3chch  
833 Zn(CH3)2 dimethyl zinc dmz  
834 C3H6 Cyclopropane c3h6  
835 CH2CHCH3 Propene propene  
836 C3H7 n-Propyl radical npropyl  
837 C3H7+ cyclopropane, protonated c3h7+  
838 CH3CHCH3 Isopropyl radical isopropyl  
839 CH3CHCH3+ Isopropyl cation prop2yl+  
840 C3H8 Propane propane  
841 SiH2(CH3)2 dimethylsilane dms  
842 LiCN lithium cyanide licn  
843 NaCN Sodium Cyanide nacn  
844 KCN Potassium cyanide kcn  
845 CuCN Copper cyanide cucn  
846 ZnCN Zinc monocyanide zncn  
847 ZnNC Zinc isocyanide znnc  
848 AlCN Aluminum monocyanide alcn  
849 AlNC Aluminum isocyanide alnc  
850 CN2 3H-Diazirin-3-ylidene cn2  
851 CNN Diazocarbene cnn  
852 NCN Cyanoimidogen ncn  
853 N3 azide radical n3  
854 N3- azide anion n3-  
855 N3+ azide cation n3+  
856 HCCN cyanomethylene hccn  
857 HCNN diazomethyl radical hcnn  
858 HN3 hydrogen azide hn3  
859 HN3+ Hydrazoic acid cation hn3+  
860 HNCNH diiminomethane hncnh  
861 CH2N2 diazirine ch2n2  
862 CH2NN diazomethane ch2nn  
863 NH2CN cyanamide cyanamide  
864 HNNNH+ 1,2-Triazadienium n2h3+  
865 NH2NN+ hydrazoic acid, protonated nh2nn+  
866 CH3CN Acetonitrile ch3cn  
867 CH3CN- acetonitrile anion ch3cn-  
868 CH3CN+ Acetonitrile cation ch3cn+  
869 CH3NC methyl isocyanide ch3nc  
870 CHNCH2 2H-Azirine c157164  
871 CHNHCH 1H-Azirine chnhch  
872 H2CCNH Ethenimine ch2cnh  
873 H2CNCH methyleneaminomethylene ch2nch  
874 HCCNH2 Ethynamine hccnh2  
875 HCNCH2+ 2H-Azirine cation hcnch2+  
876 HNCNH2+ diiminomethane, protonated hncnh2+  
877 NCNH3+ Cyanamide, protonated ncnh3+  
878 NH2CNH+ cyanamide, cn protonated nh2cnh+  
879 NH3CN+ cyanamide, amine protonated nh3cn+  
880 CH2CHNH vinylazine ch2chnh  
881 CH3CHN methylmethaniminyl radical ch3chn  
882 NHCHNH2 aminomethanimine cn2h4  
883 C2H5N Aziridine c2h5n  
884 CH2CHNH2 aminoethene aminoethene  
885 CH2NCH3 N-methylmethanimine nmm  
886 CH3CHNH ethanimine ethanimine  
887 NH2BHNH2 diaminoborane nh2bhnh2  
888 C2H5NH+ Protonated Aziridine c2h5nh+  
889 C2H6N+ aziridine, protonated c2h6n+  
890 NH2CH2NH2 diaminomethane nh2ch2nh2  
891 CH3CH2NH2 Ethylamine etam  
892 CH3NHCH3 Dimethylamine ch3nhch3  
893 CH3PHCH3 dimethylphosphine ch3phch3  
894 NH2CH2NH3+ diaminoethane, protonated pdam  
895 (CH3)2NH2+ dimethylammonium cation dmam  
896 CH3CH2NH3+ ethylamine, protonated pea  
897 Li2O dilithium oxide li2o  
898 Li2O+ dilithium oxide cation li2o+  
899 Li2S dilithium sulfide li2s  
900 Na2O disodium monoxide na2o  
901 Na2S Sodium sulfide na2s  
902 LiO2 Lithium dioxide lio2  
903 NaO2 Sodium superoxide nao2  
904 CCO Dicarbon monoxide cco  
905 CNO- fulminate cno-  
906 NCO isocyanato radical nco  
907 NCO- cyanate nco-  
908 SCN thiocyanato radical scn  
909 SCN- thiocyanide anion scn-  
910 BO2 Boron dioxide bo2  
911 BO2- Boron dioxide anion bo2-  
912 BO2+ Boron dioxide cation bo2+  
913 N2O Nitrous oxide n2o  
914 N2O- Nitrous oxide anion n2o-  
915 N2O+ Nitrous oxide cation n2o+  
916 NNS Nitrogen sulfide nns  
917 PPO Phosphorus oxide phosphide ppo  
918 CO2- Carbon dioxide anion co2-  
919 CO2+ Carbon dioxide cation co2+  
920 OCS Carbonyl sulfide cos  
921 OCS+ Carbonyl sulfide cation cos+  
922 SiO2 silicon dioxide sio2  
923 CS2 Carbon disulfide cs2  
924 CS2- Carbon disulfide anion cs2-  
925 CS2+ Carbon disulfide cation cs2+  
926 TiO2 Titanium dioxide tio2  
927 SiS2 Silicon disulfide sis2  
928 GeO2 Germanium dioxide geo2  
929 OCSe Carbonyl selenide ocse  
930 SCSe Carbon sulfide selenide scse  
931 GeS2 Germanium disulfide ges2  
932 CSe2 Carbon diselenide cse2  
933 SCTe Carbon sulfide Telluride scte  
934 NO2 Nitrogen dioxide no2  
935 NO2- Nitrogen dioxide anion no2-  
936 NO2+ Nitrogen dioxide cation no2+  
937 PO2 Phosphorus dioxide po2  
938 PO2- Phosphorus dioxide anion po2-  
939 PO2+ Phosphorus dioxide cation po2+  
940 AsO2 Aresenic dioxide aso2  
941 O3 Ozone o3  
942 O3- Ozone anion o3-  
943 O3+ Ozone cation o3+  
944 SO2 Sulfur dioxide so2  
945 SO2- Sulfur dioxide anion so2-  
946 SO2+ Sulfur dioxide cation so2+  
947 SSO Disulfur monoxide sso  
948 S3 Sulfur trimer s3  
949 S3- Sulfur trimer anion s3-  
950 S3+ Sulfur trimer cation s3+  
951 SeO2 Selenium dioxide seo2  
952 SeO2+ Selenium dioxide cation seo2+  
953 TeO2 Tellurium Dioxide teo2  
954 HCCO ketenyl radical ketenyl  
955 CS2H+ Carbon disulfide, protonated cs2h+  
956 HCNO fulminic acid hcno  
957 HNCO Isocyanic acid hnco  
958 HOCN cyanic acid hocn  
959 HNCS Isothiocyanic acid hncs  
960 HSCN thiocyanic acid hscn  
961 HCO2- formate anion hco2-  
962 HNNO nitrosoazane hnno  
963 HNNO+ Nitrous oxide, N-protonated hnno+  
964 NNOH+ Nitrous Oxide, O-protonated nnoh+  
965 HCOO formate neutral radical hcoo  
966 HOCO Hydrocarboxyl radical hoco  
967 HOCO+ Hydrocarboxyl cation hoco+  
968 HNO2 Nitrous acid hno2  
969 HNO2+ nitrous acid cation hno2+  
970 O3H+ protonated ozone o3h+  
971 SO2H+ protonated sulfur dioxide so2h+  
972 C2H2O Oxirene oxirene  
973 CH2CO Ketene ch2co  
974 CH2CO+ Ketene cation ch2co+  
975 HCCOH ethynol hccoh  
976 CH2CS Thioketene ch2cs  
977 Be(OH)2 Beryllium hydroxide beo2h2  
978 Mg(OH)2 Magnesium dihydroxide h2mgo2  
979 NH2NO Nitrosamide nh2no  
980 CH2O2 Dioxirane diox  
981 H2COO Dioxymethyl radical h2coo  
982 H2COO+ dioxymethyl cation h2coo+  
983 HCOOH Formic acid ch2o2  
984 H2O3 Hydrogen trioxide h2o3  
985 HSSSH trisulfane hsssh  
986 NaOCH3 Sodium methoxide naoch3  
987 CH2BOH hydroxy(methylene)borane ch2boh  
988 CH3BO Borane, methyloxo- ch3bo  
989 CH2CHO Vinyloxy radical ch2cho  
990 CH2COH+ ketene, protonated ch2coh+  
991 CH3CO Acetyl radical ch3co  
992 CH3CO- Acetyl anion ch3co-  
993 CH3CO+ acetyl cation ch3co+  
994 CH2NOH formaldoxime ch2noh  
995 CH3NO nitrosomethane ch3no  
996 CHONH2 formamide formamide  
997 CNOH3 1,2-oxaziridine cnoh3  
998 HOCHNH hydroxymethylimine hochnh  
999 CHSNH2 thioformamide chsnh2  
1000 NHCHSH Methanimidothioic acid nhchsh  
1001 CH2OOH CH2OOH radical ch2ooh  
1002 CH3OO methylperoxy radical ch3oo  
1003 CH3OO- methylperoxy anion ch3oo-  
1004 CH3OO+ methylperoxy cation ch3oo+  
1005 C2H4O Ethylene oxide c2h4o  
1006 C2H4O+ ethylene oxide cation c2h4o+  
1007 CH2CHOH ethenol ch2choh  
1008 CH3CHO Acetaldehyde ch3cho  
1009 CH3CHO+ acetaldehyde cation ch3cho+  
1010 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1011 C2H4S Thiirane thiirane  
1012 CH2CHSH Ethenethiol ch2chsh  
1013 CH3CHS Thioacetaldehyde ch3chs  
1014 H2CONH2+ protonated formamide h2conh2+  
1015 NH2CHOH+ Formamide, O-protonated nh2choh+  
1016 NH3CHO+ Formamide, N-Protonated nh3cho+  
