National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
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III.F.1. (I.A.4.)

List of which calculations are completed at B3PW91 /cc-pV(D+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 AlH aluminum monohydride 1ΣC∞v
2 SiH4 Silane 1A1Td
3 PH phosphorus monohydride 1Σ+C∞v
4 HS Mercapto radical 2ΠC∞v
5 H2S Hydrogen sulfide 1A1C2v
6 H2S+ Hydrogen sulfide cation 2B1C2v
7 H3S+ Sulfonium cation 1A1C3v
8 HCl Hydrogen chloride 1ΣC∞v
9 H2Cl+ dihydrogen monochloride cation 1A1C2v
10 Si2H6 disilane 1EuD3d
11 AlN Aluminum nitride 3ΠiC∞v
12 P2 Phosphorus diatomic 1ΣgD∞h
13 CaS Calcium sulfide 1ΣC∞v
14 NS Mononitrogen monosulfide 2ΠC∞v
15 PO Phosphorus monoxide 2ΠC∞v
16 SO Sulfur monoxide 3ΣC∞v
17 S2 Sulfur diatomic 3ΣgD∞h
18 S2+ sulfur diatomic cation 2ΠD∞h
19 H2CS Thioformaldehyde 1A1C2v
20 H2S2 Disulfane 1AC2
21 CH3SH Methanethiol 1A'Cs
22 CH3SH2+ protonated methylsulfide 1A'Cs
23 NCl nitrogen monochloride 3ΣC∞v
24 ClO Monochlorine monoxide 2ΠC∞v
25 ClF Chlorine monofluoride 1Σ+C∞v
26 Cl2 Chlorine diatomic 1ΣgD∞h
27 HOCl hypochlorous acid 1A'Cs
28 CH3Cl Methyl chloride 1A1C3v
29 Si3H8 trisilane   
30 SNO Nitrogen oxide sulfide   
31 SO2 Sulfur dioxide 1A1C2v
32 HSSSH trisulfane 1AC2
33 FNS Thionitrosyl fluoride 1A'Cs
34 FSN Thiazyl fluoride 1A'Cs
35 OPCl Phosphorus oxychloride   
36 OClO Chlorine dioxide 2B1D∞h
37 FClO chlorosyl fluoride 1A'Cs
38 ClOF Chlorine hypofluorite 1A'Cs
39 S2N2 Disulfur dinitride 1AGD2h
40 AlF3 Aluminum trifluoride 1A1'D3h
41 ClO2F Chloryl fluoride 1A'Cs
42 FSSF Difluorodisulfane 1AC2
43 S2F2 Thio-thionyl fluoride 1A'Cs
44 ClF3 Chlorine trifluoride 1A1C2v
45 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 beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH- aluminum monohydride 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 cation sih4+  
152 GeH4 Germane geh4  
153 SnH4 Stannane snh4  
154 SiH5+ Silane, protonated sih5+  
155 N Nitrogen atom n  
156 N- Nitrogen atom anion n-  
157 N+ Nitrogen atom cation n+  
158 P Phosphorus atom p  
159 P- Phosphorus atom anion p-  
160 P+ Phosphorus atom cation p+  
161 V Vanadium atom v  
162 V+ Vanadium atom cation v+  
163 As Arsenic atomic as  
164 As- Arsenic anion as-  
165 As+ Arsenic cation as+  
166 Sb Antimony atom sb  
167 NH Imidogen nh  
168 NH- Imidogen anion nh-  
169 NH+ imidogen cation nh+  
170 PH phosphorus monohydride ph  
171 PH- phosphorus monohydride anion ph-  
172 PH+ phosphorus monohydride cation ph+  
173 AsH Arsenic monohydride ash  
174 AsH+ Arsenic monohydride cation ash+  
175 SbH Antimony monohydride sbh  
176 ND2 Amidogen-d2 nd2  
177 NH2 Amino radical nh2  
178 NH2- amino anion nh2-  
179 NH2+ Amino cation nh2+  
180 PH2 Phosphino radical ph2  
181 PH2- Phosphino anion ph2-  
182 PH2+ Phosphino cation ph2+  
183 AsH2 Arsenic dihydride ash2  
184 AsH2+ Arsenic dihydride cation ash2+  
185 ND3 Ammonia-d3 nd3  
186 NH3 Ammonia nh3  
187 NH3- Ammonia anion nh3-  
188 NH3+ ammonia cation nh3+  
189 PH3 Phosphine ph3  
190 PH3+ Phosphine cation ph3+  
191 AsH3 Arsine ash3  
192 AsH3+ Arsine cation ash3+  
193 SbH3 Stibine sbh3  
194 AsH4+ Arsonium ash4+  
195 NH4 Ammonium radical nh4  
196 NH4+ ammonium cation nh4+  
197 PH4 Phosphoranyl radical ph4  
198 PH4+ phosphonium cation ph4+  
199 O Oxygen atom o  
200 O- Oxygen atom anion o-  
201 O+ Oxygen atom cation o+  
202 S Sulfur atom s  
203 S- Sulfur atom anion s-  
204 S+ Sulfur atom cation s+  
205 Cr Chromium atom cr  
206 Se Selenium atom se  
207 Se- Selenium atom anion se-  
208 Se+ Selenium atom cation se+  
209 Te Tellurium atom te  
210 Te+ Tellurium atom cation te+  
211 DO Hydroxyl-d od  
212 OH Hydroxyl radical oh  
213 OH- hydroxide anion oh-  
214 OH+ hydoxyl cation oh+  
215 DS Mercapto-d ds  
216 HS- mercapto anion sh-  
217 HS+ sulfur monohydride cation sh+  
218 CrH Chromium hydride crh  
219 CrH+ Chromium hydride cation crh+  
220 HSe Selenium monohydride hse  
221 HSe- selenium monohydride anion hse-  
222 HSe+ selenium monohydride cation hse+  
223 TeH Telluryl radical teh  
224 D2O Deuterium oxide d2o  
225 H2O Water h2o  
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 HCl+ hydrogen chloride cation 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 li2  
284 Li2- lithium diatomic anion li2-  
285 Li2+ lithium diatomic cation li2+  
286 NaLi lithium sodium lina  
287 NaLi- lithium sodium anion lina-  
288 NaLi+ lithium sodium cation lina+  
289 LiK Lithium Potassium lik  
290 Na2 Sodium diatomic na2  
291 Na2- sodium diatomic anion na2-  
292 Na2+ sodium diatomic cation na2+  
293 NaK Sodium Potassium nak  
294 NaK+ Sodium Potassium diatomic cation nak+  
295 K2 Potassium diatomic k2  
296 Cu2 Copper diatomic cu2  
297 LiBe Lithium Beryllium libe  
298 LiMg Lithium magnesium limg  
299 NaBe Sodium Beryllium nabe  
300 NaMg Sodium Magnesium namg  
301 Be2 Beryllium diatomic be2  
302 Be2- Beryllium diatomic anion be2-  
303 Be2+ Beryllium diatomic cation be2+  
304 BeMg Beryllium Magnesium bemg  
305 Mg2 Magnesium diatomic mg2  
306 Mg2- magnesium diatomic anion mg2-  
307 Mg2+ magnesium diatomic cation mg2+  
308 Ca2 Calcium diatomic ca2  
309 LiB Lithium boride lib  
310 LiAl Lithium Aluminum lial  
311 NaAl Sodium aluminum naal  
312 BeB Beryllium monoboride beb  
313 B2 Boron diatomic b2  
314 B2- Boron diatomic anion b2-  
315 B2+ Boron diatomic cation b2+  
316 BAl Boron Aluminum bal  
317 Al2 Aluminum diatomic al2  
318 Al2- aluminum diatomic anion al2-  
319 Al2+ aluminum diatomic cation al2+  
320 BGa Boron Gallium bga  
321 AlGa Aluminum Gallium alga  
322 Ga2 Gallium diatomic ga2  
323 HBBH Diborane(2) hbbh  
324 LiBH4 Lithium borohydride libh4  
325 B2H4 Diborane(4) D2d b2h4  
326 HBHHBH Diborane(4) C2V hbhhbh  
327 B2H6 Diborane b2h6  
328 B2H6+ Diborane cation b2h6  
329 Al2H6 dialane al2h6  
330 Ga2H6 digallane ga2h6  
331 LiC Lithium Carbide lic  
332 BeC Beryllium Carbide bec  
333 CaC Calcium monocarbide cac  
334 BC boron monocarbide bc  
335 BC- boron monocarbide anion bc-  
336 BC+ boron monocarbide cation bc+  
337 AlC Aluminum carbide alc  
338 BSi Boron silicide bsi  
339 C2 Carbon diatomic c2  
340 C2- carbon diatomic anion c2-  
341 C2+ carbon diatomic cation c2+  
342 SiC silicon monocarbide sic  
343 SiC- silicon monocarbide anion sic-  
344 SiC+ silicon monocarbide cation sic+  
345 Si2 Silicon diatomic si2  
346 Si2- silcon diatomic anion si2-  
347 Si2+ silcon diatomic cation si2+  
348 GeC Germanium monocarbide gec  
349 SiGe Silicon Germanium sige  
350 Ge2 Germanium diatomic ge2  
351 C2H Ethynyl radical c2h  
352 C2H- Ethynyl anion c2h-  
353 C2H+ Ethynyl cation c2h+  
354 ZnCH2 Zinc methylene znch2  
355 C2H2 Acetylene c2h2  
356 C2H2+ acetylene cation c2h2+  
357 CCH2 vinylidene vinylidene  
358 H2CC- vinylidene anion h2cc-  
359 HCCH- acetylene anion c2h2-  
360 Si2H2 disilyne si2h2  
361 CH3Li methyl lithium ch3li  
362 CuCH3 monomethyl copper cuch3  
363 ZnCH3 Zinc monomethyl znch3  
364 CH2BH methyleneborane ch2bh  
365 C2H3 vinyl c2h3  
366 C2H3- vinyl anion c2h3-  
367 C2H3+ vinyl cation c2h3+  
368 C2H4 Ethylene c2h4  
369 C2H4- Ethylene anion c2h4-  
370 C2H4+ Ethylene cation c2h4+  
371 CH3CH methylmethylene ch3ch  
372 CH2SiH2 silaethylene ch2sih2  
373 Si2H4 Disilene si2h4  
374 CH3BH2 methylborane ch3bh2  
375 C2H5 Ethyl radical c2h5  
376 C2H5- Ethyl anion c2h5-  
377 C2H5+ Ethyl cation c2h5+  
378 C2H6 Ethane c2h6  
379 C2H6+ ethane cation c2h6+  
380 CH3SiH3 methyl silane ch3sih3  
381 GeH3CH3 methyl germane geh3ch3  
382 C2H7+ Ethane, protonated c2h7+  
383 LiN Lithium Nitride lin  
384 LiN+ Lithium Nitride cation lin+  
385 LiP Lithium monophosphide lip  
386 BeN Beryllium mononitride ben  
387 BeN- Beryllium mononitride anion ben-  
388 BeN+ Beryllium mononitride cation ben+  
389 MgN Magnesium Nitride mgn  
390 BN- boron nitride anion bn-  
391 AlN- aluminum mononitride anion aln-  
392 AlN+ aluminum mononitride cation aln+  
393 BP Boron monophosphide bp  
394 AlP Aluminum monophosphide alp  
395 GaN Gallium mononitride gan  
396 GaP Gallium monophosphide gap  
397 GaAs Gallium arsenide gaas  
398 BN boron nitride bn  
399 BN+ boron nitride cation bn+  
400 CN Cyano radical cn  
401 CN- cyanide anion cn-  
402 CN+ Cyano cation cn+  
403 CP Carbon monophosphide cp  
404 CP- carbon monophosphide anion cp-  
405 CP+ carbon monophosphide cation cp+  
406 SiN Silicon nitride sin  
407 SiN- silicon mononitride anion sin-  
408 SiN+ silicon mononitride cation sin+  
409 SiP Silicon monophosphide sip  
410 SiP- Silicon monophosphide anion sip-  
411 SiP+ Silicon monophosphide cation sip+  
412 TiN Titanium mononitride tin  
413 N2 Nitrogen diatomic n2  
414 N2- nitrogen diatomic anion n2-  
415 N2+ diatomic nitrogen cation n2+  
416 PN Phosphorus mononitride pn  
417 PN- phosphorus nitride anion pn-  
418 PN+ phosphorus nitride cation pn+  
419 P2- phosphorus diatomic anion p2-  
420 P2+ phosphorus diatomic cation p2+  
421 AsN Arsenic mononitride asn  
422 AsP Arsenic monophosphide asp  
423 SbN Antimony nitride sbn  
424 As2 Arsenic diatomic as2  
425 HNB hydrogen nitrogen boron hnb  
426 HNC hydrogen isocyanide hnc  
427 HCN Hydrogen cyanide hcn  
428 HCN- Hydrogen cyanide anion hcn-  
429 HCN+ hydrogen cyanide cation hcn+  
430 HNC+ hydrogen isocyanide cation hnc+  
431 HCP Phosphaethyne hcp  
432 HCP+ Phosphaethyne cation hcp+  
433 NNH Dinitrogen monohydride nnh  
434 NNH+ Dinitrogen monohydride cation nnh+  
435 HPO Hydrogen phosphorus oxide hpo  
436 HPO+ Hydrogen phosphorus oxide cation hpo+  
437 LiNH2 lithium amide linh2  
438 HBNH Boranimine hbnh  
