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

List of which calculations are completed at PBE1PBE /aug-cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 Si Silicon atom 3PKh
2 SiH2 silicon dihydride 1A1C2v
3 SiH2 silicon dihydride 3B1C2v
4 SiH3 Silyl radical 2A1C3v
5 SiH4 Silane 1A1Td
6 P Phosphorus atom 4SKh
7 PH3 Phosphine 1A1C3v
8 PH4+ phosphonium cation   
9 S Sulfur atom 3PKh
10 HS Mercapto radical 2ΠC∞v
11 H2S Hydrogen sulfide 1A1C2v
12 H2S+ Hydrogen sulfide cation 2B1C2v
13 H3S+ Sulfonium cation 1A1C3v
14 Cl Chlorine atom 2PKh
15 HCl Hydrogen chloride 1ΣC∞v
16 BAl Boron Aluminum 3ΣC∞v
17 AlC Aluminum carbide 4ΣC∞v
18 Si2H6 disilane 1EuD3d
19 P2 Phosphorus diatomic 1ΣgD∞h
20 CH2PH Phosphaethene 1A'Cs
21 LiS Lithium monosulfide 2ΠC∞v
22 LiS+ Lithium sulfide cation 3ΣC∞v
23 NaS Sodium sulfide 2ΠC∞v
24 SiO Silicon monoxide 1ΣC∞v
25 SiS silicon monosulfide 1ΣC∞v
26 GeO Germanium monoxide 1ΣC∞v
27 NS Mononitrogen monosulfide 2ΠC∞v
28 PO Phosphorus monoxide 2ΠC∞v
29 PS phosphorus sulfide 2ΣC∞v
30 SO Sulfur monoxide 3ΣC∞v
31 SO Sulfur monoxide 1ΣC∞v
32 HBS hydrogen boron sulfide 1ΣC∞v
33 H2CS Thioformaldehyde 1A1C2v
34 H2S2 Disulfane 1AC2
35 H2S2+ hydrogen disulfide cation 2BgC2h
36 H3PO Phosphine oxide 1A1C3v
37 CH3SH Methanethiol 1A'Cs
38 CH3SH2+ protonated methylsulfide 1A'Cs
39 LiCl lithium chloride 1ΣC∞v
40 AlF Aluminum monofluoride 1Σ+C∞v
41 AlCl Aluminum monochloride 1ΣC∞v
42 GeCl+ Germanium monochloride cation   
43 NCl nitrogen monochloride 3ΣC∞v
44 SF Monosulfur monofluoride 2ΠC∞v
45 SCl sulfur monochloride 2ΠC∞v
46 SCl+ sulfur monochloride cation 3ΣgC∞v
47 Cl2- chlorine diatomic anion 2ΣuD∞h
48 Cl2+ chlorine diatomic cation 2ΠgD∞h
49 CH3Cl Methyl chloride 1A1C3v
50 SiH3F monofluorosilane 1A1C3v
51 SiH3Cl chlorosilane 1A1C1
52 Si3H8 trisilane   
53 Li2S dilithium sulfide 1ΣGD∞h
54 Li2S dilithium sulfide 1A1C2v
55 Na2S Sodium sulfide   
56 Na2S Sodium sulfide   
57 NNS Nitrogen sulfide 1ΣC∞v
58 OCS Carbonyl sulfide 1ΣC∞v
59 SO2 Sulfur dioxide 1A1C2v
60 S3+ Sulfur trimer cation 2B2C2v
61 CH2CS Thioketene   
62 HSSSH trisulfane 1AC2
63 HSSSH trisulfane 1A'Cs
64 ClNO Nitrosyl chloride 1A'Cs
65 OPCl Phosphorus oxychloride   
66 SiF2 Silicon difluoride 1A1C2v
67 OClO Chlorine dioxide 2B1D∞h
68 ClSO Sulfur chloride oxide 2A"Cs
69 FClO chlorosyl fluoride 1A'Cs
70 ClOF Chlorine hypofluorite 1A'Cs
71 SF2 sulfur difluoride 1A1C2v
72 SCl2 Sulfur dichloride 1A1C2v
73 SiH2F2 difluorosilane   
74 SiH2Cl2 dichlorosilane 1A1C2v
75 S2N2 Disulfur dinitride 1AGD2h
76 SO3 Sulfur trioxide 1A1'D3h
77 ClO2F Chloryl fluoride 1A'Cs
78 F2SO Thionyl Fluoride 1A'Cs
79 ClF3 Chlorine trifluoride 1A1C2v
80 SiHF3 trifluorosilane   
81 SiH3CCl3 (trichloromethyl)silane 1A1C3v
82 SiF5- silicon pentafluoride anion   
83 PF6- Hexafluorophosphate ion 1A1GOh
84 SF5Cl sulfur chloropentafluoride 1A1C4v
85 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si- Silicon atom 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 anion sih2-  