1017 CH2(OH)2 methanediol ch2o2h2  
1018 CH3OOH Methyl peroxide ch3ooh  
1019 CH3SSH Hydrogen methyl disulfide ch3ssh  
1020 HSCH2SH Methanedithiol ch4s2  
1021 H2OH2CO water formaldehyde dimer h2oh2co  
1022 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1023 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1024 CH3CH2O Ethoxy radical ethoxy  
1025 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1026 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1027 CH3OCH2 methoxymethyl radical ch3och2  
1028 NH2CH2OH aminomethanol nh2ch2oh  
1029 CH3CH2OH Ethanol etoh  
1030 CH3OCH3 Dimethyl ether meome  
1031 CH3CH2SH ethanethiol etsh  
1032 CH3SCH3 Dimethyl sulfide mesme  
1033 CH3SCH3+ dimethyl sulfide cation mesme+  
1034 CH3SeCH3 dimethylselenide dmse  
1035 CH3OHH2O methanol water dimer ch3ohh2o  
1036 H2OCH3OH water methanol dimer h2och3oh  
1037 CuF2 Copper difluoride cuf2  
1038 ZnF2 Zinc difluoride znf2  
1039 CNF iso cyanogen fluoride cnf  
1040 FCN Cyanogen fluoride fcn  
1041 ClCN chlorocyanogen clcn  
1042 BrCN Cyanogen bromide brcn  
1043 ICN Cyanogen iodide icn  
1044 FBO Boron monofluoride monoxide fbo  
1045 BeF2 Beryllium fluoride bef2  
1046 MgF2 Magnesium fluoride mgf2  
1047 BeCl2 Beryllium chloride becl2  
1048 MgCl2 Magnesium dichloride mgcl2  
1049 CaCl2 Calcium Chloride cacl2  
1050 ZnCl2 Zinc dichloride zncl2  
1051 BeBr2 Beryllium bromide bebr2  
1052 CaBr2 Calcium dibromide cabr2  
1053 CaF2 Calcium difluoride caf2  
1054 FCO Carbonyl fluoride fco  
1055 FCO+ Carbonyl fluoride cation fco+  
1056 ClCO carbonyl monochloride clco  
1057 BF2 Boron difluoride radical bf2  
1058 FNO Nitrosyl fluoride fno  
1059 ClNO Nitrosyl chloride clno  
1060 OPCl Phosphorus oxychloride opcl  
1061 BrNO Nitrosyl bromide brno  
1062 INO Nitrosyl iodide ino  
1063 CF2 Difluoromethylene cf2  
1064 CF2- Difluoromethylene anion cf2-  
1065 CF2+ Difluoromethylene cation cf2+  
1066 CFCl chlorofluoromethylene cfcl  
1067 SiF2 Silicon difluoride sif2  
1068 SiF2+ Silicon difluoride cation sif2+  
1069 CCl2 dichloromethylene ccl2  
1070 CCl2- dichloromethylene anion ccl2-  
1071 CCl2+ dichloromethylene cation ccl2+  
1072 SiCl2 Dichlorosilylene sicl2  
1073 GeF2 Germanium difluoride gef2  
1074 GeCl2 Germanium dichloride gecl2  
1075 CBr2 dibromomethylene cbr2  
1076 FOO Dioxygen monofluoride radical foo  
1077 FOO+ Fluorine dioxide cation foo+  
1078 ClOO chloroperoxy radical cloo  
1079 ClOO+ chloroperoxy cation cloo+  
1080 OClO- Chlorine dioxide anion oclo-  
1081 OClO+ Chlorine dioxide cation oclo+  
1082 ClS2 Sulfur chloride cls2  
1083 BrOO Bromine dioxide broo  
1084 OBrO Bromine dioxide radical obro  
1085 NF2 Difluoroamino radical nf2  
1086 NF2+ Difluoroamino cation nf2+  
1087 PF2 Phosphorus difluoride pf2  
1088 PF2+ Phosphorus difluoride cation pf2+  
1089 F2O Difluorine monoxide f2o  
1090 SF2 sulfur difluoride sf2  
1091 SF2- sulfur difluoride anion sf2-  
1092 SF2+ sulfur difluoride cation sf2+  
1093 Cl2O Dichlorine monoxide cl2o  
1094 SCl2 Sulfur dichloride scl2  
1095 SeF2 Selenium difluoride sef2  
1096 BrOCl Bromine hypochlorite brocl  
1097 SeCl2 Selenium Dichloride secl2  
1098 SBr2 Sulfur dibromide sbr2  
1099 SeBr2 Selenium dibromide sebr2  
1100 BrOBr Bromine oxide brobr  
1101 F3- trifluoride anion f3-  
1102 Cl3- trichloride anion cl3-  
1103 Br3- tribromide anion br3-  
1104 I3- triiodide i3-  
1105 SFCl Sulfur chloride fluoride sfcl  
1106 HCCF Fluoroacetylene hccf  
1107 HCCF+ fluoroacetylene cation hccf+  
1108 HCCCl Chloroacetylene hcccl  
1109 HCCBr bromoacetylene hccbr  
1110 HFCO formyl fluoride hfco  
1111 HFCO+ formyl fluoride cation hfco+  
1112 COHCl Formyl chloride cohcl  
1113 COHBr Formyl bromide cohbr  
1114 BHF2 Difluoroborane bhf2  
1115 BHCl2 Borane, dichloro- bhcl2  
1116 CHCl2 dichloromethyl radical chcl2  
1117 CHF2 difluoromethyl radical chf2  
1118 CHF2+ difluoromethyl cation chf2+  
1119 CHFCl Chlorofluoromethyl radical chfcl  
1120 CHFCl+ Chlorofluoromethyl cation chfcl+  
1121 CHCl2+ dichloromethyl cation chcl2+  
1122 CHBr2 dibromomethyl radical chbr2  
1123 HOClO Chlorous acid hoclo  
1124 NHF2 difluoramine nhf2  
1125 NHCl2 dichloroamine nhcl2  
1126 CH2F2 Methane, difluoro- ch2f2  
1127 CH2FCl fluorochloromethane ch2fcl  
1128 SiH2F2 difluorosilane sih2f2  
1129 CH2Cl2 Methylene chloride ch2cl2  
1130 CH2BrF Methane, bromofluoro- ch2fbr  
1131 CH2BrCl Methane, bromochloro- ch2clbr  
1132 CH2FI fluoroiodomethane ch2fi  
1133 CH2Br2 dibromomethane ch2br2  
1134 CH2ClI chloroiodomethane ch2cli  
1135 CH2BrI bromoiodomethane ch2bri  
1136 CH2I2 Diiodomethane ch2i2  
1137 SiH2Cl2 dichlorosilane sih2cl2  
1138 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1139 CH2CHF Ethene, fluoro- ch2chf  
1140 CH2CHF+ fluoroethene cation ch2chf+  
1141 C2H3Cl Ethene, chloro- ch2chcl  
1142 C2H3Br vinyl bromide c2h3br  
1143 C2H3I Vinyl iodide c2h3i  
1144 CH2FOH fluoromethanol ch2foh  
1145 CH3OCl methyl hypochlorite ch3ocl  
1146 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1147 CHClCH3 1-chloroethyl radical chclch3  
1148 C2H5F fluoroethane c2h5f  
1149 CH3CH2Cl Ethyl chloride c2h5cl  
1150 CH3SiFH2 fluoromethylsilane ch3sifh2  
1151 C2H5Br Ethyl bromide etbr  
1152 C2H5I Ethyl iodide c2h5i  
1153 KrF2 Krypton difluoride krf2  
1154 XeF2 Xenon difluoride xef2  
1155 B4H10 Tetraborane(10) b4h10  
1156 C4 Carbon tetramer c4  
1157 C4+ Carbon tetramer cation c4+  
1158 C4H2 Diacetylene c4h2  
1159 C4H2+ diacetlyene cation c4h2+  
1160 C2H3CCH 1-Buten-3-yne c2h3cch  
1161 C4H4 cyclobutadiene cbd  
1162 C4H4 Tetrahedrane c4h4  
1163 H2CCCCH2 Butatriene h2cccch2  
1164 C4H6 1-Methylcyclopropene c3100047  
1165 C4H6 Cyclobutene c822355  
1166 C4H6 Methylenecyclopropane c6142730  
1167 CH2CCHCH3 1,2-Butadiene butad12  
1168 CH2CHCHCH2 1,3-Butadiene c106990  
1169 CH3CCCH3 2-Butyne c503173  
1170 CHCCH2CH3 1-Butyne c107006  
1171 CH3CHCHCH2 methylallyl radical c4h7  
1172 C4H8 methylcyclopropane mcp  
1173 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1174 CH2CHCH2CH3 1-Butene bute1  
1175 CH3CHCHCH3 2-Butene, (E)- bute2e  
1176 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1177 B(CH3)3 trimethylborane bme3  
1178 Al(CH3)3 trimethyl aluminum tma  
1179 C(CH3)3 Tert-butyl radical tbutyl  
1180 CH2CH(CH3)2 Isobutyl radical isobutyl  
1181 CH3CHCH2CH3 2-Butyl radical butyl2  
1182 CH3CH(CH3)CH3 Isobutane isobutane  
1183 CH3CH2CH2CH3 Butane butane  
1184 SiH(CH3)3 trimethylsilane trimsi  
1185 Li3N trilithium nitride li3n  
1186 C2N2 Cyanogen c2n2  
1187 C2N2+ Cyanogen cation c2n2+  