439 CNH2 Aminomethylidyne radical cnh2  
440 CNH2+ N-protonated hydrogen isocyanide cnh2+  
441 H2CN Dihydrogen cyanide radical h2cn  
442 H2CN+ hydrocyanonium cation h2cn+  
443 HCNH methyleneazane hcnh  
444 HCNH+ N-protonated HCN hcnh+  
445 H2NN Isodiazene h2nn  
446 N2H2 (E)-diazene n2h2  
447 N2H2 (Z)-Diazene n2h2z  
448 N2H2+ trans-diazene cation n2h2+  
449 CH2NH Methanimine ch3n  
450 CH2NH+ Methanimine cation ch2nh+  
451 CHNH2 aminomethylene chnh2  
452 CHNH2+ Aminocarbene cation chnh2+  
453 CH2PH Phosphaethene ch3p  
454 BH2NH2 Boranamine bh2nh2  
455 CH2NH2+ methyleneamine cation ch2nh2+  
456 N2H4 Hydrazine n2h4  
457 N2H4+ hydrazine cation n2h4+  
458 P2H4 Diphosphine p2h4  
459 CH3NH2 methyl amine ch3nh2  
460 CH3NH2+ methyl amine cation ch3nh2+  
461 CH3PH2 Methyl phosphine ch3ph2  
462 SiH3NH2 Silane, amino sih3nh2  
463 N2H5+ protonated hydrazine n2h5+  
464 BH3PH3 borane phosphine bh3ph3  
465 BH3NH3 borane ammonia bh3nh3  
466 CH3NH3 methyl ammonium radical ch3nh3  
467 CH3NH3+ protonated methylamine ch3nh3+  
468 CH3PH3+ methyl phosphine, protonated ch3ph3+  
469 NH3NH3 Ammonia Dimer nh3nh3  
470 N2H7+ ammonia ammonium dimer n2h7+  
471 LiO lithium oxide lio  
472 LiO- lithium oxide anion lio-  
473 LiO+ lithium oxide cation lio+  
474 LiS Lithium monosulfide lis  
475 LiS+ Lithium sulfide cation lis+  
476 NaO sodium monoxide nao  
477 NaO- sodium oxide anion nao-  
478 NaO+ sodium oxide cation nao+  
479 KO Potassium monoxide ko  
480 KO+ Potassium monoxide cation ko+  
481 NaS Sodium sulfide nas  
482 CuO Copper Monoxide cuo  
483 LiSe Lithium monoselenide lise  
484 BeO beryllium oxide beo  
485 BeO- Beryllium monoxide anion beo-  
486 BeO+ Beryllium monoxide cation beo+  
487 BeS beryllium sulfide bes  
488 MgO magnesium oxide mgo  
489 MgO- magnesium oxide anion mgo-  
490 MgO+ magnesium oxide cation mgo+  
491 CaO Calcium monoxide cao  
492 MgS magnesium sulfide mgs  
493 MgS- magnesium sulfide anion mgs-  
494 MgS+ magnesium sulfide cation mgs+  
495 ZnO zinc monoxide zno  
496 ZnS Zinc sulfide zns  
497 BeS- Beryllium monosulfide anion bes-  
498 BeS+ Beryllium monosulfide cation bes+  
499 BO boron monoxide bo  
500 BO- boron monoxide anion bo-  
501 AlO Aluminum monoxide alo  
502 AlO- Aluminum monoxide anion alo-  
503 AlO+ aluminum monoxide cation alo+  
504 BS boron sulfide bs  
505 BS- boron monosulfide anion bs-  
506 BS+ boron monosulfide cation bs+  
507 AlS Aluminum sulfide als  
508 AlS- aluminum monosulfide anion als-  
509 AlS+ aluminum monosulfide cation als+  
510 ScO Scandium monoxide sco  
511 GaO Gallium monoxide gao  
512 GaS Gallium monosulfide gas  
513 BO+ boron monoxide cation bo+  
514 CO Carbon monoxide co  
515 CO- carbon monoxide anion co-  
516 CO+ carbon monoxide cation co+  
517 CS carbon monosulfide cs  
518 CS- carbon monosulfide anion cs-  
519 CS+ carbon monosulfide cation cs+  
520 SiO Silicon monoxide sio  
521 SiO- silicon monoxide anion sio-  
522 SiO+ silicon monoxide cation sio+  
523 SiS silicon monosulfide sis  
524 SiS- silicon monosulfide anion sis-  
525 SiS+ silicon monosulfide cation sis+  
526 TiO Titanium monoxide tio  
527 CSe Carbon monoselenide cse  
528 CSe- Carbon monoselenide anion cse-  
529 CSe+ Carbon monoselenide cation cse+  
530 GeO Germanium monoxide geo  
531 GeO+ Germanium monoxide cation geo+  
532 GeS Germanium monosulfide ges  
533 SiSe Silicon Monoselenide sise  
534 SiSe+ Silicon Monoselenide cation sise+  
535 GeSe Germanium monoselenide gese  
536 NO Nitric oxide no  
537 NO- nitric oxide anion no-  
538 NO+ nitric oxide cation no+  
539 NS- nitrogen sulfide anion ns-  
540 NS+ nitrogen sulfide cation ns+  
541 PO- phosphorus monoxide anion po-  
542 PO+ phosphorus monoxide cation po+  
543 PS phosphorus sulfide ps  
544 PS- phosphorus monosulfide anion ps-  
545 PS+ phosphorus monosulfide cation ps+  
546 VO Vanadium monoxide vo  
547 AsO Arsenic monoxide aso  
548 NSe Nitrogen monoselenide nse  
549 AsS Arsenic monosulfide ass  
550 PSe Phosphorus monoselenide pse  
551 AsSe Arsenic monoselenide asse  
552 O2 Oxygen diatomic o2  
553 O2- oxygen diatomic anion o2-  
554 O2-- dioxygen dianion o2--  
555 O2+ diatomic oxygen cation o2+  
556 SO- sulfur monoxide anion so-  
557 SO+ sulfur monoxide cation so+  
558 S2- sulfur diatomic anion s2-  
559 SeO Selenium monoxide seo  
560 SeO- selenium monoxide anion seo-  
561 SeO+ selenium monoxide cation seo+  
562 SeS Selenium monosulfide ses  
563 SeS- selenium monosulfide anion ses-  
564 SeS+ selenium monosulfide cation ses+  
565 TeO Tellurium monoxide teo  
566 Se2 Selenium diatomic se2  
567 Se2- selenium diatomic anion se2-  
568 Se2+ selenium diatomic cation se2+  
569 Te2 Tellurium diatomic te2  
570 LiOH lithium hydroxide lioh  
571 NaOH sodium hydroxide naoh  
572 KOH Potassium hydroxide koh  
573 BeOH beryllium monohydroxide beoh  
574 MgOH magnesium hydroxide mgoh  
575 CaOH Calcium monohydroxide caoh  
576 HBO Boron hydride oxide hbo  
577 HBS hydrogen boron sulfide hbs  
578 COH Hydroxymethylidyne coh  
579 COH+ Carbon Monoxide, protonated coh+  
580 HCO Formyl radical hco  
581 HCO- formyl anion hco-  
582 HCO+ Formyl cation hco+  
583 HCS Thioformyl radical hcs  
584 HCS- Thioformyl anion hcs-  
585 HCS+ Thioformyl cation hcs+  
586 HNO Nitrosyl hydride hno  
587 HNO- Nitrosyl hydride anion hno-  
588 HNO+ Nitrosyl hydride cation hno+  
589 NOH Hydroxyimidogen noh  
590 NOH+ O-protonated nitric oxide noh+  
591 HNS Sulfur imide hns  
592 HNS- Sulfur imide anion hns-  
593 HO2 Hydroperoxy radical ho2  
594 HO2- Hydroperoxy anion ho2-  
595 HO2+ Hydroperoxy cation ho2+  
596 HSO+ Sulfur Monoxide, S-protonated HSO+  
597 SOH Sulfur Hydroxide soh  
598 SOH+ Sulfur Monoxide, protonated soh+  
599 HS2 Thiosulfeno radical hs2  
600 H2CO Formaldehyde h2co  
601 H2CO- formaldehyde anion h2co-  
602 H2CO+ formaldehyde cation h2co+  
603 HOCH hydroxycarbene hoch  
604 H2CS- thioformaldehyde anion h2cs-  
605 H2CS+ thioformaldehyde cation h2cs+  
606 H2CSe Selenoformaldehyde h2cse  
607 H2NO nitroxide h2no  
608 H2O2 Hydrogen peroxide h2o2  
609 H2O2+ Hydrogen peroxide cation h2o2+  
610 H2OO water oxide h2oo  
611 HOSH hydrogen thioperoxide hosh  
612 H2S2+ hydrogen disulfide cation h2s2+  
613 H2Se2 hydrogen diselenide h2se2  
614 CH2OH Hydroxymethyl radical ch2oh  
615 CH2OH+ hydroxymethyl cation ch2oh+  
616 CH3O Methoxy radical ch3o  
617 CH3O- methoxy anion ch3o-  
618 CH3O+ Methoxy cation ch3o+  
619 CH3S thiomethoxy ch3s  
620 H2CSH+ Thioformaldehyde, protonated h2csh+  
621 NH2OH hydroxylamine nh2oh  
622 NH2OH+ Hydroxylamine cation nh2oh+  
623 NH3O Ammonia Oxide nh3o  
624 H2POH Phosphinous acid h2poh  
625 H3PO Phosphine oxide h3po  
626 NH2SH Thiohydroxylamine nh2sh  
627 NH3S sulfidoazane nh3s  
628 H3O2+ hydrogen peroxide, protonated h3o2+  
629 CH3OH Methyl alcohol ch3oh  
630 CH3OH- Methyl alcohol anion ch3oh-  
631 CH3OH+ Methyl alcohol cation ch3oh+  
632 CH3SH+ Methanethiol cation ch3sh+  
633 SiH3OH silanol sih3oh  
634 CH3SeH Methane selenol ch3seh  
635 NH2OH2+ protonated hydroxylamine nh2oh2+  
636 NH3OH+ N-protonated hydroxylamine nh3oh+  
637 H2OH2O water dimer h2oh2o  
638 CH3OH2+ Methanol, protonated ch3oh2+  
639 H2ONH3 Water Ammonia Dimer h2onh3  
640 H5O2+ Dihydroxonium ion h5o2+  
641 LiF lithium fluoride lif  
642 LiCl lithium chloride licl  
643 LiCl- lithium chloride anion licl-  
644 LiCl+ lithium chloride cation licl+  
645 NaF sodium fluoride naf  
646 NaF- sodium fluoride anion naf-  
647 NaF+ sodium fluoride cation naf+  
648 KF Potassium Fluoride kf  
649 NaCl Sodium Chloride nacl  
650 NaCl- sodium chloride anion nacl-  
651 NaCl+ sodium chloride cation nacl+  
652 KCl Potassium Chloride kcl  
653 CuF Copper monofluoride cuf  
654 LiBr Lithium Bromide libr  
655 LiBr- lithium bromide anion libr-  
656 LiBr+ lithium bromide cation libr+  
657 CuCl Copper monochloride cucl  
658 NaBr Sodium Bromide nabr  
659 NaBr- sodium bromide anion nabr-  
660 NaBr+ sodium bromide cation nabr+  
661 KBr Potassium Bromide kbr  
662 LiI Lithium Iodide lii  
663 NaI Sodium Iodide nai  
664 KI Potassium Iodide ki  
665 LiF- lithium fluoride anion lif-  
666 LiF+ lithium fluoride cation lif+  
667 BeF Beryllium monofluoride bef  
668 BeF- Beryllium monofluoride anion bef-  
669 BeF+ Beryllium monofluoride cation bef+  
670 BeCl beryllium monochloride becl  
671 MgF Magnesium monofluoride mgf  
672 MgF- magnesium fluoride anion mgf-  
673 MgF+ magnesium fluoride cation mgf+  
674 CaF Calcium monofluoride caf  
675 MgCl magnesium monochloride mgcl  
676 MgCl- magnesium monochloride anion mgcl-  
677 MgCl+ magnesium monochloride cation mgcl+  
678 CaCl calcium monochloride cacl  
679 TiCl Titanium Monochloride ticl  
680 ZnF Zinc monofluoride znf  
681 ZnF- Zinc monofluoride anion znf-  
682 ZnF+ Zinc monofluoride cation znf+  
683 ZnCl Zinc monochloride zncl  
684 CaBr Calcium monobromide cabr  
685 BeCl- beryllium monochloride anion becl-  
686 BeCl+ beryllium monochloride cation becl+  
687 BF Boron monofluoride bf  
688 BF- Boron monofluoride anion bf-  
689 BF+ Boron monofluoride cation bf+  
690 AlF Aluminum monofluoride alf  
691 AlF- Aluminum monofluoride anion alf-  
692 AlF+ Aluminum monofluoride cation alf+  
693 BCl boron monochloride bcl  
694 BCl- boron monochloride anion bcl-  
695 BCl+ boron monochloride cation bcl+  
696 AlCl Aluminum monochloride alcl  
697 AlCl- aluminum monochloride anion alcl-  
698 AlCl+ aluminum monochloride cation alcl+  
699 ScF Scandium monofluoride scf  
700 BBr Boron monobromide bbr  
701 GaF Gallium monofluoride gaf  
702 GaF+ Gallium monofluoride cation gaf+  