131 SiH2+ silicon dihydride cation sih2+  
132 GeH2 germylene geh2  
133 GeH2- germylene anion geh2-  
134 CH3 Methyl radical ch3  
135 CH3- methyl anion ch3-  
136 CH3+ methyl cation ch3+  
137 SiH3- Silyl anion sih3-  
138 SiH3+ Silyl cation sih3+  
139 GeH3 Germyl radical geh3  
140 GeH3+ germyl cation geh3+  
141 CD4 methane-d4 cd4  
142 CH2D2 methane-d2 ch2d2  
143 CH3D methane-d ch3d  
144 CH4 Methane ch4  
145 CH4- Methane anion ch4-  
146 CH4+ Methane cation ch4+  
147 CHD3 methane-d3 chd3  
148 SiH2D2 silane-d2 sih2d2  
149 SiH4+ Silane cation sih4+  
150 GeH4 Germane geh4  
151 SnH4 Stannane snh4  
152 SiH5+ Silane, protonated sih5+  
153 N Nitrogen atom n  
154 N- Nitrogen atom anion n-  
155 N+ Nitrogen atom cation n+  
156 P- Phosphorus atom anion p-  
157 P+ Phosphorus atom cation p+  
158 V Vanadium atom v  
159 V+ Vanadium atom cation v+  
160 As Arsenic atomic as  
161 As- Arsenic anion as-  
162 As+ Arsenic cation as+  
163 Sb Antimony atom sb  
164 NH Imidogen nh  
165 NH- Imidogen anion nh-  
166 NH+ imidogen cation nh+  
167 PH phosphorus monohydride ph  
168 PH- phosphorus monohydride anion ph-  
169 PH+ phosphorus monohydride cation ph+  
170 AsH Arsenic monohydride ash  
171 AsH+ Arsenic monohydride cation ash+  
172 SbH Antimony monohydride sbh  
173 ND2 Amidogen-d2 nd2  
174 NH2 Amino radical nh2  
175 NH2- amino anion nh2-  
176 NH2+ Amino cation nh2+  
177 PH2 Phosphino radical ph2  
178 PH2- Phosphino anion ph2-  
179 PH2+ Phosphino cation ph2+  
180 AsH2 Arsenic dihydride ash2  
181 AsH2+ Arsenic dihydride cation ash2+  
182 ND3 Ammonia-d3 nd3  
183 NH3 Ammonia nh3  
184 NH3- Ammonia anion nh3-  
185 NH3+ ammonia cation nh3+  
186 PH3+ Phosphine cation ph3+  
187 AsH3 Arsine ash3  
188 AsH3+ Arsine cation ash3+  
189 SbH3 Stibine sbh3  
190 AsH4+ Arsonium ash4+  
191 NH4 Ammonium radical nh4  
192 NH4+ ammonium cation nh4+  
193 PH4 Phosphoranyl radical ph4  
194 O Oxygen atom o  
195 O- Oxygen atom anion o-  
196 O+ Oxygen atom cation o+  
197 S- Sulfur atom anion s-  
198 S+ Sulfur atom cation s+  
199 Cr Chromium atom cr  
200 Se Selenium atom se  
201 Se- Selenium atom anion se-  
202 Se+ Selenium atom cation se+  
203 Te Tellurium atom te  
204 Te+ Tellurium atom cation te+  
205 DO Hydroxyl-d od  
206 OH Hydroxyl radical oh  
207 OH- hydroxide anion oh-  
208 OH+ hydoxyl cation oh+  
209 DS Mercapto-d ds  
210 HS- mercapto anion sh-  
211 HS+ sulfur monohydride cation sh+  
212 CrH Chromium hydride crh  
213 CrH+ Chromium hydride cation crh+  
214 HSe Selenium monohydride hse  
215 HSe- selenium monohydride anion hse-  
216 HSe+ selenium monohydride cation hse+  
217 TeH Telluryl radical teh  
218 D2O Deuterium oxide d2o  
219 H2O Water h2o  
220 H2O- water anion h2o-  
221 H2O+ water cation h2o+  
222 HDO Water-d1 hdo  
223 D2S Hydrogen sulfide-d2 d2s  
224 H2S- Hydrogen sulfide anion h2s-  
225 H2Se Hydrogen selenide h2se  