1188 P4 Phosphorus tetramer p4  
1189 As4 Arsenic tetramer as4  
1190 HCCCN Cyanoacetylene hcccn  
1191 HCCCN+ Cyanoacetylene cation hcccn+  
1192 H2CNCN cyanamide, methylene ch2ncn  
1193 HNCCNH Ethenediimine hnccnh  
1194 C3H3N acrylonitrile ch2chcn  
1195 C3H3N+ acrylonitrile cation ch2chcn+  
1196 CH3N3 methyl azide ch3n3  
1197 NH2CCNH2 Diaminoacetylene daa  
1198 NH2CH2CN Aminoacetonitrile aan  
1199 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1200 C2H5CN ethyl cyanide c2h5cn  
1201 CH5N3 Guanidine guanidine  
1202 C4H6 Bicyclo[1.1.0]butane c157335  
1203 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1204 H2NCHCHNH2 diaminoethylene dae  
1205 CH6N3+ guanidinium ch6n3+  
1206 C3H7N Cyclopropylamine cpram  
1207 CH7N3 triaminomethane tam  
1208 C3H7N Azetidine azet  
1209 C4H8 cyclobutane cbutane  
1210 C2H8N2 Ethylenediamine ethdiam  
1211 CH3NHNHCH3 dimethyl hydrazine dmh  
1212 CH3CH(NH2)CH3 2-Propanamine pram2  
1213 N(CH3)3 Trimethylamine trimeam  
1214 NH2CH2CH2CH3 1-Propanamine pram1  
1215 P(CH3)3 trimethylphosphine tmp  
1216 N(SiH3)3 trisilylamine tsa  
1217 As(CH3)3 trimethyl arsine tmas  
1218 (CH3)3NH+ protonated trimethyl amine ptma  
1219 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1220 Li2O2 dilithium dioxide li2o2  
1221 Na2O2 disodium dioxide na2o2  
1222 K2O2 dipotassium dioxide k2o2  
1223 C3O Tricarbon monoxide c3o  
1224 B2O2 Diboron dioxide b2o2  
1225 ONNO NO dimer onno  
1226 CO3 Carbon trioxide co3  
1227 CO3-- carbonate co3--  
1228 CS3-- Carbonotrithioate cs3--  
1229 NO3 Nitrogen trioxide no3  
1230 NO3- nitrate anion no3-  
1231 NO3+ nitrogen trioxide cation no3+  
1232 SO3 Sulfur trioxide so3  
1233 SO3- Sulfur trioxide anion so3-  
1234 SO3-- Sulfate dianion so3--  
1235 SO3+ Sulfur trioxide cation so3+  
1236 SeO3 selenium trioxide seo3  
1237 S4 Sulfur tetramer s4  
1238 TeO3 Tellurium trioxide teo3  
1239 HCO3- bicarbonate anion hco3-  
1240 HNO3 Nitric acid hno3  
1241 HSO3 Hydroxysulfonyl radical hso3  
1242 NH2NO2 nitramide nh2no2  
1243 C2H2CO cyclopropenone c2h2co  
1244 C3H2O Propadienal c3h2o  
1245 HCCCHO 2-propynal hcccho  
1246 C2H2O2 Ethanedial c2h2o2  
1247 C2H2O2+ Ethanedial cation c2h2o2+  
1248 H2CO3 Carbonic acid h2co3  
1249 H2CS3 thiocarbonic acid h2cs3  
1250 H2NO3+ Nitric Acid, Protonated h2no3+  
1251 H2SO3 Sulfurous acid h2so3  
1252 C2H3NO Nitrosoethylene c2h3no  
1253 CH3NCO methylisocyante ch3nco  
1254 HOCH2CN cyanomethanol hoch2cn  
1255 CH3COO- acetate anion ch3coo-  
1256 CH3NO2 Methane, nitro- ch3no2  
1257 CH3ONO Methyl nitrite ch3ono  
1258 NH2COOH Carbamic acid nh2cooh  
1259 H3BO3 Boric acid h3bo3  
1260 H3AlO3 Aluminum hydroxide h3alo3  
1261 H3CO3+ carbonic acid, protonated h3co3+  
1262 C3H4O 2-Propyn-1-ol c107197  
1263 C3H4O allenol c9000071  
1264 C3H4O Cyclopropanone cpone  
1265 C3H4O Methylketene c6004440  
1266 CH2CHCHO Acrolein c3h4o  
1267 NH2CONH2 Urea urea  
1268 NH2CONH2+ Urea cation urea+  
1269 NH2CSNH2 Thiourea thiourea  
1270 C2H4O2 1,3-dioxetane c2h4o2  
1271 CH3COOH Acetic acid ch3cooh  
1272 CH3OCHO methyl formate ch3ocho  
1273 CHOCH2OH hydroxy acetaldehyde haa  
1274 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1275 NH3COOH+ protonated Carbamic acid nh3cooh+  
1276 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1277 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1278 HCOOHH2O Formic acid water dimer hcoohh2o  
1279 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1280 CH3COCH2 Acetonyl radical ch3coch2  
1281 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1282 CH3C(OH)=NH Ethaninidic acid eia  
1283 CH3CHNOH Acetaldoxime acetaldoxime  
1284 CH3CONH2 Acetamide acetamide  
1285 HCONHCH3 N-methylformamide nmfa  
1286 CH3CSNH2 Ethanethioamide ch3csnh2  
1287 CH5N2O+ urea, N-protonated ch4n2o+  
1288 H2NCOHNH2+ urea, protonated ureah+  
1289 C2H5OO ethylperoxy radical c2h5oo  
1290 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1291 C3H5OH Cyclopropanol cproh  
1292 C3H6O 2-Propen-1-ol c107186  
1293 C3H6O Acetone enol enol  
1294 C3H6O Oxetane oxetane  
1295 C3H6O Propylene oxide prox  
1296 CH3CH2CHO Propanal propanal  
1297 CH3COCH3 Acetone acetone  
1298 CH3COCH3- acetone anion ch3coch3-  
1299 C3H6S Thietane thietane  
1300 C3H6S Thiirane, methyl- methiirane  
1301 CH3CSCH3 Thioacetone ch3csch3  
1302 C2H6O2 1,2-Ethanediol ethdiol  
1303 CH3OOCH3 dimethylperoxide dmp  
1304 CH3SOCH3 Dimethyl sulfoxide dmso  
1305 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1306 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1307 CH3COHCH3+ acetone, protonated acetoneh+  
1308 HOCH2CH2NH2 monoethanolamine mea  
1309 C3H7OH 1-Propanol proh  
1310 CH3CHOHCH3 Isopropyl alcohol isoproh  
1311 CH3OC2H5 Ethane, methoxy- etome  
1312 C3H7SH 1-Propanethiol prsh  
1313 CH3CHSHCH3 2-Propanethiol isoprsh  
1314 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1315 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1316 Li2F2 Lithium fluoride dimer li2f2  
1317 Na2F2 Sodium Fluoride Dimer na2f2  
1318 Na2Cl2 Disodium dichloride na2cl2  
1319 C2F2 difluoroacetylene c2f2  
1320 C2Cl2 dichloroacetylene c2cl2  
1321 C2Cl2+ dichloroacetylene cation c2cl2+  
1322 FNO2 Nitryl fluoride fno2  
1323 FONO Nitrosyl hypofluorite fono  
1324 ClNO2 Nitryl chloride clno2  
1325 ClONO chlorine nitrite clono  
1326 BrONO Bromine nitrite brono  
1327 N2F2 (Z)-Difluorodiazene n2f2_z  
1328 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1329 CF2O Carbonic difluoride f2co  
1330 CF2O+ Carbonic difluoride cation f2co+  
1331 COFCl Carbonic chloride fluoride cofcl  
1332 CCl2O Phosgene cl2co  
1333 Cl2CS Thiophosgene cl2cs  
1334 COBr2 Carbonic dibromide cobr2  
1335 BF3- Borane, trifluoro- anion bf3-  
1336 BF3+ boron trifluoride cation bf3+  
1337 BClF2 Chlorodifluoroborane bclf2  
1338 AlF2Cl Aluminum chloride difluoride alclf2  
1339 ScF3 Scandium trifluoride ScF3  
1340 AlFCl2 Aluminum dichloride fluoride alcl2f  
1341 BCl3 Borane, trichloro- bcl3  
1342 BCl3+ Boron Trichloride cation bcl3+  
1343 GaF3 Gallium trifluoride gaf3  
1344 AlCl3 Aluminum trichloride alcl3  
1345 GaCl3 Gallium trichloride gacl3  
1346 BBr3 Boron tribromide bbr3  
1347 AlBr3 Aluminum Bromide albr3  
1348 ClO3 Chlorine trioxide clo3  
1349 ClO3- chlorate anion clo3-  
1350 BrO3- Bromate anion bro3-  
1351 CF3 Trifluoromethyl radical cf3  
1352 CF3- Trifluoromethyl anion cf3-  
1353 CF3+ Trifluoromethyl cation cf3+  
1354 CF2Cl difluorochloromethyl radical cf2cl  
1355 SiF3 Silicon trifluoride radical sif3  