703 AlBr Aluminum monobromide albr  
704 GaCl Gallium monochloride gacl  
705 GaCl+ Gallium monochloride cation gacl+  
706 AlI Aluminum monoiodide ali  
707 GaBr Gallium monobromide gabr  
708 CF Fluoromethylidyne cf  
709 CF- carbon monofluoride anion cf-  
710 CF+ carbon monofluoride cation cf+  
711 CCl carbon monochloride ccl  
712 CCl- carbon monochloride anion ccl-  
713 CCl+ carbon monochloride cation ccl+  
714 SiF silicon monofluoride sif  
715 SiF- silicon monofluoride anion sif-  
716 SiF+ silicon monofluoride cation sif+  
717 SiCl Clorosilylidyne sicl  
718 SiCl- silicon monochloride anion sicl-  
719 SiCl+ silicon monochloride cation sicl+  
720 CBr Carbon monobromide cbr  
721 GeF Germanium monofluoride gef  
722 GeF+ Germanium monofluoride cation gef+  
723 GeCl Germanium monochloride gecl  
724 GeCl+ Germanium monochloride cation gecl+  
725 SiBr Silicon monobromide sibr  
726 SiBr+ Silicon monobromide cation sibr+  
727 NF nitrogen fluoride nf  
728 NF- nitrogen monofluorine anion nf-  
729 NF+ nitrogen monofluoirde cation nf+  
730 NCl- nitrogen monochloride anion ncl-  
731 NCl+ nitrogen monochloride cation ncl+  
732 PF phosphorus monofluoride pf  
733 PF- phosphorus monofluoride anion pf-  
734 PF+ phosphorus monofluoride cation pf+  
735 PCl phosphorus chloride pcl  
736 PCl- phosphorus monochloride anion pcl-  
737 PCl+ phosphorus monochloride cation pcl+  
738 AsF Arsenic monofluoride asf  
739 NBr nitrogen monobromide nbr  
740 AsCl Arsenic monochloride ascl  
741 PBr Phosphorus monobromide pbr  
742 SbF Antimony monofluoride sbf  
743 SbCl Antimony monochloride sbcl  
744 FO Oxygen monofluoride fo  
745 FO- flourine oxide anion fo-  
746 FO+ fluorine monoxide cation fo+  
747 ClO- chlorine monoxide anion clo-  
748 ClO+ chlorine monoxide cation clo+  
749 SF Monosulfur monofluoride sf  
750 SF- sulfur monofluoride anion sf-  
751 SF+ sulfur monofluoride cation sf+  
752 SCl sulfur monochloride scl  
753 SCl- sulfur monochloride anion scl-  
754 SCl+ sulfur monochloride cation scl+  
755 BrO Bromine monoxide bro  
756 BrO- Bromine monoxide anion bro-  
757 BrO+ Bromine monoxide cation bro+  
758 SeF Selenium monofluoride sef  
759 SBr Sulfur monobromide radical sbr  
760 SBr+ Sulfur monobromide cation sbr+  
761 SeCl Selenium monochloride secl  
762 IO Iodine monoxide io  
763 SeBr Selenium monobromide sebr  
764 BrCl Bromine monochloride brcl  
765 F2 Fluorine diatomic f2  
766 F2- flourine diatomic anion f2-  
767 F2+ flourine diatomic cation f2+  
768 ClF- clorine monofluoride anion clf-  
769 ClF+ clorine monofluoride cation clf+  
770 Cl2- chlorine diatomic anion cl2-  
771 Cl2+ chlorine diatomic cation cl2+  
772 BrF Bromine monofluoride brf  
773 BrF- bromine fluoride anion brf-  
774 BrF+ bromine fluoride cation brf+  
775 BrCl- bromine chloride anion brcl-  
776 BrCl+ bromine chloride cation brcl+  
777 IF Iodine monofluoride if  
778 Br2 Bromine diatomic br2  
779 Br2- bromine diatomic anion br2-  
780 Br2+ bromine diatomic cation br2+  
781 ICl Iodine monochloride icl  
782 IBr Iodine monobromide ibr  
783 I2 Iodine diatomic i2  
784 I2+ Iodine diatomic cation i2+  
785 HCF Fluoromethylene hcf  
786 HCCl Chloromethylene hccl  
787 HSiF fluorosilylene hsif  
788 HSiCl Chlorosilylene hsicl  
789 HSiBr monobromosilylene hsibr  
790 CHBr bromomethylene chbr  
791 HOF Hypofluorous acid hfo  
792 DOCl Hypochlorous acid-d docl  
793 HOCl+ hypochlorous acid cation hocl+  
794 HOBr Hypobromous acid hobr  
795 HOBr+ Hypobromous acid cation hobr+  
796 HOI Hypoiodous acid hoi  
797 F2H+ Fluorine, protonated f2h+  
798 FHF Hydrogen difluoride fhf  
799 FHF- Hydrogen difluoride anion fhf-  
800 ClFH+ Chlorine fluoride, F-protonated clfh+  
801 FClH+ Chlorine fluoride, Cl-protonated fclh+  
802 Cl2H+ Chlorine, protonated cl2h+  
803 CH2Br bromomethyl radical ch2br  
804 CH2F fluoromethyl radical ch2f  
805 CH2F+ fluoromethyl cation ch2f+  
806 CH2Cl+ chloromethyl cation ch2cl+  
807 CH2Cl chloromethyl radical ch2cl  
808 NH2F monofluoroamine nh2f  
809 NH2Cl chloramine nh2cl  
810 H2F2 Hydrogen fluoride dimer h2f2  
811 CH3F+ methyl fluoride cation ch3f+  
812 CD3F methylfluoride-d3 cd3f  
813 CH3F Methyl fluoride ch3f  
814 CD3Cl methyl chloride d3 cd3cl  
815 CH3Cl+ Methyl chloride cation ch3cl+  
816 SiH3F monofluorosilane sih3f  
817 SiH3Cl chlorosilane sih3cl  
818 CH3Br methyl bromide ch3br  
819 GeH3F monofluorogermane geh3f  
820 GeH3Cl monochlorogermane geh3cl  
821 SiH3Br bromosilane sih3br  
822 CH3I methyl iodide ch3i  
823 SiH3I Silyl Iodide sih3i  
824 NH3Cl+ protonated monochloroammonia nh3cl+  
825 CH3ClH+ methyl chloride, protonated ch3clh+  
826 NH4Cl Ammonium chloride nh4cl  
827 LiNe+ Lithium Neon cation line+  
828 Ne2 Neon diatomic ne2  
829 Ne2+ Neon diatomic cation ne2+  
830 Ar2 Argon diatomic ar2  
831 Ar2+ Argon diatomic cation ar2+  
832 Li3 Lithium trimer li3  
833 Li3+ Lithium trimer cation li3+  
834 C3 carbon trimer c3  
835 C3+ carbon trimer cation c3+  
836 SiC2 Silicon dicarbide sic2  
837 C3H3 cyclopropenyl radical cpr  
838 C3H3 Propargyl radical propargyl  
839 C3H3- Propargyl anion c3h3-  
840 C3H3+ cyclopropenyl cation cpr+  
841 C3H3+ Propargyl cation c3h3+  
842 C3H4 cyclopropene cprop  
843 CH2CCH2 allene allene  
844 CH3CCH propyne propyne  
845 C3H5 Allyl radical allyl  
846 C3H5+ Allyl cation allyl+  
847 CH3CHCH 1-propenyl radical ch3chch  
848 Zn(CH3)2 dimethyl zinc dmz  
849 C3H6 Cyclopropane c3h6  
850 CH2CHCH3 Propene propene  
851 C3H7 n-Propyl radical npropyl  
852 C3H7+ cyclopropane, protonated c3h7+  
853 CH3CHCH3 Isopropyl radical isopropyl  
854 CH3CHCH3+ Isopropyl cation prop2yl+  
855 C3H8 Propane propane  
856 SiH2(CH3)2 dimethylsilane dms  
857 LiCN lithium cyanide licn  
858 NaCN Sodium Cyanide nacn  
859 KCN Potassium cyanide kcn  
860 CuCN Copper cyanide cucn  
861 ZnCN Zinc monocyanide zncn  
862 ZnNC Zinc isocyanide znnc  
863 AlCN Aluminum monocyanide alcn  
864 AlNC Aluminum isocyanide alnc  
865 CN2 3H-Diazirin-3-ylidene cn2  
866 CNN Diazocarbene cnn  
867 NCN Cyanoimidogen ncn  
868 N3 azide radical n3  
869 N3- azide anion n3-  
870 N3+ azide cation n3+  
871 HCCN cyanomethylene hccn  
872 HCNN diazomethyl radical hcnn  
873 HN3 hydrogen azide hn3  
874 HN3+ Hydrazoic acid cation hn3+  
875 HNCNH diiminomethane hncnh  
876 CH2N2 diazirine ch2n2  
877 CH2NN diazomethane ch2nn  
878 NH2CN cyanamide cyanamide  
879 HNNNH+ 1,2-Triazadienium n2h3+  
880 NH2NN+ hydrazoic acid, protonated nh2nn+  
881 CH3CN Acetonitrile ch3cn  
882 CH3CN- acetonitrile anion ch3cn-  
883 CH3CN+ Acetonitrile cation ch3cn+  
884 CH3NC methyl isocyanide ch3nc  
885 CHNCH2 2H-Azirine c157164  
886 CHNHCH 1H-Azirine chnhch  
887 H2CCNH Ethenimine ch2cnh  
888 H2CNCH methyleneaminomethylene ch2nch  
889 HCCNH2 Ethynamine hccnh2  
890 HCNCH2+ 2H-Azirine cation hcnch2+  
891 HNCNH2+ diiminomethane, protonated hncnh2+  
892 NCNH3+ Cyanamide, protonated ncnh3+  
893 NH2CNH+ cyanamide, cn protonated nh2cnh+  
894 NH3CN+ cyanamide, amine protonated nh3cn+  
895 CH2CHNH vinylazine ch2chnh  
896 CH3CHN methylmethaniminyl radical ch3chn  
897 NHCHNH2 aminomethanimine cn2h4  
898 C2H5N Aziridine c2h5n  
899 CH2CHNH2 aminoethene aminoethene  
900 CH2NCH3 N-methylmethanimine nmm  
901 CH3CHNH ethanimine ethanimine  
902 NH2BHNH2 diaminoborane nh2bhnh2  
903 C2H5NH+ Protonated Aziridine c2h5nh+  
904 C2H6N+ aziridine, protonated c2h6n+  
905 NH2CH2NH2 diaminomethane nh2ch2nh2  
906 CH3CH2NH2 Ethylamine etam  
907 CH3NHCH3 Dimethylamine ch3nhch3  
908 CH3PHCH3 dimethylphosphine ch3phch3  
909 NH2CH2NH3+ diaminoethane, protonated pdam  
910 (CH3)2NH2+ dimethylammonium cation dmam  
911 CH3CH2NH3+ ethylamine, protonated pea  
912 Li2O dilithium oxide li2o  
913 Li2O+ dilithium oxide cation li2o+  
914 Li2S dilithium sulfide li2s  
915 Na2O disodium monoxide na2o  
916 Na2S Sodium sulfide na2s  
917 LiO2 Lithium dioxide lio2  
918 NaO2 Sodium superoxide nao2  
919 CCO Dicarbon monoxide cco  
920 CNO- fulminate cno-  
921 NCO isocyanato radical nco  
922 NCO- cyanate nco-  
923 SCN thiocyanato radical scn  
924 SCN- thiocyanide anion scn-  
925 BO2 Boron dioxide bo2  
926 BO2- Boron dioxide anion bo2-  
927 BO2+ Boron dioxide cation bo2+  
928 N2O Nitrous oxide n2o  
929 N2O- Nitrous oxide anion n2o-  
930 N2O+ Nitrous oxide cation n2o+  
931 NNS Nitrogen sulfide nns  
932 PPO Phosphorus oxide phosphide ppo  
933 CO2 Carbon dioxide co2  
934 CO2- Carbon dioxide anion co2-  
935 CO2+ Carbon dioxide cation co2+  
936 OCS Carbonyl sulfide cos  
937 OCS+ Carbonyl sulfide cation cos+  
938 SiO2 silicon dioxide sio2  
939 CS2 Carbon disulfide cs2  
940 CS2- Carbon disulfide anion cs2-  
941 CS2+ Carbon disulfide cation cs2+  
942 TiO2 Titanium dioxide tio2  
943 SiS2 Silicon disulfide sis2  
944 GeO2 Germanium dioxide geo2  
945 OCSe Carbonyl selenide ocse  
946 SCSe Carbon sulfide selenide scse  
947 GeS2 Germanium disulfide ges2  
948 CSe2 Carbon diselenide cse2  
949 SCTe Carbon sulfide Telluride scte  
950 NO2 Nitrogen dioxide no2  
951 NO2- Nitrogen dioxide anion no2-  
952 NO2+ Nitrogen dioxide cation no2+  
953 NSO sulfinyl amidogen NSO  
954 PO2 Phosphorus dioxide po2  
955 PO2- Phosphorus dioxide anion po2-  
956 PO2+ Phosphorus dioxide cation po2+  
957 AsO2 Aresenic dioxide aso2  
958 O3 Ozone o3  
959 O3- Ozone anion o3-  
960 O3+ Ozone cation o3+  
961 SO2- Sulfur dioxide anion so2-  
962 SO2+ Sulfur dioxide cation so2+  
963 SSO Disulfur monoxide sso  
964 S3 Sulfur trimer s3  
965 S3- Sulfur trimer anion s3-  
966 S3+ Sulfur trimer cation s3+  
967 SeO2 Selenium dioxide seo2  
968 SeO2+ Selenium dioxide cation seo2+  