226 H2Se+ Hydrogen selenide cation h2se+  
227 H2Te Hydrogen Telluride h2te  
228 H3O+ hydronium cation h3o+  
229 H3Se+ Hydrogen Selenide, protonated h3se+  
230 F Fluorine atom f  
231 F- Fluorine atom anion f-  
232 F+ Fluorine atom cation f+  
233 Cl- Chlorine atom anion cl-  
234 Cl+ Chlorine atom cation cl+  
235 Mn Manganese atom mn  
236 Br Bromine atom br  
237 Br- Bromine atom anion br-  
238 Br+ Bromine atom cation br+  
239 I Iodine atom iodine  
240 I- Iodine atom anion iodine-  
241 I+ Iodine atom cation iodine+  
242 DF Hydrofluoric acid-d df  
243 HF Hydrogen fluoride hf  
244 HF- hydrogen fluoride anion hf-  
245 HF+ hydrogen fluoride cation hf+  
246 DCl Hydrochloric acid-d dcl  
247 HCl- hydrogen chloride anion hcl-  
248 HCl+ hydrogen chloride cation hcl+  
249 HBr hydrogen bromide hbr  
250 HBr- hydrogen bromide anion hbr-  
251 HBr+ hydrogen bromide cation hbr+  
252 HI Hydrogen iodide hi  
253 HI+ Hydrogen iodide cation hi+  
254 H2F+ dihydrogen fluoride cation h2f+  
255 H2Cl+ dihydrogen monochloride cation h2cl+  
256 H2Br+ protonated hydrogen bromide h2br+  
257 H2I+ Iodonium h2i+  
258 Ne Neon atom ne  
259 Ne- Neon atom anion ne-  
260 Ne+ Neon atom cation ne+  
261 Ar Argon atom ar  
262 Ar- Argon atom anion ar-  
263 Ar+ Argon atom cation ar+  
264 Fe Iron atom fe  
265 Kr Krypton atom kr  
266 Kr+ Krypton cation kr+  
267 Xe Xenon atom xe  
268 HeLi+ Helium Lithium cation heli+  
269 NeH neon hydrogen neh  
270 NeH+ neon hydrogen cation neh+  
271 ArH+ Argon hydride cation arh+  
272 KrH+ Protonated Krypton krh+  
273 XeH+ Xenon, protonated xeh+  
274 H2Ar H2 Ar dimer h2ar  
275 Co Cobalt atom cobalt  
276 Ni Nickel atom ni  
277 Li2 Lithium diatomic li2  
278 Li2- lithium diatomic anion li2-  
279 Li2+ lithium diatomic cation li2+  
280 NaLi lithium sodium lina  
281 NaLi- lithium sodium anion lina-  
282 NaLi+ lithium sodium cation lina+  
283 LiK Lithium Potassium lik  
284 Na2 Sodium diatomic na2  
285 Na2- sodium diatomic anion na2-  
286 Na2+ sodium diatomic cation na2+  
287 NaK Sodium Potassium nak  
288 NaK+ Sodium Potassium diatomic cation nak+  
289 K2 Potassium diatomic k2  
290 Cu2 Copper diatomic cu2  
291 LiBe Lithium Beryllium libe  
292 LiMg Lithium magnesium limg  
293 NaBe Sodium Beryllium nabe  
294 NaMg Sodium Magnesium namg  
295 Be2 Beryllium diatomic be2  
296 Be2- Beryllium diatomic anion be2-  
297 Be2+ Beryllium diatomic cation be2+  
298 BeMg Beryllium Magnesium bemg  
299 Mg2 Magnesium diatomic mg2  
300 Mg2- magnesium diatomic anion mg2-  
301 Mg2+ magnesium diatomic cation mg2+  
302 Ca2 Calcium diatomic ca2  
303 LiB Lithium boride lib  
304 LiAl Lithium Aluminum lial  
305 NaAl Sodium aluminum naal  
306 BeB Beryllium monoboride beb  
307 B2 Boron diatomic b2  
308 B2- Boron diatomic anion b2-  
309 B2+ Boron diatomic cation b2+  
310 Al2 Aluminum diatomic al2  
311 Al2- aluminum diatomic anion al2-  
312 Al2+ aluminum diatomic cation al2+  