1356 SiF3+ Silicon trifluoride cation sif3+  
1357 CFCl2 dichlorofluoromethyl radical cfcl2  
1358 CCl3 Trichloromethyl radical ccl3  
1359 CCl3- Trichloromethyl anion ccl3-  
1360 CCl3+ Trichloromethyl cation ccl3+  
1361 SiCl3 trichlorosilyl radical sicl3  
1362 SiCl3+ trichlorosilyl cation sicl3+  
1363 CBr3 tribromomethyl radical cbr3  
1364 FOOF Perfluoroperoxide foof  
1365 F2SO Thionyl Fluoride f2so  
1366 ClOOCl Dichlorine dioxide cloocl  
1367 FSSF Difluorodisulfane fssf  
1368 S2F2 Thio-thionyl fluoride s2f2  
1369 SOCl2 thionyl chloride socl2  
1370 SSCl2 Thiothionyl chloride sscl2  
1371 SeOCl2 selenium oxychloride seocl2  
1372 NF3 Nitrogen trifluoride nf3  
1373 NF3- Nitrogen trifluoride anion nf3-  
1374 NF3+ Nitrogen trifluoride cation nf3+  
1375 PF3 Phosphorus trifluoride pf3  
1376 NCl3 nitrogen trichloride ncl3  
1377 AsF3 Arsenic trifluoride asf3  
1378 PCl3 Phosphorus trichloride pcl3  
1379 SbF3 Antimony Trifluoride sbf3  
1380 AsCl3 Arsenous trichloride ascl3  
1381 SbCl3 Antimony Trichloride sbcl3  
1382 NBr3 Nitrogen Tribromide nbr3  
1383 PBr3 Phosphorus tribromide pbr3  
1384 AsBr3 Arsenic tribromide asbr3  
1385 NI3 Nitrogen triiodide ni3  
1386 PI3 Phosphorus triiodide pi3  
1387 ClSSCl Disulfur dichloride s2cl2  
1388 SF3 Sulfur trifluoride sf3  
1389 ClF3 Chlorine trifluoride clf3  
1390 BrF3 Bromine trifluoride brf3  
1391 IF3 iodone trifluoride if3  
1392 HClO3 Chloric Acid hclo3  
1393 CHF3 Methane, trifluoro- chf3  
1394 CHF2Cl difluorochloromethane chf2cl  
1395 SiHF3 trifluorosilane sihf3  
1396 CHFCl2 fluorodichloromethane chfcl2  
1397 CDCl3 trichloromethane-d cdcl3  
1398 CHCl3 Chloroform chcl3  
1399 CHBrF2 Methane, bromodifluoro- chbrf2  
1400 SiHCl3 Trichlorosilane sihcl3  
1401 CHFClBr fluorochlorobromomethane chfclbr  
1402 CHBrCl2 Methane, bromodichloro- chbrcl2  
1403 CHF2I difluoroiodomethane chf2i  
1404 CHBr2F dibromofluoromethane chbr2f  
1405 CHFClI fluorochloroiodomethane chfcli  
1406 CHCl2I dichloroiodomethane chcl2i  
1407 CHClBr2 Methane, dibromochloro- chclbr2  
1408 CHBr3 bromoform chbr3  
1409 CHI3 Iodoform chi3  
1410 NF3H+ protonated nitrogen trifluoride nf3h+  
1411 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1412 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1413 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1414 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1415 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1416 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1417 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1418 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1419 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1420 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1421 C2H2Br2 1,1-dibromoethene c2h2br2  
1422 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1423 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1424 CH2FCHO Fluoroacetaldehyde ch2fcho  
1425 CH3COF Acetyl fluoride ch3cof  
1426 CH2ClCHO chloroacetaldehyde ch2clcho  
1427 CH3COCl Acetyl Chloride ch3cocl  
1428 C2H4F2 1,2-difluoroethane c2h4f2  
1429 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1430 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1431 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1432 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1433 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1434 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1435 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1436 CH2CFCH3 2-fluoropropene 2fpro  
1437 CH2CHCH2F Allyl Fluoride allylf  
1438 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1439 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1440 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1441 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1442 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1443 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1444 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1445 CH2FCH2CH3 1-Fluoropropane prf1  
1446 CH3CHFCH3 2-Fluoropropane prf2  
1447 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1448 CH3CHClCH3 Propane, 2-chloro- prcl2  
1449 CH3CH2CH2Br n-propyl bromide prbr  
1450 CH3CHBrCH3 i-propyl bromide iprbr  
1451 C3H9O+ trimethyl oxonium cation c3h9o+  
1452 B5H9 pentaborane9 b5h9  
1453 C5H4 pentatetraene ptrene  
1454 C5H5 cyclopentadienyl radical c5h5  
1455 C5H5- cylopentadienyl anion c5h5-  
1456 C5H6 1,3-Cyclopentadiene c542927  
1457 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1458 C5H6 3-Penten-1-yne, (E)- c2004695  
1459 C5H6 3-Penten-1-yne, (Z)- c1574409  
1460 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1461 C5H6 Cyclopropylacetylene c6746947  
1462 C5H6 Propellane propellane  
1463 C5H7 1,3-pentadienyl radical pdyl  
1464 C5H7 cyclopentenyl radical cpyl  
1465 C5H8 1,2-Butadiene, 3-methyl- c598254  
1466 C5H8 1,2-Pentadiene c591957  
1467 C5H8 1,3-Butadiene, 2-methyl- c78795  
1468 C5H8 1,3-Pentadiene, (E)- c2004708  
1469 C5H8 1,3-Pentadiene, (Z)- c1574410  
1470 C5H8 1,4-Pentadiene c591935  
1471 C5H8 1-pentyne a1pentyne  
1472 C5H8 2,3-Pentadiene c591968  
1473 C5H8 Bicyclo[1.1.1]pentane bcp  
1474 C5H8 Cyclobutane, methylene- c1120565  
1475 C5H8 Cyclopentene c142290  
1476 C5H8 Ethenylcyclopropane c693867  
1477 CH3CCCH2CH3 2-Pentyne 2pentyne  
1478 C5H10 1-Butene, 2-methyl- c563462  
1479 C5H10 2-Butene, 2-methyl- c513359  
1480 C5H10 2-Pentene, (E)- c646048  
1481 C5H10 2-Pentene, (Z)- c627203  
1482 C5H10 Cyclopentane c287923  
1483 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1484 CH2CHCH2CH2CH3 1-pentene pentene  
1485 C5H11 2-Methylbut-2-yl radical c4348350  
1486 C5H12 Butane, 2-methyl- buta2  
1487 C5H12 Pentane pentane  
1488 C5H12 Propane, 2,2-dimethyl- neopentane  
1489 Si(CH3)4 tetramethylsilane tms  
1490 N2O3 Dinitrogen trioxide n2o3  
1491 C3H2N2 Malononitrile c3h2n2  
1492 CH2N4 1H-Tetrazole 1htz  
1493 C3H3N2 imidazolyl radical im  
1494 C3H3N2- imidizolyl anion im-  
1495 C2H3N3 1H-1,2,4-Triazole c288880  
1496 C4H4N pyrrolide radical c4h4n  
1497 C4H4N- pyrrolide anion c4h4n-  
1498 C3H4N2 1H-Imidazole 1himidaz  
1499 C3H4N2 1H-Pyrazole 1hpyraz  
1500 C3H4N2 2H-Imidazole imid2h  
1501 C3H4N2 4H-Imidazole imid4h  
1502 C4H5N (E)-2-Butenenitrile c627269  
1503 C4H5N (Z)-2-Butenenitrile c1190767  
1504 C4H5N 2H-pyrrole pyrrole2  
1505 C4H5N 3H-pyrrole pyrrole3  
1506 C4H5N Cyclopropanecarbonitrile c5500210  
1507 C4H5N Pyrrole pyrrole  
1508 CH2CHCH2CN Allylcyanide ch2chch2cn  
1509 C4H6N+ pyrrole, alpha-protonated appyr  