969 TeO2 Tellurium Dioxide teo2  
970 HCCO ketenyl radical ketenyl  
971 CS2H+ Carbon disulfide, protonated cs2h+  
972 HCNO fulminic acid hcno  
973 HNCO Isocyanic acid hnco  
974 HOCN cyanic acid hocn  
975 HNCS Isothiocyanic acid hncs  
976 HSCN thiocyanic acid hscn  
977 HCO2- formate anion hco2-  
978 HNNO nitrosoazane hnno  
979 HNNO+ Nitrous oxide, N-protonated hnno+  
980 NNOH+ Nitrous Oxide, O-protonated nnoh+  
981 HCOO formate neutral radical hcoo  
982 HOCO Hydrocarboxyl radical hoco  
983 HOCO+ Hydrocarboxyl cation hoco+  
984 HNO2 Nitrous acid hno2  
985 HNO2+ nitrous acid cation hno2+  
986 O3H+ protonated ozone o3h+  
987 SO2H+ protonated sulfur dioxide so2h+  
988 C2H2O Oxirene oxirene  
989 CH2CO Ketene ch2co  
990 CH2CO+ Ketene cation ch2co+  
991 HCCOH ethynol hccoh  
992 CH2CS Thioketene ch2cs  
993 Be(OH)2 Beryllium hydroxide beo2h2  
994 Mg(OH)2 Magnesium dihydroxide h2mgo2  
995 NH2NO Nitrosamide nh2no  
996 CH2O2 Dioxirane diox  
997 H2COO Dioxymethyl radical h2coo  
998 H2COO+ dioxymethyl cation h2coo+  
999 HCOOH Formic acid ch2o2  
1000 H2O3 Hydrogen trioxide h2o3  
1001 NaOCH3 Sodium methoxide naoch3  
1002 CH2BOH hydroxy(methylene)borane ch2boh  
1003 BH3CO Borane carbonyl bh3co  
1004 CH3BO Borane, methyloxo- ch3bo  
1005 CH2CHO Vinyloxy radical ch2cho  
1006 CH2COH+ ketene, protonated ch2coh+  
1007 CH3CO Acetyl radical ch3co  
1008 CH3CO- Acetyl anion ch3co-  
1009 CH3CO+ acetyl cation ch3co+  
1010 CH2NOH formaldoxime ch2noh  
1011 CH3NO nitrosomethane ch3no  
1012 CHONH2 formamide formamide  
1013 CNOH3 1,2-oxaziridine cnoh3  
1014 HOCHNH hydroxymethylimine hochnh  
1015 CHSNH2 thioformamide chsnh2  
1016 NHCHSH Methanimidothioic acid nhchsh  
1017 CH2OOH CH2OOH radical ch2ooh  
1018 CH3OO methylperoxy radical ch3oo  
1019 CH3OO- methylperoxy anion ch3oo-  
1020 CH3OO+ methylperoxy cation ch3oo+  
1021 C2H4O Ethylene oxide c2h4o  
1022 C2H4O+ ethylene oxide cation c2h4o+  
1023 CH2CHOH ethenol ch2choh  
1024 CH3CHO Acetaldehyde ch3cho  
1025 CH3CHO+ acetaldehyde cation ch3cho+  
1026 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1027 C2H4S Thiirane thiirane  
1028 CH2CHSH Ethenethiol ch2chsh  
1029 CH3CHS Thioacetaldehyde ch3chs  
1030 H2CONH2+ protonated formamide h2conh2+  
1031 NH2CHOH+ Formamide, O-protonated nh2choh+  
1032 NH3CHO+ Formamide, N-Protonated nh3cho+  
1033 CH2(OH)2 methanediol ch2o2h2  
1034 CH3OOH Methyl peroxide ch3ooh  
1035 CH3SSH Hydrogen methyl disulfide ch3ssh  
1036 HSCH2SH Methanedithiol ch4s2  
1037 H2OH2CO water formaldehyde dimer h2oh2co  
1038 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1039 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1040 CH3CH2O Ethoxy radical ethoxy  
1041 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1042 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1043 CH3OCH2 methoxymethyl radical ch3och2  
1044 NH2CH2OH aminomethanol nh2ch2oh  
1045 CH3CH2OH Ethanol etoh  
1046 CH3OCH3 Dimethyl ether meome  
1047 CH3CH2SH ethanethiol etsh  
1048 CH3SCH3 Dimethyl sulfide mesme  
1049 CH3SCH3+ dimethyl sulfide cation mesme+  
1050 CH3SeCH3 dimethylselenide dmse  
1051 CH3OHH2O methanol water dimer ch3ohh2o  
1052 H2OCH3OH water methanol dimer h2och3oh  
1053 CuF2 Copper difluoride cuf2  
1054 ZnF2 Zinc difluoride znf2  
1055 CNF iso cyanogen fluoride cnf  
1056 FCN Cyanogen fluoride fcn  
1057 ClCN chlorocyanogen clcn  
1058 BrCN Cyanogen bromide brcn  
1059 ICN Cyanogen iodide icn  
1060 FBO Boron monofluoride monoxide fbo  
1061 BeF2 Beryllium fluoride bef2  
1062 MgF2 Magnesium fluoride mgf2  
1063 BeCl2 Beryllium chloride becl2  
1064 MgCl2 Magnesium dichloride mgcl2  
1065 CaCl2 Calcium Chloride cacl2  
1066 ZnCl2 Zinc dichloride zncl2  
1067 BeBr2 Beryllium bromide bebr2  
1068 CaBr2 Calcium dibromide cabr2  
1069 CaF2 Calcium difluoride caf2  
1070 FCO Carbonyl fluoride fco  
1071 FCO+ Carbonyl fluoride cation fco+  
1072 ClCO carbonyl monochloride clco  
1073 BF2 Boron difluoride radical bf2  
1074 FNO Nitrosyl fluoride fno  
1075 ClNO Nitrosyl chloride clno  
1076 BrNO Nitrosyl bromide brno  
1077 INO Nitrosyl iodide ino  
1078 CF2 Difluoromethylene cf2  
1079 CF2- Difluoromethylene anion cf2-  
1080 CF2+ Difluoromethylene cation cf2+  
1081 CFCl chlorofluoromethylene cfcl  
1082 SiF2 Silicon difluoride sif2  
1083 SiF2+ Silicon difluoride cation sif2+  
1084 CCl2 dichloromethylene ccl2  
1085 CCl2- dichloromethylene anion ccl2-  
1086 CCl2+ dichloromethylene cation ccl2+  
1087 SiCl2 Dichlorosilylene sicl2  
1088 GeF2 Germanium difluoride gef2  
1089 GeCl2 Germanium dichloride gecl2  
1090 CBr2 dibromomethylene cbr2  
1091 FOO Dioxygen monofluoride radical foo  
1092 FOO+ Fluorine dioxide cation foo+  
1093 ClOO chloroperoxy radical cloo  
1094 ClOO+ chloroperoxy cation cloo+  
1095 OClO- Chlorine dioxide anion oclo-  
1096 OClO+ Chlorine dioxide cation oclo+  
1097 ClSO Sulfur chloride oxide clso  
1098 ClS2 Sulfur chloride cls2  
1099 BrOO Bromine dioxide broo  
1100 OBrO Bromine dioxide radical obro  
1101 NF2 Difluoroamino radical nf2  
1102 NF2+ Difluoroamino cation nf2+  
1103 PF2 Phosphorus difluoride pf2  
1104 PF2+ Phosphorus difluoride cation pf2+  
1105 F2O Difluorine monoxide f2o  
1106 SF2 sulfur difluoride sf2  
1107 SF2- sulfur difluoride anion sf2-  
1108 SF2+ sulfur difluoride cation sf2+  
1109 Cl2O Dichlorine monoxide cl2o  
1110 SCl2 Sulfur dichloride scl2  
1111 SeF2 Selenium difluoride sef2  
1112 BrOCl Bromine hypochlorite brocl  
1113 SeCl2 Selenium Dichloride secl2  
1114 SBr2 Sulfur dibromide sbr2  
1115 SeBr2 Selenium dibromide sebr2  
1116 BrOBr Bromine oxide brobr  
1117 F3- trifluoride anion f3-  
1118 Cl3- trichloride anion cl3-  
1119 Br3- tribromide anion br3-  
1120 I3- triiodide i3-  
1121 SFCl Sulfur chloride fluoride sfcl  
1122 HCCF Fluoroacetylene hccf  
1123 HCCF+ fluoroacetylene cation hccf+  
1124 HCCCl Chloroacetylene hcccl  
1125 HCCBr bromoacetylene hccbr  
1126 HFCO formyl fluoride hfco  
1127 HFCO+ formyl fluoride cation hfco+  
1128 COHCl Formyl chloride cohcl  
1129 COHBr Formyl bromide cohbr  
1130 BHF2 Difluoroborane bhf2  
1131 BHCl2 Borane, dichloro- bhcl2  
1132 CHCl2 dichloromethyl radical chcl2  
1133 CHF2 difluoromethyl radical chf2  
1134 CHF2+ difluoromethyl cation chf2+  
1135 CHFCl Chlorofluoromethyl radical chfcl  
1136 CHFCl+ Chlorofluoromethyl cation chfcl+  
1137 CHCl2+ dichloromethyl cation chcl2+  
1138 CHBr2 dibromomethyl radical chbr2  
1139 HOClO Chlorous acid hoclo  
1140 NHF2 difluoramine nhf2  
1141 NHCl2 dichloroamine nhcl2  
1142 CH2F2 Methane, difluoro- ch2f2  
1143 CH2FCl fluorochloromethane ch2fcl  
1144 SiH2F2 difluorosilane sih2f2  
1145 CH2Cl2 Methylene chloride ch2cl2  
1146 CH2BrF Methane, bromofluoro- ch2fbr  
1147 CH2BrCl Methane, bromochloro- ch2clbr  
1148 CH2FI fluoroiodomethane ch2fi  
1149 CH2Br2 dibromomethane ch2br2  
1150 CH2ClI chloroiodomethane ch2cli  
1151 CH2BrI bromoiodomethane ch2bri  
1152 CH2I2 Diiodomethane ch2i2  
1153 SiH2Cl2 dichlorosilane sih2cl2  
1154 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1155 CH2CHF Ethene, fluoro- ch2chf  
1156 CH2CHF+ fluoroethene cation ch2chf+  
1157 C2H3Cl Ethene, chloro- ch2chcl  
1158 C2H3Br vinyl bromide c2h3br  
1159 C2H3I Vinyl iodide c2h3i  
1160 CH2FOH fluoromethanol ch2foh  
1161 CH3OCl methyl hypochlorite ch3ocl  
1162 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1163 CHClCH3 1-chloroethyl radical chclch3  
1164 C2H5F fluoroethane c2h5f  
1165 CH3CH2Cl Ethyl chloride c2h5cl  
1166 CH3SiFH2 fluoromethylsilane ch3sifh2  
1167 C2H5Br Ethyl bromide etbr  
1168 C2H5I Ethyl iodide c2h5i  
1169 KrF2 Krypton difluoride krf2  
1170 XeF2 Xenon difluoride xef2  
1171 B4H10 Tetraborane(10) b4h10  
1172 C4 Carbon tetramer c4  
1173 C4+ Carbon tetramer cation c4+  
1174 C4H2 Diacetylene c4h2  
1175 C4H2+ diacetlyene cation c4h2+  
1176 C2H3CCH 1-Buten-3-yne c2h3cch  
1177 C4H4 cyclobutadiene cbd  
1178 C4H4 Tetrahedrane c4h4  
1179 H2CCCCH2 Butatriene h2cccch2  
1180 C4H6 1-Methylcyclopropene c3100047  
1181 C4H6 Cyclobutene c822355  
1182 C4H6 Methylenecyclopropane c6142730  
1183 CH2CCHCH3 1,2-Butadiene butad12  
1184 CH2CHCHCH2 1,3-Butadiene c106990  
1185 CH3CCCH3 2-Butyne c503173  
1186 CHCCH2CH3 1-Butyne c107006  
1187 CH3CHCHCH2 methylallyl radical c4h7  
1188 C4H8 methylcyclopropane mcp  
1189 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1190 CH2CHCH2CH3 1-Butene bute1  
1191 CH3CHCHCH3 2-Butene, (E)- bute2e  
1192 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1193 B(CH3)3 trimethylborane bme3  
1194 Al(CH3)3 trimethyl aluminum tma  
1195 C(CH3)3 Tert-butyl radical tbutyl  
1196 CH2CH(CH3)2 Isobutyl radical isobutyl  
1197 CH3CHCH2CH3 2-Butyl radical butyl2  
1198 CH3CH(CH3)CH3 Isobutane isobutane  
1199 CH3CH2CH2CH3 Butane butane  
1200 SiH(CH3)3 trimethylsilane trimsi  
1201 Li3N trilithium nitride li3n  
1202 C2N2 Cyanogen c2n2  
1203 C2N2+ Cyanogen cation c2n2+  
1204 P4 Phosphorus tetramer p4  
1205 As4 Arsenic tetramer as4  
1206 HCCCN Cyanoacetylene hcccn  
1207 HCCCN+ Cyanoacetylene cation hcccn+  
1208 H2CNCN cyanamide, methylene ch2ncn  
1209 HNCCNH Ethenediimine hnccnh  
1210 C3H3N acrylonitrile ch2chcn  
1211 C3H3N+ acrylonitrile cation ch2chcn+  
1212 CH3N3 methyl azide ch3n3  
1213 NH2CCNH2 Diaminoacetylene daa  
1214 NH2CH2CN Aminoacetonitrile aan  
1215 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1216 C2H5CN ethyl cyanide c2h5cn  
1217 CH5N3 Guanidine guanidine  
1218 C4H6 Bicyclo[1.1.0]butane c157335  
1219 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1220 H2NCHCHNH2 diaminoethylene dae  
1221 CH6N3+ guanidinium ch6n3+  
1222 C3H7N Cyclopropylamine cpram  