313 BGa Boron Gallium bga  
314 AlGa Aluminum Gallium alga  
315 Ga2 Gallium diatomic ga2  
316 HBBH Diborane(2) hbbh  
317 LiBH4 Lithium borohydride libh4  
318 B2H4 Diborane(4) D2d b2h4  
319 HBHHBH Diborane(4) C2V hbhhbh  
320 B2H6 Diborane b2h6  
321 B2H6+ Diborane cation b2h6  
322 Al2H6 dialane al2h6  
323 Ga2H6 digallane ga2h6  
324 LiC Lithium Carbide lic  
325 BeC Beryllium Carbide bec  
326 CaC Calcium monocarbide cac  
327 BC boron monocarbide bc  
328 BC- boron monocarbide anion bc-  
329 BC+ boron monocarbide cation bc+  
330 BSi Boron silicide bsi  
331 C2 Carbon diatomic c2  
332 C2- carbon diatomic anion c2-  
333 C2+ carbon diatomic cation c2+  
334 SiC silicon monocarbide sic  
335 SiC- silicon monocarbide anion sic-  
336 SiC+ silicon monocarbide cation sic+  
337 Si2 Silicon diatomic si2  
338 Si2- silcon diatomic anion si2-  
339 Si2+ silcon diatomic cation si2+  
340 GeC Germanium monocarbide gec  
341 SiGe Silicon Germanium sige  
342 Ge2 Germanium diatomic ge2  
343 C2H Ethynyl radical c2h  
344 C2H- Ethynyl anion c2h-  
345 C2H+ Ethynyl cation c2h+  
346 ZnCH2 Zinc methylene znch2  
347 C2H2 Acetylene c2h2  
348 C2H2+ acetylene cation c2h2+  
349 CCH2 vinylidene vinylidene  
350 H2CC- vinylidene anion h2cc-  
351 HCCH- acetylene anion c2h2-  
352 Si2H2 disilyne si2h2  
353 CH3Li methyl lithium ch3li  
354 CuCH3 monomethyl copper cuch3  
355 ZnCH3 Zinc monomethyl znch3  
356 CH2BH methyleneborane ch2bh  
357 C2H3 vinyl c2h3  
358 C2H3- vinyl anion c2h3-  
359 C2H3+ vinyl cation c2h3+  
360 C2H4 Ethylene c2h4  
361 C2H4- Ethylene anion c2h4-  
362 C2H4+ Ethylene cation c2h4+  
363 CH3CH methylmethylene ch3ch  
364 CH2SiH2 silaethylene ch2sih2  
365 Si2H4 Disilene si2h4  
366 CH3BH2 methylborane ch3bh2  
367 C2H5 Ethyl radical c2h5  
368 C2H5- Ethyl anion c2h5-  
369 C2H5+ Ethyl cation c2h5+  
370 C2H6 Ethane c2h6  
371 C2H6+ ethane cation c2h6+  
372 CH3SiH3 methyl silane ch3sih3  
373 GeH3CH3 methyl germane geh3ch3  
374 C2H7+ Ethane, protonated c2h7+  
375 LiN Lithium Nitride lin  
376 LiN+ Lithium Nitride cation lin+  
377 LiP Lithium monophosphide lip  
378 BeN Beryllium mononitride ben  
379 BeN- Beryllium mononitride anion ben-  
380 BeN+ Beryllium mononitride cation ben+  
381 MgN Magnesium Nitride mgn  
382 BN- boron nitride anion bn-  
383 AlN- aluminum mononitride anion aln-  
384 AlN+ aluminum mononitride cation aln+  
385 BP Boron monophosphide bp  
386 AlP Aluminum monophosphide alp  
387 GaN Gallium mononitride gan  
388 GaP Gallium monophosphide gap  
389 GaAs Gallium arsenide gaas  
390 BN boron nitride bn  
391 BN+ boron nitride cation bn+  
392 AlN Aluminum nitride aln  
393 CN Cyano radical cn  
394 CN- cyanide anion cn-  
395 CN+ Cyano cation cn+  
396 CP Carbon monophosphide cp  
397 CP- carbon monophosphide anion cp-  
398 CP+ carbon monophosphide cation cp+  
399 SiN Silicon nitride sin  
400 SiN- silicon mononitride anion sin-  
401 SiN+ silicon mononitride cation sin+  