1510 C4H6N+ pyrrole, beta-protonated bppyr  
1511 C4H6N+ pyrrole, protonated ppyr  
1512 C3H6N2 3-Aminopropionitrile c151188  
1513 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1514 CH3CH2CH2CN Butanenitrile c109740  
1515 C5H8 Bicyclo[2.1.0]pentane c185944  
1516 C5H8 Spiropentane c157404  
1517 C4H9N Cyclobutylamine cbam  
1518 C4H9N Pyrrolidine pyrrolidine  
1519 C3H10N2 1,2-Diaminopropane diampr12  
1520 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1521 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1522 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1523 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1524 NH(C2H5)2 diethylamine dea  
1525 NC4H12+ tetramethyl ammonium cation nc4h12+  
1526 C3O2 Carbon suboxide c3o2  
1527 C3O2+ Carbon suboxide cation c3o2+  
1528 B2O3 diboron trioxide b2o3  
1529 MgCO3 Magnesium Carbonate mgco3  
1530 BeCO3 Beryllium Carbonate beco3  
1531 CaCO3 Calcium Carbonate caco3  
1532 ONONO Nitrosyl nitrite onono  
1533 PO4--- phosphate po4---  
1534 SO4-- sulfate so4--  
1535 HOONO2 peroxy nitric acid hoono2  
1536 HSO4- bisulfate anion hso4-  
1537 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1538 C3H2O2 Propiolic acid c3h2o2  
1539 CHOCOOH oxo acetic acid oaa  
1540 CHOOCHO diformyl ether choocho  
1541 H2SO4 Sulfuric acid h2so4  
1542 H2SeO4 Selenic acid h2seo4  
1543 C3H3NO Isoxazole isox  
1544 C3H3NO Oxazole oxazole  
1545 C3H3NS Thiazole thiazole  
1546 CH3C(O)OO acetyl peroxy radical ch3coo2  
1547 CH3NO3 Methyl nitrate ch3no3  
1548 H3PO4 Phosphoric Acid h3po4  
1549 C4H4O Furan furan  
1550 C4H4O+ Furan cation furan+  
1551 CH3COCCH 3-butyn-2-one c1423605  
1552 C4H4S Thiophene furans  
1553 C4H4Se selenophene c4h4se  
1554 C3H4O2 β–Propiolactone beta  
1555 C3H4O2 2-Propenoic acid propenoic2  
1556 C3H4O2 Methyl glyoxal megly  
1557 C3H4O2 propanedial propanedial  
1558 C3H4O2 propenalol propenalol  
1559 HOCHCCHOH allenediol aldiol  
1560 C2H4O3 1,2,3-trioxolane c2h4o3  
1561 C2H4O3 trioxolane124 triox  
1562 HOCH2COOH Hydroxyacetic acid hac  
1563 CH2CHCONH2 Acrylamide c79061  
1564 CH3OCH2CN Methoxyacetonitrile c1738369  
1565 CH5N3S Hydrazinecarbothioamide c79196  
1566 H2NCH2COOH Glycine glycine  
1567 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1568 C4H6O cis-2-butenal butenal2c  
1569 C4H6O Cyclobutanone cbutone  
1570 C4H6O Furan, 2,3-dihydro- furan23h  
1571 C4H6O Furan, 2,5-dihydro- furan25h  
1572 CH2CHOCHCH2 Vinyl ether vinylether  
1573 CHOCHCHCH3 2-Butenal butenal2  
1574 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1575 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1576 CH2CHSCHCH2 Divinyl sulfide divis  
1577 C2H6N2O Urea, methyl- c598505  
1578 C3H6O2 1,3-Dioxolane dioxolane  
1579 CH3CH2COOH Propanoic Acid propanoic  
1580 CH3COOCH3 methyl acetate aame  
1581 HCOOC2H5 Ethyl formate faee  
1582 C2H6O2S Dimethyl sulfone c67710  
1583 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1584 C3H7NO dimethylformamide dmf  
1585 C3H7NO Propanamide propanam  
1586 C2H3OC2H5 Ethene, ethoxy- c109922  
1587 C4H8O Cyclobutanol c2919235  
1588 C4H8O Furan, tetrahydro- thf  
1589 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1590 CH3COCH2CH3 2-Butanone buta2one  
1591 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1592 CHOCH2CH2CH3 Butanal butanal  
1593 C4H8S Thiophene, tetrahydro- tht  
1594 C3H8O2 1,3-Propanediol c504632  
1595 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1596 C3H8O2 Methane, dimethoxy- c109875  
1597 C3H8O2 Propylene glycol c57556  
1598 C3H8S2 1,3-Propanedithiol c109808  
1599 C4H10O 1-Butanol butanol1  
1600 C4H10O 1-Propanol, 2-methyl- c78831  
1601 C4H10O 2-Butanol, (.+/-.)- butanol2  
1602 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1603 C4H10O Ethoxy ethane etoet  
1604 C4H10O Methyl propyl ether meopr  
1605 C4H10O Propane, 2-methoxy- c598538  
1606 C4H10O+ 1-Butanol cation butanol1+  
1607 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1608 C2H5SC2H5 Diethyl sulfide etset  
1609 C4H9SH 1-Butanethiol bush  
1610 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1611 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1612 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1613 FNO3 Fluorine nitrate fno3  
1614 ClONO2 Chlorine nitrate clono2  
1615 BrONO2 Bromine nitrate brono2  
1616 TiCl4 Titanium tetrachloride ticl4  
1617 ClO4- perchlorate anion clo4-  
1618 BF4- tetrafluoroboron anion bf4-  
1619 ClFO3 Perchloryl fluoride clfo3  
1620 SO2F2 Sulfuryl fluoride so2f2  
1621 SO2Cl2 Sulfuryl chloride so2cl2  
1622 F3NO Nitrogen trifluoride oxide f3no  
1623 F3PO Phosphoryl fluoride pf3o  
1624 Cl3PO Phosphoryl chloride pcl3o  
1625 CF4 Carbon tetrafluoride cf4  
1626 CF3Cl Methane, chlorotrifluoro- cf3cl  
1627 SiF4 Silicon tetrafluoride sif4  
1628 CF2Cl2 difluorodichloromethane cf2cl2  
1629 TiF4 Titanium tetrafluoride tif4  
1630 CFCl3 Trichloromonofluoromethane cfcl3  
1631 CF3Br Bromotrifluoromethane cf3br  
1632 GeF4 Germanium tetrafluoride gef4  
1633 CCl4 Carbon tetrachloride ccl4  
1634 CCl4+ Carbon tetrachloride cation ccl4+  
1635 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1636 SiCl4 Silane, tetrachloro- sicl4  
1637 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1638 CF3I trifluoroiodomethane cf3i  
1639 CBrCl3 Methane, bromotrichloro- cbrcl3  
1640 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1641 GeCl4 Germanium Tetrachloride gecl4  
1642 CBr2ClF dibromochlorofluoromethane cbr2clf  
1643 CBr2Cl2 dibromodichloromethane cbr2cl2  
1644 CCl3I trichloroiodomethane ccl3i  
1645 CFBr3 fluorotribromomethane cfbr3  
1646 CFClBrI fluorochlorobromoiodomethane cfclbri  
1647 CBr3Cl tribromochloromethane cbr3cl  
1648 CF2I2 difluorodiiodomethane cf2i2  
1649 CBr4 Carbon tetrabromide cbr4  
1650 CCl2I2 dichlorodiiodomethane ccl2i2  
1651 SiBr4 Silicon tetrabromide sibr4  
1652 CBr3I tribromoiododmethane cbr3i  
1653 GeBr4 Germanium tetrabromide gebr4  
1654 CI4 tetraiodomethane ci4  
1655 SiI4 silicon tetraiodide sii4  
1656 ClOF3 Chlorine trifluoride oxide clof3  
1657 SF4 Sulfur tetrafluoride sf4  
1658 SeF4 Selenium tetrafluoride sef4  
1659 SCl4 Sulfur tetrachloride scl4  
1660 C2HF3 Trifluoroethylene c2hf3  
1661 C2HF3+ Trifluoroethylene cation c2hf3+  
1662 CHClCCl2 Trichloroethylene chclccl2  
1663 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1664 HSO3F Fluorosulfonic acid hso3f  
1665 CF3OH trifluoromethanol cf3oh  
1666 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1667 CHClCCHCl 1,3-dichloroallene chclcchcl  