1223 CH7N3 triaminomethane tam  
1224 C3H7N Azetidine azet  
1225 C4H8 cyclobutane cbutane  
1226 C2H8N2 Ethylenediamine ethdiam  
1227 CH3NHNHCH3 dimethyl hydrazine dmh  
1228 CH3CH(NH2)CH3 2-Propanamine pram2  
1229 N(CH3)3 Trimethylamine trimeam  
1230 NH2CH2CH2CH3 1-Propanamine pram1  
1231 P(CH3)3 trimethylphosphine tmp  
1232 N(SiH3)3 trisilylamine tsa  
1233 As(CH3)3 trimethyl arsine tmas  
1234 (CH3)3NH+ protonated trimethyl amine ptma  
1235 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1236 Li2O2 dilithium dioxide li2o2  
1237 Na2O2 disodium dioxide na2o2  
1238 K2O2 dipotassium dioxide k2o2  
1239 C3O Tricarbon monoxide c3o  
1240 B2O2 Diboron dioxide b2o2  
1241 ONNO NO dimer onno  
1242 CO3 Carbon trioxide co3  
1243 CO3-- carbonate co3--  
1244 CS3-- Carbonotrithioate cs3--  
1245 NO3 Nitrogen trioxide no3  
1246 NO3- nitrate anion no3-  
1247 NO3+ nitrogen trioxide cation no3+  
1248 SO3 Sulfur trioxide so3  
1249 SO3- Sulfur trioxide anion so3-  
1250 SO3-- Sulfate dianion so3--  
1251 SO3+ Sulfur trioxide cation so3+  
1252 SeO3 selenium trioxide seo3  
1253 S4 Sulfur tetramer s4  
1254 TeO3 Tellurium trioxide teo3  
1255 HCO3- bicarbonate anion hco3-  
1256 HNO3 Nitric acid hno3  
1257 HSO3 Hydroxysulfonyl radical hso3  
1258 NH2NO2 nitramide nh2no2  
1259 C2H2CO cyclopropenone c2h2co  
1260 C3H2O Propadienal c3h2o  
1261 HCCCHO 2-propynal hcccho  
1262 C2H2O2 Ethanedial c2h2o2  
1263 C2H2O2+ Ethanedial cation c2h2o2+  
1264 H2CO3 Carbonic acid h2co3  
1265 H2CS3 thiocarbonic acid h2cs3  
1266 H2NO3+ Nitric Acid, Protonated h2no3+  
1267 H2SO3 Sulfurous acid h2so3  
1268 C2H3NO Nitrosoethylene c2h3no  
1269 CH3NCO methylisocyante ch3nco  
1270 HOCH2CN cyanomethanol hoch2cn  
1271 CH3COO- acetate anion ch3coo-  
1272 CH3NO2 Methane, nitro- ch3no2  
1273 CH3ONO Methyl nitrite ch3ono  
1274 NH2COOH Carbamic acid nh2cooh  
1275 H3BO3 Boric acid h3bo3  
1276 H3AlO3 Aluminum hydroxide h3alo3  
1277 H3CO3+ carbonic acid, protonated h3co3+  
1278 C3H4O 2-Propyn-1-ol c107197  
1279 C3H4O allenol c9000071  
1280 C3H4O Cyclopropanone cpone  
1281 C3H4O Methylketene c6004440  
1282 CH2CHCHO Acrolein c3h4o  
1283 NH2CONH2 Urea urea  
1284 NH2CONH2+ Urea cation urea+  
1285 NH2CSNH2 Thiourea thiourea  
1286 C2H4O2 1,3-dioxetane c2h4o2  
1287 CH3COOH Acetic acid ch3cooh  
1288 CH3OCHO methyl formate ch3ocho  
1289 CHOCH2OH hydroxy acetaldehyde haa  
1290 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1291 NH3COOH+ protonated Carbamic acid nh3cooh+  
1292 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1293 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1294 HCOOHH2O Formic acid water dimer hcoohh2o  
1295 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1296 CH3COCH2 Acetonyl radical ch3coch2  
1297 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1298 CH3C(OH)=NH Ethaninidic acid eia  
1299 CH3CHNOH Acetaldoxime acetaldoxime  
1300 CH3CONH2 Acetamide acetamide  
1301 HCONHCH3 N-methylformamide nmfa  
1302 CH3CSNH2 Ethanethioamide ch3csnh2  
1303 CH5N2O+ urea, N-protonated ch4n2o+  
1304 H2NCOHNH2+ urea, protonated ureah+  
1305 C2H5OO ethylperoxy radical c2h5oo  
1306 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1307 C3H5OH Cyclopropanol cproh  
1308 C3H6O 2-Propen-1-ol c107186  
1309 C3H6O Acetone enol enol  
1310 C3H6O Oxetane oxetane  
1311 C3H6O Propylene oxide prox  
1312 CH3CH2CHO Propanal propanal  
1313 CH3COCH3 Acetone acetone  
1314 CH3COCH3- acetone anion ch3coch3-  
1315 C3H6S Thietane thietane  
1316 C3H6S Thiirane, methyl- methiirane  
1317 CH3CSCH3 Thioacetone ch3csch3  
1318 C2H6O2 1,2-Ethanediol ethdiol  
1319 CH3OOCH3 dimethylperoxide dmp  
1320 CH3SOCH3 Dimethyl sulfoxide dmso  
1321 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1322 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1323 CH3COHCH3+ acetone, protonated acetoneh+  
1324 HOCH2CH2NH2 monoethanolamine mea  
1325 C3H7OH 1-Propanol proh  
1326 CH3CHOHCH3 Isopropyl alcohol isoproh  
1327 CH3OC2H5 Ethane, methoxy- etome  
1328 C3H7SH 1-Propanethiol prsh  
1329 CH3CHSHCH3 2-Propanethiol isoprsh  
1330 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1331 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1332 Li2F2 Lithium fluoride dimer li2f2  
1333 Na2F2 Sodium Fluoride Dimer na2f2  
1334 Na2Cl2 Disodium dichloride na2cl2  
1335 C2F2 difluoroacetylene c2f2  
1336 C2Cl2 dichloroacetylene c2cl2  
1337 C2Cl2+ dichloroacetylene cation c2cl2+  
1338 FNO2 Nitryl fluoride fno2  
1339 FONO Nitrosyl hypofluorite fono  
1340 ClNO2 Nitryl chloride clno2  
1341 ClONO chlorine nitrite clono  
1342 BrONO Bromine nitrite brono  
1343 N2F2 (Z)-Difluorodiazene n2f2_z  
1344 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1345 CF2O Carbonic difluoride f2co  
1346 CF2O+ Carbonic difluoride cation f2co+  
1347 COFCl Carbonic chloride fluoride cofcl  
1348 CCl2O Phosgene cl2co  
1349 Cl2CS Thiophosgene cl2cs  
1350 COBr2 Carbonic dibromide cobr2  
1351 BF3 Borane, trifluoro- bf3  
1352 BF3- Borane, trifluoro- anion bf3-  
1353 BF3+ boron trifluoride cation bf3+  
1354 BClF2 Chlorodifluoroborane bclf2  
1355 AlF2Cl Aluminum chloride difluoride alclf2  
1356 ScF3 Scandium trifluoride ScF3  
1357 AlFCl2 Aluminum dichloride fluoride alcl2f  
1358 BCl3 Borane, trichloro- bcl3  
1359 BCl3+ Boron Trichloride cation bcl3+  
1360 GaF3 Gallium trifluoride gaf3  
1361 AlCl3 Aluminum trichloride alcl3  
1362 GaCl3 Gallium trichloride gacl3  
1363 BBr3 Boron tribromide bbr3  
1364 AlBr3 Aluminum Bromide albr3  
1365 ClO3 Chlorine trioxide clo3  
1366 ClO3- chlorate anion clo3-  
1367 BrO3- Bromate anion bro3-  
1368 CF3 Trifluoromethyl radical cf3  
1369 CF3- Trifluoromethyl anion cf3-  
1370 CF3+ Trifluoromethyl cation cf3+  
1371 CF2Cl difluorochloromethyl radical cf2cl  
1372 SiF3 Silicon trifluoride radical sif3  
1373 SiF3+ Silicon trifluoride cation sif3+  
1374 CFCl2 dichlorofluoromethyl radical cfcl2  
1375 CCl3 Trichloromethyl radical ccl3  
1376 CCl3- Trichloromethyl anion ccl3-  
1377 CCl3+ Trichloromethyl cation ccl3+  
1378 SiCl3 trichlorosilyl radical sicl3  
1379 SiCl3+ trichlorosilyl cation sicl3+  
1380 CBr3 tribromomethyl radical cbr3  
1381 FOOF Perfluoroperoxide foof  
1382 F2SO Thionyl Fluoride f2so  
1383 ClOOCl Dichlorine dioxide cloocl  
1384 SOCl2 thionyl chloride socl2  
1385 SSCl2 Thiothionyl chloride sscl2  
1386 SeOCl2 selenium oxychloride seocl2  
1387 NF3 Nitrogen trifluoride nf3  
1388 NF3- Nitrogen trifluoride anion nf3-  
1389 NF3+ Nitrogen trifluoride cation nf3+  
1390 PF3 Phosphorus trifluoride pf3  
1391 NCl3 nitrogen trichloride ncl3  
1392 AsF3 Arsenic trifluoride asf3  
1393 PCl3 Phosphorus trichloride pcl3  
1394 SbF3 Antimony Trifluoride sbf3  
1395 AsCl3 Arsenous trichloride ascl3  
1396 SbCl3 Antimony Trichloride sbcl3  
1397 NBr3 Nitrogen Tribromide nbr3  
1398 PBr3 Phosphorus tribromide pbr3  
1399 AsBr3 Arsenic tribromide asbr3  
1400 NI3 Nitrogen triiodide ni3  
1401 PI3 Phosphorus triiodide pi3  
1402 ClSSCl Disulfur dichloride s2cl2  
1403 SF3 Sulfur trifluoride sf3  
1404 BrF3 Bromine trifluoride brf3  
1405 IF3 iodone trifluoride if3  
1406 HClO3 Chloric Acid hclo3  
1407 CHF3 Methane, trifluoro- chf3  
1408 CHF2Cl difluorochloromethane chf2cl  
1409 SiHF3 trifluorosilane sihf3  
1410 CHFCl2 fluorodichloromethane chfcl2  
1411 CDCl3 trichloromethane-d cdcl3  
1412 CHCl3 Chloroform chcl3  
1413 CHBrF2 Methane, bromodifluoro- chbrf2  
1414 SiHCl3 Trichlorosilane sihcl3  
1415 CHFClBr fluorochlorobromomethane chfclbr  
1416 CHBrCl2 Methane, bromodichloro- chbrcl2  
1417 CHF2I difluoroiodomethane chf2i  
1418 CHBr2F dibromofluoromethane chbr2f  
1419 CHFClI fluorochloroiodomethane chfcli  
1420 CHCl2I dichloroiodomethane chcl2i  
1421 CHClBr2 Methane, dibromochloro- chclbr2  
1422 CHBr3 bromoform chbr3  
1423 CHI3 Iodoform chi3  
1424 NF3H+ protonated nitrogen trifluoride nf3h+  
1425 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1426 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1427 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1428 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1429 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1430 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1431 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1432 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1433 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1434 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1435 C2H2Br2 1,1-dibromoethene c2h2br2  
1436 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1437 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1438 CH2FCHO Fluoroacetaldehyde ch2fcho  
1439 CH3COF Acetyl fluoride ch3cof  
1440 CH2ClCHO chloroacetaldehyde ch2clcho  
1441 CH3COCl Acetyl Chloride ch3cocl  
1442 C2H4F2 1,2-difluoroethane c2h4f2  
1443 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1444 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1445 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1446 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1447 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1448 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1449 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1450 CH2CFCH3 2-fluoropropene 2fpro  
1451 CH2CHCH2F Allyl Fluoride allylf  
1452 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1453 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1454 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1455 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1456 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1457 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1458 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1459 CH2FCH2CH3 1-Fluoropropane prf1  