402 SiP Silicon monophosphide sip  
403 SiP- Silicon monophosphide anion sip-  
404 SiP+ Silicon monophosphide cation sip+  
405 TiN Titanium mononitride tin  
406 N2 Nitrogen diatomic n2  
407 N2- nitrogen diatomic anion n2-  
408 N2+ diatomic nitrogen cation n2+  
409 PN Phosphorus mononitride pn  
410 PN- phosphorus nitride anion pn-  
411 PN+ phosphorus nitride cation pn+  
412 P2- phosphorus diatomic anion p2-  
413 P2+ phosphorus diatomic cation p2+  
414 AsN Arsenic mononitride asn  
415 AsP Arsenic monophosphide asp  
416 SbN Antimony nitride sbn  
417 As2 Arsenic diatomic as2  
418 HNB hydrogen nitrogen boron hnb  
419 HNC hydrogen isocyanide hnc  
420 HCN Hydrogen cyanide hcn  
421 HCN- Hydrogen cyanide anion hcn-  
422 HCN+ hydrogen cyanide cation hcn+  
423 HNC+ hydrogen isocyanide cation hnc+  
424 HCP Phosphaethyne hcp  
425 HCP+ Phosphaethyne cation hcp+  
426 NNH Dinitrogen monohydride nnh  
427 NNH+ Dinitrogen monohydride cation 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 BH2NH2 Boranamine bh2nh2  
447 CH2NH2+ methyleneamine cation ch2nh2+  
448 N2H4 Hydrazine n2h4  
449 N2H4+ hydrazine cation n2h4+  
450 P2H4 Diphosphine p2h4  
451 CH3NH2 methyl amine ch3nh2  
452 CH3NH2+ methyl amine cation ch3nh2+  
453 CH3PH2 Methyl phosphine ch3ph2  
454 SiH3NH2 Silane, amino sih3nh2  
455 N2H5+ protonated hydrazine n2h5+  
456 BH3PH3 borane phosphine bh3ph3  
457 BH3NH3 borane ammonia bh3nh3  
458 CH3NH3 methyl ammonium radical ch3nh3  
459 CH3NH3+ protonated methylamine ch3nh3+  
460 CH3PH3+ methyl phosphine, protonated ch3ph3+  
461 NH3NH3 Ammonia Dimer nh3nh3  
462 N2H7+ ammonia ammonium dimer n2h7+  
463 LiO lithium oxide lio  
464 LiO- lithium oxide anion lio-  
465 LiO+ lithium oxide cation lio+  
466 NaO sodium monoxide nao  
467 NaO- sodium oxide anion nao-  
468 NaO+ sodium oxide cation nao+  
469 KO Potassium monoxide ko  
470 KO+ Potassium monoxide cation ko+  
471 CuO Copper Monoxide cuo  
472 LiSe Lithium monoselenide lise  
473 BeO beryllium oxide beo  
474 BeO- Beryllium monoxide anion beo-  
475 BeO+ Beryllium monoxide cation beo+  
476 BeS beryllium sulfide bes  
477 MgO magnesium oxide mgo  
478 MgO- magnesium oxide anion mgo-  
479 MgO+ magnesium oxide cation mgo+  
480 CaO Calcium monoxide cao  
481 MgS magnesium sulfide mgs  
482 MgS- magnesium sulfide anion mgs-  
483 MgS+ magnesium sulfide cation mgs+  
484 CaS Calcium sulfide cas  
485 ZnO zinc monoxide zno  
486 ZnS Zinc sulfide zns  
487 BeS- Beryllium monosulfide anion bes-  
488 BeS+ Beryllium monosulfide cation bes+  
489 BO boron monoxide bo  
490 BO- boron monoxide anion bo-  
491 AlO Aluminum monoxide alo  
492 AlO- Aluminum monoxide anion alo-  
493 AlO+ aluminum monoxide cation alo+  
494 BS boron sulfide bs  
495 BS- boron monosulfide anion bs-  
496 BS+ boron monosulfide cation bs+  
497 AlS Aluminum sulfide als  
498 AlS- aluminum monosulfide anion als-  
499 AlS+ aluminum monosulfide cation als+  