1668 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1669 CHCl2CHO dichloroacetaldehyde chcl2cho  
1670 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1671 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1672 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1673 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1674 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1675 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1676 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1677 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1678 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1679 NH3BCl3 Amminetrichloroboron nh3bcl3  
1680 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1681 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1682 C3H5ClO Oxirane, (chloromethyl)- c106898  
1683 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1684 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1685 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1686 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1687 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1688 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1689 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1690 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1691 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1692 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1693 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1694 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1695 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1696 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1697 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1698 C4H9F 1-fluorobutane butaf1  
1699 CH3CHFCH2CH3 2-fluorobutane butaf2  
1700 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1701 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1702 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1703 XeF4 Xenon tetrafluoride xef4  
1704 C2H2N2O Furazan furazan  
1705 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1706 NH3BF3 Amminetrifluoroboron nh3bf3  
1707 C6H2 hexatriyne c6h2  
1708 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1709 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1710 C6H4 Benzyne benzyne  
1711 C6H5 phenyl phenyl  
1712 C6H5- phenyl anion phenyl-  
1713 C6H6 Prismane prismane  
1714 C6H6 1,2,4,5-Hexatetraene ht1245  
1715 C6H6 2,4-Hexadiyne hexadiyne  
1716 C6H6 3,4-Dimethylenecyclobutene cb34m  
1717 C6H6 Benzene benzene  
1718 C6H6 Benzvalene bv  
1719 C6H6 Dewar Benzene dewar  
1720 C6H6 Hexa-1,5-diene-3-yne hdy153  
1721 C6H6 Trimethylenecycopropane tmcp  
1722 C6H6+ Benzene cation c6h6+  
1723 C6H7+ benzene, protonated c6h7+  
1724 C6H8 (E)-hexa-1,3,5-triene c821078  
1725 C6H8 (E)-hexa-2,3,4-triene c59660650  
1726 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1727 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1728 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1729 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1730 C6H8 3-Methylenecyclopentene c930267  
1731 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1732 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1733 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1734 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1735 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1736 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1737 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1738 C6H10 1,5-Hexadiene c592427  
1739 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1740 C6H10 1-Hexyne hexyne1  
1741 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1742 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1743 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1744 C6H10 2-Hexyne c764352  
1745 C6H10 3-Hexyne hexyne3  
1746 C6H10 cyclohexene cyclohexene  
1747 C6H10 Cyclopentene, 1-methyl- c693890  
1748 C6H10 Cyclopentene, 3-methyl- c1120623  
1749 C6H10 Cyclopentene, 4-methyl- c1759815  
1750 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1751 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1752 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1753 C6H12 (E)-2-Hexene e2hexene  
1754 C6H12 (E)-3-methylpent-2-ene c616126  
1755 C6H12 (E)-hex-3-ene e3hexene  
1756 C6H12 (Z)-3-methylpent-2-ene c922623  
1757 C6H12 (Z)-hex-2-ene z2hexene  
1758 C6H12 (Z)-hex-3-ene z3hexene  
1759 C6H12 2,3-dimethylbut-1-ene c563780  
1760 C6H12 2,3-dimethyl-but-2-ene tmeet  
1761 C6H12 3-methylenepentane c760214  
1762 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1763 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1764 C6H12 Cyclohexane cyclohexane  
1765 C6H12 Cyclopentane, methyl- c96377  
1766 C6H12 Ethylcyclobutane c4806615  
1767 C6H12 hex-1-ene hexene1  
1768 C6H14 Butane, 2,2-dimethyl- buta22  
1769 C6H14 Butane, 2,3-dimethyl- buta23  
1770 C6H14 Hexane hexane  
1771 C6H14 Pentane, 2-methyl- penta2  
1772 C6H14 Pentane, 3-methyl- penta3  
1773 C4N2 2-Butynedinitrile c4n2  
1774 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1775 C4H2N2 Fumaronitrile c4h2n2  
1776 C2H2N4 sym-tetrazine ttz  
1777 C3H3N3 1,3,5-Triazine triazine135  
1778 CH3N5 5-Aminotetrazole c4418615  
1779 C4H4N2 1,3-Diazine diazine13  
1780 C4H4N2 Pyrazine pyrazine  
1781 C4H4N2 Pyridazine pyridazine  
1782 C4H4N2 Succinonitrile c110612  
1783 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1784 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1785 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1786 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1787 C5H5N E-2,4-pentadienenitrile bdcn  
1788 C5H5N Pyridine pyridine  
1789 B3N3H6 borazine borazine  
1790 C6H6 Fulvene fulvene  
1791 C5H6N+ Pyridinium c5h6n  
1792 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1793 C5H7N (E)-2-Pentenenitrile c26294984  
1794 C5H7N (E)-3-Pentenenitrile c16529661  
1795 C5H7N (Z)-2-Pentenenitrile c25899507  
1796 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1797 C5H7N Cyclobutanecarbonitrile c4426113  
1798 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1799 C5H9N Butanenitrile, 2-methyl- c18936179  
1800 C5H9N Pentanenitrile c110598  
1801 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1802 C6H10 Bicyclo[3.1.0]hexane c285585  
1803 C5H11N Cyclopentanamine cypentam  
1804 C5H11N Piperidine piper  
1805 C4H12N2 1,2-Butanediamine c4426486  
1806 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1807 Li2CO3 Lithium Carbonate li2co3  
1808 Na2CO3 Sodium Carbonate na2co3  