1460 CH3CHFCH3 2-Fluoropropane prf2  
1461 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1462 CH3CHClCH3 Propane, 2-chloro- prcl2  
1463 CH3CH2CH2Br n-propyl bromide prbr  
1464 CH3CHBrCH3 i-propyl bromide iprbr  
1465 C3H9O+ trimethyl oxonium cation c3h9o+  
1466 B5H9 pentaborane9 b5h9  
1467 C5H4 pentatetraene ptrene  
1468 C5H5 cyclopentadienyl radical c5h5  
1469 C5H5- cylopentadienyl anion c5h5-  
1470 C5H6 1,3-Cyclopentadiene c542927  
1471 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1472 C5H6 3-Penten-1-yne, (E)- c2004695  
1473 C5H6 3-Penten-1-yne, (Z)- c1574409  
1474 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1475 C5H6 Cyclopropylacetylene c6746947  
1476 C5H6 Propellane propellane  
1477 C5H7 1,3-pentadienyl radical pdyl  
1478 C5H7 cyclopentenyl radical cpyl  
1479 C5H8 1,2-Butadiene, 3-methyl- c598254  
1480 C5H8 1,2-Pentadiene c591957  
1481 C5H8 1,3-Butadiene, 2-methyl- c78795  
1482 C5H8 1,3-Pentadiene, (E)- c2004708  
1483 C5H8 1,3-Pentadiene, (Z)- c1574410  
1484 C5H8 1,4-Pentadiene c591935  
1485 C5H8 1-pentyne a1pentyne  
1486 C5H8 2,3-Pentadiene c591968  
1487 C5H8 Bicyclo[1.1.1]pentane bcp  
1488 C5H8 Cyclobutane, methylene- c1120565  
1489 C5H8 Cyclopentene c142290  
1490 C5H8 Ethenylcyclopropane c693867  
1491 CH3CCCH2CH3 2-Pentyne 2pentyne  
1492 C5H10 1-Butene, 2-methyl- c563462  
1493 C5H10 2-Butene, 2-methyl- c513359  
1494 C5H10 2-Pentene, (E)- c646048  
1495 C5H10 2-Pentene, (Z)- c627203  
1496 C5H10 Cyclopentane c287923  
1497 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1498 CH2CHCH2CH2CH3 1-pentene pentene  
1499 C5H11 2-Methylbut-2-yl radical c4348350  
1500 C5H12 Butane, 2-methyl- buta2  
1501 C5H12 Pentane pentane  
1502 C5H12 Propane, 2,2-dimethyl- neopentane  
1503 Si(CH3)4 tetramethylsilane tms  
1504 N2O3 Dinitrogen trioxide n2o3  
1505 C3H2N2 Malononitrile c3h2n2  
1506 CH2N4 1H-Tetrazole 1htz  
1507 C3H3N2 imidazolyl radical im  
1508 C3H3N2- imidizolyl anion im-  
1509 C2H3N3 1H-1,2,4-Triazole c288880  
1510 C4H4N pyrrolide radical c4h4n  
1511 C4H4N- pyrrolide anion c4h4n-  
1512 C3H4N2 1H-Imidazole 1himidaz  
1513 C3H4N2 1H-Pyrazole 1hpyraz  
1514 C3H4N2 2H-Imidazole imid2h  
1515 C3H4N2 4H-Imidazole imid4h  
1516 C4H5N (E)-2-Butenenitrile c627269  
1517 C4H5N (Z)-2-Butenenitrile c1190767  
1518 C4H5N 2H-pyrrole pyrrole2  
1519 C4H5N 3H-pyrrole pyrrole3  
1520 C4H5N Cyclopropanecarbonitrile c5500210  
1521 C4H5N Pyrrole pyrrole  
1522 CH2CHCH2CN Allylcyanide ch2chch2cn  
1523 C4H6N+ pyrrole, alpha-protonated appyr  
1524 C4H6N+ pyrrole, beta-protonated bppyr  
1525 C4H6N+ pyrrole, protonated ppyr  
1526 C3H6N2 3-Aminopropionitrile c151188  
1527 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1528 CH3CH2CH2CN Butanenitrile c109740  
1529 C5H8 Bicyclo[2.1.0]pentane c185944  
1530 C5H8 Spiropentane c157404  
1531 C4H9N Cyclobutylamine cbam  
1532 C4H9N Pyrrolidine pyrrolidine  
1533 C3H10N2 1,2-Diaminopropane diampr12  
1534 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1535 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1536 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1537 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1538 NH(C2H5)2 diethylamine dea  
1539 NC4H12+ tetramethyl ammonium cation nc4h12+  
1540 C3O2 Carbon suboxide c3o2  
1541 C3O2+ Carbon suboxide cation c3o2+  
1542 B2O3 diboron trioxide b2o3  
1543 MgCO3 Magnesium Carbonate mgco3  
1544 BeCO3 Beryllium Carbonate beco3  
1545 CaCO3 Calcium Carbonate caco3  
1546 ONONO Nitrosyl nitrite onono  
1547 PO4--- phosphate po4---  
1548 SO4-- sulfate so4--  
1549 HOONO2 peroxy nitric acid hoono2  
1550 HSO4- bisulfate anion hso4-  
1551 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1552 C3H2O2 Propiolic acid c3h2o2  
1553 CHOCOOH oxo acetic acid oaa  
1554 CHOOCHO diformyl ether choocho  
1555 H2SO4 Sulfuric acid h2so4  
1556 H2SeO4 Selenic acid h2seo4  
1557 C3H3NO Isoxazole isox  
1558 C3H3NO Oxazole oxazole  
1559 C3H3NS Thiazole thiazole  
1560 CH3C(O)OO acetyl peroxy radical ch3coo2  
1561 CH3NO3 Methyl nitrate ch3no3  
1562 H3PO4 Phosphoric Acid h3po4  
1563 C4H4O Furan furan  
1564 C4H4O+ Furan cation furan+  
1565 CH3COCCH 3-butyn-2-one c1423605  
1566 C4H4S Thiophene furans  
1567 C4H4Se selenophene c4h4se  
1568 C3H4O2 β–Propiolactone beta  
1569 C3H4O2 2-Propenoic acid propenoic2  
1570 C3H4O2 Methyl glyoxal megly  
1571 C3H4O2 propanedial propanedial  
1572 C3H4O2 propenalol propenalol  
1573 HOCHCCHOH allenediol aldiol  
1574 C2H4O3 1,2,3-trioxolane c2h4o3  
1575 C2H4O3 trioxolane124 triox  
1576 HOCH2COOH Hydroxyacetic acid hac  
1577 CH2CHCONH2 Acrylamide c79061  
1578 CH3OCH2CN Methoxyacetonitrile c1738369  
1579 CH5N3S Hydrazinecarbothioamide c79196  
1580 H2NCH2COOH Glycine glycine  
1581 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1582 C4H6O cis-2-butenal butenal2c  
1583 C4H6O Cyclobutanone cbutone  
1584 C4H6O Furan, 2,3-dihydro- furan23h  
1585 C4H6O Furan, 2,5-dihydro- furan25h  
1586 CH2CHOCHCH2 Vinyl ether vinylether  
1587 CHOCHCHCH3 2-Butenal butenal2  
1588 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1589 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1590 CH2CHSCHCH2 Divinyl sulfide divis  
1591 C2H6N2O Urea, methyl- c598505  
1592 C3H6O2 1,3-Dioxolane dioxolane  
1593 CH3CH2COOH Propanoic Acid propanoic  
1594 CH3COOCH3 methyl acetate aame  
1595 HCOOC2H5 Ethyl formate faee  
1596 C2H6O2S Dimethyl sulfone c67710  
1597 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1598 C3H7NO dimethylformamide dmf  
1599 C3H7NO Propanamide propanam  
1600 C2H3OC2H5 Ethene, ethoxy- c109922  
1601 C4H8O Cyclobutanol c2919235  
1602 C4H8O Furan, tetrahydro- thf  
1603 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1604 CH3COCH2CH3 2-Butanone buta2one  
1605 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1606 CHOCH2CH2CH3 Butanal butanal  
1607 C4H8S Thiophene, tetrahydro- tht  
1608 C3H8O2 1,3-Propanediol c504632  
1609 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1610 C3H8O2 Methane, dimethoxy- c109875  
1611 C3H8O2 Propylene glycol c57556  
1612 C3H8S2 1,3-Propanedithiol c109808  
1613 C4H10O 1-Butanol butanol1  
1614 C4H10O 1-Propanol, 2-methyl- c78831  
1615 C4H10O 2-Butanol, (.+/-.)- butanol2  
1616 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1617 C4H10O Ethoxy ethane etoet  
1618 C4H10O Methyl propyl ether meopr  
1619 C4H10O Propane, 2-methoxy- c598538  
1620 C4H10O+ 1-Butanol cation butanol1+  
1621 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1622 C2H5SC2H5 Diethyl sulfide etset  
1623 C4H9SH 1-Butanethiol bush  
1624 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1625 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1626 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1627 FNO3 Fluorine nitrate fno3  
1628 ClONO2 Chlorine nitrate clono2  
1629 BrONO2 Bromine nitrate brono2  
1630 TiCl4 Titanium tetrachloride ticl4  
1631 ClO4- perchlorate anion clo4-  
1632 BF4- tetrafluoroboron anion bf4-  
1633 ClFO3 Perchloryl fluoride clfo3  
1634 SO2F2 Sulfuryl fluoride so2f2  
1635 SO2Cl2 Sulfuryl chloride so2cl2  
1636 F3NO Nitrogen trifluoride oxide f3no  
1637 F3PO Phosphoryl fluoride pf3o  
1638 Cl3PO Phosphoryl chloride pcl3o  
1639 CF4 Carbon tetrafluoride cf4  
1640 CF3Cl Methane, chlorotrifluoro- cf3cl  
1641 SiF4 Silicon tetrafluoride sif4  
1642 CF2Cl2 difluorodichloromethane cf2cl2  
1643 TiF4 Titanium tetrafluoride tif4  
1644 CFCl3 Trichloromonofluoromethane cfcl3  
1645 CF3Br Bromotrifluoromethane cf3br  
1646 GeF4 Germanium tetrafluoride gef4  
1647 CCl4 Carbon tetrachloride ccl4  
1648 CCl4+ Carbon tetrachloride cation ccl4+  
1649 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1650 SiCl4 Silane, tetrachloro- sicl4  
1651 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1652 CF3I trifluoroiodomethane cf3i  
1653 CBrCl3 Methane, bromotrichloro- cbrcl3  
1654 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1655 GeCl4 Germanium Tetrachloride gecl4  
1656 CBr2ClF dibromochlorofluoromethane cbr2clf  
1657 CBr2Cl2 dibromodichloromethane cbr2cl2  
1658 CCl3I trichloroiodomethane ccl3i  
1659 CFBr3 fluorotribromomethane cfbr3  
1660 CFClBrI fluorochlorobromoiodomethane cfclbri  
1661 CBr3Cl tribromochloromethane cbr3cl  
1662 CF2I2 difluorodiiodomethane cf2i2  
1663 CBr4 Carbon tetrabromide cbr4  
1664 CCl2I2 dichlorodiiodomethane ccl2i2  
1665 SiBr4 Silicon tetrabromide sibr4  
1666 CBr3I tribromoiododmethane cbr3i  
1667 GeBr4 Germanium tetrabromide gebr4  
1668 CI4 tetraiodomethane ci4  
1669 SiI4 silicon tetraiodide sii4  
1670 ClOF3 Chlorine trifluoride oxide clof3  
1671 SF4 Sulfur tetrafluoride sf4  
1672 SeF4 Selenium tetrafluoride sef4  
1673 SCl4 Sulfur tetrachloride scl4  
1674 C2HF3 Trifluoroethylene c2hf3  
1675 C2HF3+ Trifluoroethylene cation c2hf3+  
1676 CHClCCl2 Trichloroethylene chclccl2  
1677 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1678 HClO4 perchloric acid hclo4  
1679 HSO3F Fluorosulfonic acid hso3f  
1680 CF3OH trifluoromethanol cf3oh  
1681 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1682 CHClCCHCl 1,3-dichloroallene chclcchcl  
1683 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1684 CHCl2CHO dichloroacetaldehyde chcl2cho  
1685 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1686 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1687 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1688 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1689 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1690 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1691 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1692 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1693 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1694 NH3BCl3 Amminetrichloroboron nh3bcl3  