500 ScO Scandium monoxide sco  
501 GaO Gallium monoxide gao  
502 GaS Gallium monosulfide gas  
503 BO+ boron monoxide cation bo+  
504 CO Carbon monoxide co  
505 CO- carbon monoxide anion co-  
506 CO+ carbon monoxide cation co+  
507 CS carbon monosulfide cs  
508 CS- carbon monosulfide anion cs-  
509 CS+ carbon monosulfide cation cs+  
510 SiO- silicon monoxide anion sio-  
511 SiO+ silicon monoxide cation sio+  
512 SiS- silicon monosulfide anion sis-  
513 SiS+ silicon monosulfide cation sis+  
514 TiO Titanium monoxide tio  
515 CSe Carbon monoselenide cse  
516 CSe- Carbon monoselenide anion cse-  
517 CSe+ Carbon monoselenide cation cse+  
518 GeO+ Germanium monoxide cation geo+  
519 GeS Germanium monosulfide ges  
520 SiSe Silicon Monoselenide sise  
521 SiSe+ Silicon Monoselenide cation sise+  
522 GeSe Germanium monoselenide gese  
523 NO Nitric oxide no  
524 NO- nitric oxide anion no-  
525 NO+ nitric oxide cation no+  
526 NS- nitrogen sulfide anion ns-  
527 NS+ nitrogen sulfide cation ns+  
528 PO- phosphorus monoxide anion po-  
529 PO+ phosphorus monoxide cation po+  
530 PS- phosphorus monosulfide anion ps-  
531 PS+ phosphorus monosulfide cation ps+  
532 VO Vanadium monoxide vo  
533 AsO Arsenic monoxide aso  
534 NSe Nitrogen monoselenide nse  
535 AsS Arsenic monosulfide ass  
536 PSe Phosphorus monoselenide pse  
537 AsSe Arsenic monoselenide asse  
538 O2 Oxygen diatomic o2  
539 O2- oxygen diatomic anion o2-  
540 O2-- dioxygen dianion o2--  
541 O2+ diatomic oxygen cation o2+  
542 SO- sulfur monoxide anion so-  
543 SO+ sulfur monoxide cation so+  
544 S2 Sulfur diatomic s2  
545 S2- sulfur diatomic anion s2-  
546 S2+ sulfur diatomic cation s2+  
547 SeO Selenium monoxide seo  
548 SeO- selenium monoxide anion seo-  
549 SeO+ selenium monoxide cation seo+  
550 SeS Selenium monosulfide ses  
551 SeS- selenium monosulfide anion ses-  
552 SeS+ selenium monosulfide cation ses+  
553 TeO Tellurium monoxide teo  
554 Se2 Selenium diatomic se2  
555 Se2- selenium diatomic anion se2-  
556 Se2+ selenium diatomic cation se2+  
557 Te2 Tellurium diatomic te2  
558 LiOH lithium hydroxide lioh  
559 NaOH sodium hydroxide naoh  
560 KOH Potassium hydroxide koh  
561 BeOH beryllium monohydroxide beoh  
562 MgOH magnesium hydroxide mgoh  
563 CaOH Calcium monohydroxide caoh  
564 HBO Boron hydride oxide hbo  
565 COH Hydroxymethylidyne coh  
566 COH+ Carbon Monoxide, protonated coh+  
567 HCO Formyl radical hco  
568 HCO- formyl anion hco-  
569 HCO+ Formyl cation hco+  
570 HCS Thioformyl radical hcs  
571 HCS- Thioformyl anion hcs-  
572 HCS+ Thioformyl cation hcs+  
573 HNO Nitrosyl hydride hno  
574 HNO- Nitrosyl hydride anion hno-  
575 HNO+ Nitrosyl hydride cation hno+  
576 NOH Hydroxyimidogen noh  
577 NOH+ O-protonated nitric oxide noh+  
578 HNS Sulfur imide hns  
579 HNS- Sulfur imide anion hns-  
580 HO2 Hydroperoxy radical ho2  
581 HO2- Hydroperoxy anion ho2-  