1809 C2O4-- oxalate anion c2o4  
1810 MgSO4 Magnesium Sulfate mgso4  
1811 N2O4 Dinitrogen tetroxide n2o4  
1812 C3H2O3 vinylene carbonate vica  
1813 C2H2O4 Oxalic Acid oxalic  
1814 C2H3NO3 Oxamic acid oxamic  
1815 C4H4O2 2(5H)-Furanone furanone  
1816 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1817 C2H4N2O2 Oxalamide oxalamide  
1818 C2H4N2S2 Ethanedithioamide c79403  
1819 C2H4CO3 Ethylene carbonate etco3  
1820 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1821 C3H4S3 1,3-Dithiolane-2-thione c822388  
1822 C2H4O4 Formic acid dimer fadimer  
1823 C4H5NO 3-Methylisoxazole isox3m  
1824 C4H5NO Isoxazole, 5-methyl- c5765446  
1825 C4H5NS 4-Methylthiazole c693958  
1826 C2H5NO3 Nitric acid, ethyl ester c625581  
1827 C5H6O 2H-Pyran pyran2  
1828 C5H6O 2-methylfuran furan2m  
1829 C5H6O 3-Methylfuran furan3m  
1830 C5H6O Pentadienal pdal  
1831 C5H6S Thiophene, 2-methyl- c554143  
1832 C5H6S Thiophene, 3-methyl- c616444  
1833 C4H6O2 γ–Butyrolactone c96480  
1834 C4H6O2 2,3-Butanedione c431038  
1835 C4H6O2 2-Propenoic acid, methyl ester c96333  
1836 C4H6O2 Crotonic Acid crot  
1837 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1838 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1839 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1840 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1841 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1842 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1843 C4H6OS Vinyl sulfoxide c1115157  
1844 CH6N4S Carbonothioic dihydrazide thiacarb  
1845 C2H6N2O2 (E)-Azodioxymethane c37765154  
1846 C2H6N2O2 Dimethylnitroamine c4164287  
1847 C3H6O3 1,3,5-Trioxane trioxane  
1848 C3H6S3 1,3,5-Trithiane c3h6s3  
1849 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1850 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1851 C4H7NO 2-Pyrrolidinone c616455  
1852 C4H7NO Ethoxyacetonitrile etoaccn  
1853 C4H7NO Methacrylamide c79390  
1854 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1855 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1856 C3H7ONO Propyl nitrite prono  
1857 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1858 CH3CH(NH2)COOH Alanine alanine  
1859 CH3NHCH2COOH Sarcosine sarcosine  
1860 NH2CH2CH2COOH β–alanine betaalanine  
1861 NH2COOC2H5 Urethane urethane  
1862 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1863 C5H8O Cyclopentanone c120923  
1864 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1865 C5H8O Methyl cyclopropyl ketone c765435  
1866 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1867 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1868 NH2CONHC2H5 Urea, ethyl- c625525  
1869 C4H8O2 1,3-Dioxane dioxan13  
1870 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1871 C4H8O2 1,4-Dioxane dioxan14  
1872 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1873 C4H8O2 Ethyl acetate c141786  
1874 C4H8OS s-Ethyl thioacetate c625605  
1875 C3H8O3 1,2,3-Propanetriol glycerin  
1876 C3H8O2S (Methylsulfonyl)ethane c594434  
1877 C4H9NO Butanamide c541355  
1878 C4H9NO Propanamide, 2-methyl- c563837  
1879 C5H10O 2-Butanone, 3-methyl- c563804  
1880 C5H10O 2H-Pyran, tetrahydro- c142687  
1881 C5H10O 2-methylbutyraldehyde 2meba  
1882 C5H10O 2-Pentanone mpk  
1883 C5H10O 3-Pentanone dek  
1884 C5H10O Cyclopentanol c96413  
1885 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1886 C5H10O Pentanal pal  
1887 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1888 C5H10S 3-Ethylthio-1-propene c5296628  
1889 C5H10S Cyclopentanethiol c1679078  
1890 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1891 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1892 C4H10O2 1,1-Dimethoxyethane c534156  
1893 C4H10O2 1,3-Butanediol budiol13  
1894 C4H10O2 1,4-Butanediol budiol14  
1895 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1896 C4H10OS Diethyl sulfoxide c70291  
1897 C4H10S2 1,4-Butanedithiol budisl14  
1898 C4H11NO Diethylhydroxylamine c3710847  
1899 C5H12O 1-Butanol, 2-methyl- c137326  
1900 C5H12O 1-Butanol, 3-methyl- c123513  
1901 C5H12O 1-Pentanol pentanol1  
1902 C5H12O 2-Butanol, 3-methyl- c598754  
1903 C5H12O 2-Pentanol peol2  
1904 C5H12O 3-Pentanol pentan3ol  
1905 C5H12O Butane, 1-methoxy- meobu  
1906 C5H12O Propane, 1-ethoxy- proet  
1907 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1908 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1909 C5H12S 1-Butanethiol, 3-methyl- c541311  
1910 C5H12S 1-Pentanethiol c110667  
1911 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1912 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1913 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1914 C5H12S Butane, 1-(methylthio)- c628295  
1915 C5H12S Ethyl propyl sulfide c4110503  
1916 C5H12S Propane, 2-(ethylthio)- c5145993  
1917 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1918 C4F2 difluorobutadiyne c4f2  
1919 ClCOClCO Oxalyl chloride oxcl  
1920 CF3CN Acetonitrile, trifluoro- cf3cn  
1921 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1922 B2F4 Diboron tetrafluoride b2f4  
1923 B2Cl4 Diboron tetrachloride b2cl4  
1924 C2F4 Tetrafluoroethylene c2f4  
1925 C2F4+ Tetrafluoroethylene cation c2f4+  
1926 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1927 CF2CCl2 difluorodichloroethylene cf2ccl2  
1928 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1929 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1930 C2FCl3 fluorotrichloroethene c2fcl3  
1931 C2Cl4 Tetrachloroethylene c2cl4  
1932 C2Br4 tetrabromoethene c2br4  
1933 CF3OF Trifluoromethylhypofluorite cf3of  
1934 SOF4 Sulfur tetrafluoride oxide sof4  
1935 PF5 Phosphorus pentafluoride pf5  
1936 AsF5 Arsenic pentafluoride asf5  
1937 PCl5 Phosphorus pentachloride pcl5  
1938 SF5 Sulfur pentafluoride sf5  
1939 SF5+ pentafluoro sulfur cation sf5+  
1940 SbCl5 Antimony pentachloride sbcl5  
1941 BrF5 bromine pentafluoride brf5  
1942 ClF5 chlorinepentafluoride clf5  
1943 IF5 pentafluoroiodine if5  
1944 CF3CHO trifluoroacetaldehyde cf3cho  
1945 CCl3CHO trichloroacetaldehyde ccl3cho  
1946 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1947 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1948 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1949 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1950 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1951 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1952 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1953 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1954 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1955 CF3COOH trifluoroacetic acid cf3cooh  