1695 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1696 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1697 C3H5ClO Oxirane, (chloromethyl)- c106898  
1698 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1699 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1700 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1701 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1702 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1703 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1704 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1705 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1706 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1707 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1708 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1709 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1710 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1711 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1712 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1713 C4H9F 1-fluorobutane butaf1  
1714 CH3CHFCH2CH3 2-fluorobutane butaf2  
1715 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1716 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1717 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1718 XeF4 Xenon tetrafluoride xef4  
1719 C2H2N2O Furazan furazan  
1720 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1721 NH3BF3 Amminetrifluoroboron nh3bf3  
1722 C6H2 hexatriyne c6h2  
1723 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1724 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1725 C6H4 Benzyne benzyne  
1726 C6H5 phenyl phenyl  
1727 C6H5- phenyl anion phenyl-  
1728 C6H6 Prismane prismane  
1729 C6H6 1,2,4,5-Hexatetraene ht1245  
1730 C6H6 2,4-Hexadiyne hexadiyne  
1731 C6H6 3,4-Dimethylenecyclobutene cb34m  
1732 C6H6 Benzene benzene  
1733 C6H6 Benzvalene bv  
1734 C6H6 Dewar Benzene dewar  
1735 C6H6 Hexa-1,5-diene-3-yne hdy153  
1736 C6H6 Trimethylenecycopropane tmcp  
1737 C6H6+ Benzene cation c6h6+  
1738 C6H7+ benzene, protonated c6h7+  
1739 C6H8 (E)-hexa-1,3,5-triene c821078  
1740 C6H8 (E)-hexa-2,3,4-triene c59660650  
1741 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1742 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1743 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1744 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1745 C6H8 3-Methylenecyclopentene c930267  
1746 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1747 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1748 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1749 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1750 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1751 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1752 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1753 C6H10 1,5-Hexadiene c592427  
1754 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1755 C6H10 1-Hexyne hexyne1  
1756 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1757 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1758 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1759 C6H10 2-Hexyne c764352  
1760 C6H10 3-Hexyne hexyne3  
1761 C6H10 cyclohexene cyclohexene  
1762 C6H10 Cyclopentene, 1-methyl- c693890  
1763 C6H10 Cyclopentene, 3-methyl- c1120623  
1764 C6H10 Cyclopentene, 4-methyl- c1759815  
1765 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1766 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1767 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1768 C6H12 (E)-2-Hexene e2hexene  
1769 C6H12 (E)-3-methylpent-2-ene c616126  
1770 C6H12 (E)-hex-3-ene e3hexene  
1771 C6H12 (Z)-3-methylpent-2-ene c922623  
1772 C6H12 (Z)-hex-2-ene z2hexene  
1773 C6H12 (Z)-hex-3-ene z3hexene  
1774 C6H12 2,3-dimethylbut-1-ene c563780  
1775 C6H12 2,3-dimethyl-but-2-ene tmeet  
1776 C6H12 3-methylenepentane c760214  
1777 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1778 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1779 C6H12 Cyclohexane cyclohexane  
1780 C6H12 Cyclopentane, methyl- c96377  
1781 C6H12 Ethylcyclobutane c4806615  
1782 C6H12 hex-1-ene hexene1  
1783 C6H14 Butane, 2,2-dimethyl- buta22  
1784 C6H14 Butane, 2,3-dimethyl- buta23  
1785 C6H14 Hexane hexane  
1786 C6H14 Pentane, 2-methyl- penta2  
1787 C6H14 Pentane, 3-methyl- penta3  
1788 C4N2 2-Butynedinitrile c4n2  
1789 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1790 C4H2N2 Fumaronitrile c4h2n2  
1791 C2H2N4 sym-tetrazine ttz  
1792 C3H3N3 1,3,5-Triazine triazine135  
1793 CH3N5 5-Aminotetrazole c4418615  
1794 C4H4N2 1,3-Diazine diazine13  
1795 C4H4N2 Pyrazine pyrazine  
1796 C4H4N2 Pyridazine pyridazine  
1797 C4H4N2 Succinonitrile c110612  
1798 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1799 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1800 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1801 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1802 C5H5N E-2,4-pentadienenitrile bdcn  
1803 C5H5N Pyridine pyridine  
1804 B3N3H6 borazine borazine  
1805 C6H6 Fulvene fulvene  
1806 C5H6N+ Pyridinium c5h6n  
1807 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1808 C5H7N (E)-2-Pentenenitrile c26294984  
1809 C5H7N (E)-3-Pentenenitrile c16529661  
1810 C5H7N (Z)-2-Pentenenitrile c25899507  
1811 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1812 C5H7N Cyclobutanecarbonitrile c4426113  
1813 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1814 C5H9N Butanenitrile, 2-methyl- c18936179  
1815 C5H9N Pentanenitrile c110598  
1816 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1817 C6H10 Bicyclo[3.1.0]hexane c285585  
1818 C5H11N Cyclopentanamine cypentam  
1819 C5H11N Piperidine piper  
1820 C4H12N2 1,2-Butanediamine c4426486  
1821 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1822 Li2CO3 Lithium Carbonate li2co3  
1823 Na2CO3 Sodium Carbonate na2co3  
1824 C2O4-- oxalate anion c2o4  
1825 MgSO4 Magnesium Sulfate mgso4  
1826 N2O4 Dinitrogen tetroxide n2o4  
1827 C3H2O3 vinylene carbonate vica  
1828 C2H2O4 Oxalic Acid oxalic  
1829 C2H3NO3 Oxamic acid oxamic  
1830 C4H4O2 2(5H)-Furanone furanone  
1831 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1832 C2H4N2O2 Oxalamide oxalamide  
1833 C2H4N2S2 Ethanedithioamide c79403  
1834 C2H4CO3 Ethylene carbonate etco3  
1835 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1836 C3H4S3 1,3-Dithiolane-2-thione c822388  
1837 C2H4O4 Formic acid dimer fadimer  
1838 C4H5NO 3-Methylisoxazole isox3m  
1839 C4H5NO Isoxazole, 5-methyl- c5765446  
1840 C4H5NS 4-Methylthiazole c693958  
1841 C2H5NO3 Nitric acid, ethyl ester c625581  
1842 C5H6O 2H-Pyran pyran2  
1843 C5H6O 2-methylfuran furan2m  
1844 C5H6O 3-Methylfuran furan3m  
1845 C5H6O Pentadienal pdal  
1846 C5H6S Thiophene, 2-methyl- c554143  
1847 C5H6S Thiophene, 3-methyl- c616444  
1848 C4H6O2 γ–Butyrolactone c96480  
1849 C4H6O2 2,3-Butanedione c431038  
1850 C4H6O2 2-Propenoic acid, methyl ester c96333  
1851 C4H6O2 Crotonic Acid crot  
1852 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1853 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1854 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1855 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1856 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1857 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1858 C4H6OS Vinyl sulfoxide c1115157  
1859 CH6N4S Carbonothioic dihydrazide thiacarb  
1860 C2H6N2O2 (E)-Azodioxymethane c37765154  
1861 C2H6N2O2 Dimethylnitroamine c4164287  
1862 C3H6O3 1,3,5-Trioxane trioxane  
1863 C3H6S3 1,3,5-Trithiane c3h6s3  
1864 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1865 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1866 C4H7NO 2-Pyrrolidinone c616455  
1867 C4H7NO Ethoxyacetonitrile etoaccn  
1868 C4H7NO Methacrylamide c79390  
1869 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1870 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1871 C3H7ONO Propyl nitrite prono  
1872 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1873 CH3CH(NH2)COOH Alanine alanine  
1874 CH3NHCH2COOH Sarcosine sarcosine  
1875 NH2CH2CH2COOH β–alanine betaalanine  
1876 NH2COOC2H5 Urethane urethane  
1877 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1878 C5H8O Cyclopentanone c120923  
1879 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1880 C5H8O Methyl cyclopropyl ketone c765435  
1881 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1882 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1883 NH2CONHC2H5 Urea, ethyl- c625525  
1884 C4H8O2 1,3-Dioxane dioxan13  
1885 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1886 C4H8O2 1,4-Dioxane dioxan14  
1887 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1888 C4H8O2 Ethyl acetate c141786  
1889 C4H8OS s-Ethyl thioacetate c625605  
1890 C3H8O3 1,2,3-Propanetriol glycerin  
1891 C3H8O2S (Methylsulfonyl)ethane c594434  
1892 C4H9NO Butanamide c541355  
1893 C4H9NO Propanamide, 2-methyl- c563837  
1894 C5H10O 2-Butanone, 3-methyl- c563804  
1895 C5H10O 2H-Pyran, tetrahydro- c142687  
1896 C5H10O 2-methylbutyraldehyde 2meba  
1897 C5H10O 2-Pentanone mpk  
1898 C5H10O 3-Pentanone dek  
1899 C5H10O Cyclopentanol c96413  
1900 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1901 C5H10O Pentanal pal  
1902 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1903 C5H10S 3-Ethylthio-1-propene c5296628  