582 HO2+ Hydroperoxy cation ho2+  
583 HSO+ Sulfur Monoxide, S-protonated HSO+  
584 SOH Sulfur Hydroxide soh  
585 SOH+ Sulfur Monoxide, protonated soh+  
586 HS2 Thiosulfeno radical hs2  
587 H2CO Formaldehyde h2co  
588 H2CO- formaldehyde anion h2co-  
589 H2CO+ formaldehyde cation h2co+  
590 HOCH hydroxycarbene hoch  
591 H2CS- thioformaldehyde anion h2cs-  
592 H2CS+ thioformaldehyde cation h2cs+  
593 H2CSe Selenoformaldehyde h2cse  
594 H2NO nitroxide h2no  
595 H2O2 Hydrogen peroxide h2o2  
596 H2O2+ Hydrogen peroxide cation h2o2+  
597 H2OO water oxide h2oo  
598 HOSH hydrogen thioperoxide hosh  
599 H2Se2 hydrogen diselenide h2se2  
600 CH2OH Hydroxymethyl radical ch2oh  
601 CH2OH+ hydroxymethyl cation ch2oh+  
602 CH3O Methoxy radical ch3o  
603 CH3O- methoxy anion ch3o-  
604 CH3O+ Methoxy cation ch3o+  
605 CH3S thiomethoxy ch3s  
606 H2CSH+ Thioformaldehyde, protonated h2csh+  
607 NH2OH hydroxylamine nh2oh  
608 NH2OH+ Hydroxylamine cation nh2oh+  
609 NH3O Ammonia Oxide nh3o  
610 H2POH Phosphinous acid h2poh  
611 NH2SH Thiohydroxylamine nh2sh  
612 NH3S sulfidoazane nh3s  
613 H3O2+ hydrogen peroxide, protonated h3o2+  
614 CH3OH Methyl alcohol ch3oh  
615 CH3OH- Methyl alcohol anion ch3oh-  
616 CH3OH+ Methyl alcohol cation ch3oh+  
617 CH3SH+ Methanethiol cation ch3sh+  
618 SiH3OH silanol sih3oh  
619 CH3SeH Methane selenol ch3seh  
620 NH2OH2+ protonated hydroxylamine nh2oh2+  
621 NH3OH+ N-protonated hydroxylamine nh3oh+  
622 H2OH2O water dimer h2oh2o  
623 CH3OH2+ Methanol, protonated ch3oh2+  
624 H2ONH3 Water Ammonia Dimer h2onh3  
625 H5O2+ Dihydroxonium ion h5o2+  
626 LiF lithium fluoride lif  
627 LiCl- lithium chloride anion licl-  
628 LiCl+ lithium chloride cation licl+  
629 NaF sodium fluoride naf  
630 NaF- sodium fluoride anion naf-  
631 NaF+ sodium fluoride cation naf+  
632 KF Potassium Fluoride kf  
633 NaCl Sodium Chloride nacl  
634 NaCl- sodium chloride anion nacl-  
635 NaCl+ sodium chloride cation nacl+  
636 KCl Potassium Chloride kcl  
637 CuF Copper monofluoride cuf  
638 LiBr Lithium Bromide libr  
639 LiBr- lithium bromide anion libr-  
640 LiBr+ lithium bromide cation libr+  
641 CuCl Copper monochloride cucl  
642 NaBr Sodium Bromide nabr  
643 NaBr- sodium bromide anion nabr-  
644 NaBr+ sodium bromide cation nabr+  
645 KBr Potassium Bromide kbr  
646 LiI Lithium Iodide lii  
647 NaI Sodium Iodide nai  
648 KI Potassium Iodide ki  
649 LiF- lithium fluoride anion lif-  
650 LiF+ lithium fluoride cation lif+  
651 BeF Beryllium monofluoride bef  
652 BeF- Beryllium monofluoride anion bef-  
653 BeF+ Beryllium monofluoride cation bef+  
654 BeCl beryllium monochloride becl  
655 MgF Magnesium monofluoride mgf  
656 MgF- magnesium fluoride anion mgf-  
657 MgF+ magnesium fluoride cation mgf+  
658 CaF Calcium monofluoride caf  
659 MgCl magnesium monochloride mgcl  
660 MgCl- magnesium monochloride anion mgcl-  
661 MgCl+ magnesium monochloride cation mgcl+  