1956 C4H3ClO Furan, 2-chloro fur2cl  
1957 C4H3ClO Furan,3-chloro fur3cl  
1958 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1959 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1960 C4H8Cl2 1,4-Dichlorobutane c110565  
1961 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1962 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1963 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1964 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1965 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1966 C5H11Cl Pentane, 1-chloro- pencl1  
1967 C4H8O2 Butanoic acid bua  
1968 C6H5CH2 benzyl radical benzyl  
1969 C7H7 cycloheptatrienyl radical c7h7  
1970 C7H7+ cycloheptatrienyl cation c7h7+  
1971 C6H5CH3 toluene toluene  
1972 C7H8 cycloheptatriene cht  
1973 C7H8 Norbornadiene norbor  
1974 C7H8 Quadricyclane qucy  
1975 C7H12 Norbornane nor  
1976 C7H14 cycloheptane c7h14  
1977 C7H16 2-methylhexane 2mhex  
1978 C7H16 3-methylhexane hex3m  
1979 C7H16 heptane heptane  
1980 CH(CN)3 tricyanomethane mecn3  
1981 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1982 C6H7N 2-Methylpyridine mp  
1983 C6H5NH2 aniline aniline  
1984 C6H13N 2-Methylpiperidine pip2m  
1985 C6H13N cyclohexanamine cham  
1986 C6H15N triethylamine tea  
1987 N2O5 Dinitrogen pentoxide n2o5  
1988 C4H2O3 Maleic Anhydride malan  
1989 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1990 C5H4O2 furfural furfural  
1991 C6H5O phenoxy radical phenoxy  
1992 C5H5NO 2(1H)-Pyridinone c72762006  
1993 C5H5NO 2(3H)-Pyridinone c9000048  
1994 C5H5NO 2(5H)-Pyridinone c9000037  
1995 C5H5NO 2-Pyridinol c109104  
1996 C5H5NO 3(2H)-Pyridinone c9000004  
1997 C5H5NO 3(4H)-Pyridinone c9000026  
1998 C5H5NO 3(6H)-Pyridinone c9000015  
1999 C5H5NO 3-Pyridinol c109002  
2000 C5H5NO 4(1H)-Pryidinone c9000060  
2001 C5H5NO 4(3H)-Pryidinone c9000059  
2002 C5H5NO 4-Pyridinol c626642  
2003 C6H5OH phenol phenol  
2004 C6H6O 2,4-Cyclohexadienone c24599573  
2005 C6H6O 2,5-Cyclohexadienone c5664335  
2006 C6H5SH Benzenethiol phsh  
2007 HO2CCHNH2CH2OH Serine serine  
2008 C5H8O2 Acetylacetone acac  
2009 C4H8O2S Sulfolane sulfolane  
2010 C7H10 Norbornene norbornene  
2011 CH(C2H3)3 trivinyl methane tvm  
2012 C6H10O cyclohexanone chexo  
2013 C6H12O hexanal c6h12o  
2014 C6H12O Oxepane oxepane  
2015 C3H7OC3H7 di-n-propyl ether propr  
2016 F2CCCF2 tetrafluoroallene pfa  
2017 CF3COO- trifluoro acetate anion cf3coo-  
2018 CF3COF trifluoroacetyl fluoride cf3cof  
2019 CF3COCl trifluoroacetyl chloride cf3cocl  
2020 PF6 Hexafluorophosphate neutral pf6  
2021 PF6- Hexafluorophosphate ion pf6-  
2022 SF6 Sulfur Hexafluoride sf6  
2023 SeF6 Selenium hexafluoride sef6  
2024 SF5Cl sulfur chloropentafluoride sf5cl  
2025 CF3CHF2 pentafluoroethane cf3chf2  
2026 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2027 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2028 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2029 CCl3CHCl2 pentachloroethane ccl3chcl2  
2030 C6H5F Fluorobenzene bzf  
2031 C6H5Cl chlorobenzene bzcl  
2032 C6H5Br bromobenzene bzbr  
2033 C8H6 Calicene calicene  
2034 C6H5CCH phenylacetylene phac  
2035 C8H6 benzocyclobutadiene bcbd  
2036 C8H6 Pentalene pentalene  
2037 C6H5CHCH2 Styrene styrene  
2038 C8H8 cubane cubane  
2039 C8H8 cyclooctatetraene cot  
2040 C6H5CH2CH3 Ethylbenzene etbz  
2041 CH3C6H4CH3 meta-xylene mxylene  
2042 CH3C6H4CH3 paraxylene pxylene  
2043 C8H14 Bicyclo[2.2.2]octane bico222  
2044 C8H16 cyclooctane cyclooct  
2045 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2046 C8H18 Octane c8h18  
2047 C6H5CN phenyl cyanide phcn  
2048 C6H12N2 Triethylenediamine ted  
2049 C4O4-- squarate dianion c4o4--  
2050 S4N4 Tetrasulfur tetranitride s4n4  
2051 S8 Octasulfur s8  
2052 C6H4O2 parabenzoquinone pbq  
2053 C4H4N2O2 Uracil uracil  
2054 C6H5CHO benzaldehyde benzal  
2055 C6H5OCH3 Anisole anisole  
2056 C5H9NO2 Proline proline  
2057 C6H12O2 Methyl pivalate c598981  
2058 C6H12O2 Hexanoic acid hexa  
2059 C4F4 tetrafluorcyclobutadiene c4f4  
2060 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2061 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2062 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2063 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2064 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2065 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2066 C2F6 hexafluoroethane c2f6  
2067 C2Cl6 hexachloroethane c2cl6  
2068 IF7 Iodine heptafluoride if7  
2069 C6H4F2 metadifluorobenzene mdfb  
2070 C6H4F2 orthodifluorobenzene odfb  
2071 C6H4F2 1,4-difluorobenzene pdfb  
2072 C6H4Cl2 1,2-dichlorobenzene dcb12  
2073 C6H4Cl2 1,3-dichlorobenzene dcb13  
2074 C6H4Cl2 1,4-dichlorobenzene dcb14  
2075 C6H5NO nitrosobenzene bzno  
2076 C9H8 Indene indene  
2077 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2078 C9H12 n-propyl benzene prbz  
2079 C9H20 Nonane nonane  
2080 C(CN)4 tetracyanomethane c5n4  
2081 C5H4N4 purine purine  
2082 C8H7N Indole indole  
2083 C3H3N3O3 cyanuric acid cyanuric  
2084 C6H5NO2 Nitrobenzene c6h5no2  
2085 C6H5COOH benzoic acid benzo  
2086 CH3COC6H5 acetophenone acph  
2087 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2088 C3F6 hexafluoropropene c3f6  
2089 C6H3F3 Benzene trifluoride 123 bzf3a  
2090 C8H18O 1-Octanol octanol  
2091 C10H8 Azulene azu  
2092 C10H8 naphthalene naph  
2093 C10H10 bullvalene bullv  
2094 C10H16 adamantane adamantane  
2095 C6N4 Tetracyanoethylene tcne  
2096 C6N4- tetracyanoethylene anion tcne-  
2097 C10H22 Decane decane  
2098 C4F6 perfluorobutadiene c4f6  
2099 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2100 C3F8 perfluoropropane c3f8  
2101 Fe(CO)5 Iron pentacarbonyl ipc  
2102 Fe(C5H5)2 ferrocene fecp2  
2103 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2104 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2105 C12H8 Acenaphthylene acenaph  
2106 C12H8 biphenylene biph  
2107 C12H10 biphenyl biphenyl  
2108 C12H10 Heptalene heptalene  
2109 C6H12O6 Inositol inositol  
2110 C6F6 hexafluorobenzene c6f6  
2111 S2F10 disulphur decafluoride s2f10  
2112 C13H10 Fluorene fluorene  
2113 C14H10 Anthracene anth  
2114 C14H10 Phenanthrene phenanthrene  
2115 C14H14 Bibenzyl bibenzyl  
2116 C12H10N2 azobenzene azobenzene  
2117 C6H5COC6H5 benzophenone benzophenone  
2118 C16H10 Pyrene pyrene  
2119 C18H12 Tetracene tetracene  
2120 C19H16 Triphenylmethane tpm  
2121 C24H12 Coronene coronene  
2122 C60 Buckminsterfullerene c60