1904 C5H10S Cyclopentanethiol c1679078  
1905 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1906 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1907 C4H10O2 1,1-Dimethoxyethane c534156  
1908 C4H10O2 1,3-Butanediol budiol13  
1909 C4H10O2 1,4-Butanediol budiol14  
1910 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1911 C4H10OS Diethyl sulfoxide c70291  
1912 C4H10S2 1,4-Butanedithiol budisl14  
1913 C4H11NO Diethylhydroxylamine c3710847  
1914 C5H12O 1-Butanol, 2-methyl- c137326  
1915 C5H12O 1-Butanol, 3-methyl- c123513  
1916 C5H12O 1-Pentanol pentanol1  
1917 C5H12O 2-Butanol, 3-methyl- c598754  
1918 C5H12O 2-Pentanol peol2  
1919 C5H12O 3-Pentanol pentan3ol  
1920 C5H12O Butane, 1-methoxy- meobu  
1921 C5H12O Propane, 1-ethoxy- proet  
1922 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1923 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1924 C5H12S 1-Butanethiol, 3-methyl- c541311  
1925 C5H12S 1-Pentanethiol c110667  
1926 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1927 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1928 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1929 C5H12S Butane, 1-(methylthio)- c628295  
1930 C5H12S Ethyl propyl sulfide c4110503  
1931 C5H12S Propane, 2-(ethylthio)- c5145993  
1932 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1933 C4F2 difluorobutadiyne c4f2  
1934 ClCOClCO Oxalyl chloride oxcl  
1935 CF3CN Acetonitrile, trifluoro- cf3cn  
1936 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1937 B2F4 Diboron tetrafluoride b2f4  
1938 B2Cl4 Diboron tetrachloride b2cl4  
1939 C2F4 Tetrafluoroethylene c2f4  
1940 C2F4+ Tetrafluoroethylene cation c2f4+  
1941 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1942 CF2CCl2 difluorodichloroethylene cf2ccl2  
1943 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1944 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1945 C2FCl3 fluorotrichloroethene c2fcl3  
1946 C2Cl4 Tetrachloroethylene c2cl4  
1947 C2Br4 tetrabromoethene c2br4  
1948 CF3OF Trifluoromethylhypofluorite cf3of  
1949 SOF4 Sulfur tetrafluoride oxide sof4  
1950 PF5 Phosphorus pentafluoride pf5  
1951 AsF5 Arsenic pentafluoride asf5  
1952 PCl5 Phosphorus pentachloride pcl5  
1953 SF5 Sulfur pentafluoride sf5  
1954 SF5+ pentafluoro sulfur cation sf5+  
1955 SbCl5 Antimony pentachloride sbcl5  
1956 BrF5 bromine pentafluoride brf5  
1957 ClF5 chlorinepentafluoride clf5  
1958 IF5 pentafluoroiodine if5  
1959 CF3CHO trifluoroacetaldehyde cf3cho  
1960 CCl3CHO trichloroacetaldehyde ccl3cho  
1961 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1962 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1963 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1964 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1965 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1966 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1967 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1968 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1969 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1970 CF3COOH trifluoroacetic acid cf3cooh  
1971 C4H3ClO Furan, 2-chloro fur2cl  
1972 C4H3ClO Furan,3-chloro fur3cl  
1973 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1974 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1975 C4H8Cl2 1,4-Dichlorobutane c110565  
1976 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1977 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1978 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1979 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1980 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1981 C5H11Cl Pentane, 1-chloro- pencl1  
1982 C4H8O2 Butanoic acid bua  
1983 C6H5CH2 benzyl radical benzyl  
1984 C7H7 cycloheptatrienyl radical c7h7  
1985 C7H7+ cycloheptatrienyl cation c7h7+  
1986 C6H5CH3 toluene toluene  
1987 C7H8 cycloheptatriene cht  
1988 C7H8 Norbornadiene norbor  
1989 C7H8 Quadricyclane qucy  
1990 C7H12 Norbornane nor  
1991 C7H14 cycloheptane c7h14  
1992 C7H16 2-methylhexane 2mhex  
1993 C7H16 3-methylhexane hex3m  
1994 C7H16 heptane heptane  
1995 CH(CN)3 tricyanomethane mecn3  
1996 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1997 C6H7N 2-Methylpyridine mp  
1998 C6H5NH2 aniline aniline  
1999 C6H13N 2-Methylpiperidine pip2m  
2000 C6H13N cyclohexanamine cham  
2001 C6H15N triethylamine tea  
2002 N2O5 Dinitrogen pentoxide n2o5  
2003 C4H2O3 Maleic Anhydride malan  
2004 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2005 C5H4O2 furfural furfural  
2006 C6H5O phenoxy radical phenoxy  
2007 C5H5NO 2(1H)-Pyridinone c72762006  
2008 C5H5NO 2(3H)-Pyridinone c9000048  
2009 C5H5NO 2(5H)-Pyridinone c9000037  
2010 C5H5NO 2-Pyridinol c109104  
2011 C5H5NO 3(2H)-Pyridinone c9000004  
2012 C5H5NO 3(4H)-Pyridinone c9000026  
2013 C5H5NO 3(6H)-Pyridinone c9000015  
2014 C5H5NO 3-Pyridinol c109002  
2015 C5H5NO 4(1H)-Pryidinone c9000060  
2016 C5H5NO 4(3H)-Pryidinone c9000059  
2017 C5H5NO 4-Pyridinol c626642  
2018 C6H5OH phenol phenol  
2019 C6H6O 2,4-Cyclohexadienone c24599573  
2020 C6H6O 2,5-Cyclohexadienone c5664335  
2021 C6H5SH Benzenethiol phsh  
2022 HO2CCHNH2CH2OH Serine serine  
2023 C5H8O2 Acetylacetone acac  
2024 C4H8O2S Sulfolane sulfolane  
2025 C7H10 Norbornene norbornene  
2026 CH(C2H3)3 trivinyl methane tvm  
2027 C6H10O cyclohexanone chexo  
2028 C6H12O hexanal c6h12o  
2029 C6H12O Oxepane oxepane  
2030 C3H7OC3H7 di-n-propyl ether propr  
2031 F2CCCF2 tetrafluoroallene pfa  
2032 CF3COO- trifluoro acetate anion cf3coo-  
2033 CF3COF trifluoroacetyl fluoride cf3cof  
2034 CF3COCl trifluoroacetyl chloride cf3cocl  
2035 PF6 Hexafluorophosphate neutral pf6  
2036 PF6- Hexafluorophosphate ion pf6-  
2037 SF6 Sulfur Hexafluoride sf6  
2038 SeF6 Selenium hexafluoride sef6  
2039 SF5Cl sulfur chloropentafluoride sf5cl  
2040 CF3CHF2 pentafluoroethane cf3chf2  
2041 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2042 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2043 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2044 CCl3CHCl2 pentachloroethane ccl3chcl2  
2045 C6H5F Fluorobenzene bzf  
2046 C6H5Cl chlorobenzene bzcl  
2047 C6H5Br bromobenzene bzbr  
2048 C8H6 Calicene calicene  
2049 C6H5CCH phenylacetylene phac  
2050 C8H6 benzocyclobutadiene bcbd  
2051 C8H6 Pentalene pentalene  
2052 C6H5CHCH2 Styrene styrene  
2053 C8H8 cubane cubane  
2054 C8H8 cyclooctatetraene cot  
2055 C6H5CH2CH3 Ethylbenzene etbz  
2056 CH3C6H4CH3 meta-xylene mxylene  
2057 CH3C6H4CH3 paraxylene pxylene  
2058 C8H14 Bicyclo[2.2.2]octane bico222  
2059 C8H16 cyclooctane cyclooct  
2060 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2061 C8H18 Octane c8h18  
2062 C6H5CN phenyl cyanide phcn  
2063 C6H12N2 Triethylenediamine ted  
2064 C4O4-- squarate dianion c4o4--  
2065 S4N4 Tetrasulfur tetranitride s4n4  
2066 S8 Octasulfur s8  
2067 C6H4O2 parabenzoquinone pbq  
2068 C4H4N2O2 Uracil uracil  
2069 C6H5CHO benzaldehyde benzal  
2070 C6H5OCH3 Anisole anisole  
2071 C5H9NO2 Proline proline  
2072 C6H12O2 Methyl pivalate c598981  
2073 C6H12O2 Hexanoic acid hexa  
2074 C4F4 tetrafluorcyclobutadiene c4f4  
2075 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2076 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2077 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2078 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2079 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2080 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2081 C2F6 hexafluoroethane c2f6  
2082 C2Cl6 hexachloroethane c2cl6  
2083 IF7 Iodine heptafluoride if7  
2084 C6H4F2 metadifluorobenzene mdfb  
2085 C6H4F2 orthodifluorobenzene odfb  
2086 C6H4F2 1,4-difluorobenzene pdfb  
2087 C6H4Cl2 1,2-dichlorobenzene dcb12  
2088 C6H4Cl2 1,3-dichlorobenzene dcb13  
2089 C6H4Cl2 1,4-dichlorobenzene dcb14  
2090 C6H5NO nitrosobenzene bzno  
2091 C9H8 Indene indene  
2092 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2093 C9H12 n-propyl benzene prbz  
2094 C9H20 Nonane nonane  
2095 C(CN)4 tetracyanomethane c5n4  
2096 C5H4N4 purine purine  
2097 C8H7N Indole indole  
2098 C3H3N3O3 cyanuric acid cyanuric  
2099 C6H5NO2 Nitrobenzene c6h5no2  
2100 C6H5COOH benzoic acid benzo  
2101 CH3COC6H5 acetophenone acph  
2102 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2103 C3F6 hexafluoropropene c3f6  
2104 C6H3F3 Benzene trifluoride 123 bzf3a  
2105 C8H18O 1-Octanol octanol  
2106 C10H8 Azulene azu  
2107 C10H8 naphthalene naph  
2108 C10H10 bullvalene bullv  
2109 C10H16 adamantane adamantane  
2110 C6N4 Tetracyanoethylene tcne  
2111 C6N4- tetracyanoethylene anion tcne-  
2112 C10H22 Decane decane  
2113 C4F6 perfluorobutadiene c4f6  
2114 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2115 C3F8 perfluoropropane c3f8  
2116 Fe(CO)5 Iron pentacarbonyl ipc  
2117 Fe(C5H5)2 ferrocene fecp2  
2118 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2119 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2120 C12H8 Acenaphthylene acenaph  
2121 C12H8 biphenylene biph  
2122 C12H10 biphenyl biphenyl  
2123 C12H10 Heptalene heptalene  
2124 C6H12O6 Inositol inositol  
2125 C6F6 hexafluorobenzene c6f6  
2126 S2F10 disulphur decafluoride s2f10  
2127 C13H10 Fluorene fluorene  
2128 C14H10 Anthracene anth  
2129 C14H10 Phenanthrene phenanthrene  
2130 C14H14 Bibenzyl bibenzyl  
2131 C12H10N2 azobenzene azobenzene  
2132 C6H5COC6H5 benzophenone benzophenone  
2133 C16H10 Pyrene pyrene  
2134 C18H12 Tetracene tetracene  
2135 C19H16 Triphenylmethane tpm  
2136 C24H12 Coronene coronene  
2137 C60 Buckminsterfullerene c60