662 CaCl calcium monochloride cacl  
663 TiCl Titanium Monochloride ticl  
664 ZnF Zinc monofluoride znf  
665 ZnF- Zinc monofluoride anion znf-  
666 ZnF+ Zinc monofluoride cation znf+  
667 ZnCl Zinc monochloride zncl  
668 CaBr Calcium monobromide cabr  
669 BeCl- beryllium monochloride anion becl-  
670 BeCl+ beryllium monochloride cation becl+  
671 BF Boron monofluoride bf  
672 BF- Boron monofluoride anion bf-  
673 BF+ Boron monofluoride cation bf+  
674 AlF- Aluminum monofluoride anion alf-  
675 AlF+ Aluminum monofluoride cation alf+  
676 BCl boron monochloride bcl  
677 BCl- boron monochloride anion bcl-  
678 BCl+ boron monochloride cation bcl+  
679 AlCl- aluminum monochloride anion alcl-  
680 AlCl+ aluminum monochloride cation alcl+  
681 ScF Scandium monofluoride scf  
682 BBr Boron monobromide bbr  
683 GaF Gallium monofluoride gaf  
684 GaF+ Gallium monofluoride cation gaf+  
685 AlBr Aluminum monobromide albr  
686 GaCl Gallium monochloride gacl  
687 GaCl+ Gallium monochloride cation gacl+  
688 AlI Aluminum monoiodide ali  
689 GaBr Gallium monobromide gabr  
690 CF Fluoromethylidyne cf  
691 CF- carbon monofluoride anion cf-  
692 CF+ carbon monofluoride cation cf+  
693 CCl carbon monochloride ccl  
694 CCl- carbon monochloride anion ccl-  
695 CCl+ carbon monochloride cation ccl+  
696 SiF silicon monofluoride sif  
697 SiF- silicon monofluoride anion sif-  
698 SiF+ silicon monofluoride cation sif+  
699 SiCl Clorosilylidyne sicl  
700 SiCl- silicon monochloride anion sicl-  
701 SiCl+ silicon monochloride cation sicl+  
702 CBr Carbon monobromide cbr  
703 GeF Germanium monofluoride gef  
704 GeF+ Germanium monofluoride cation gef+  
705 GeCl Germanium monochloride gecl  
706 SiBr Silicon monobromide sibr  
707 SiBr+ Silicon monobromide cation sibr+  
708 NF nitrogen fluoride nf  
709 NF- nitrogen monofluorine anion nf-  
710 NF+ nitrogen monofluoirde cation nf+  
711 NCl- nitrogen monochloride anion ncl-  
712 NCl+ nitrogen monochloride cation ncl+  
713 PF phosphorus monofluoride pf  
714 PF- phosphorus monofluoride anion pf-  
715 PF+ phosphorus monofluoride cation pf+  
716 PCl phosphorus chloride pcl  
717 PCl- phosphorus monochloride anion pcl-  
718 PCl+ phosphorus monochloride cation pcl+  
719 AsF Arsenic monofluoride asf  
720 NBr nitrogen monobromide nbr  
721 AsCl Arsenic monochloride ascl  
722 PBr Phosphorus monobromide pbr  
723 SbF Antimony monofluoride sbf  
724 SbCl Antimony monochloride sbcl  
725 FO Oxygen monofluoride fo  
726 FO- flourine oxide anion fo-  
727 FO+ fluorine monoxide cation fo+  
728 ClO Monochlorine monoxide clo  
729 ClO- chlorine monoxide anion clo-  
730 ClO+ chlorine monoxide cation clo+  
731 SF- sulfur monofluoride anion sf-  
732 SF+ sulfur monofluoride cation sf+  
733 SCl- sulfur monochloride anion scl-  
734 BrO Bromine monoxide bro  
735 BrO- Bromine monoxide anion bro-  
736 BrO+ Bromine monoxide cation bro+  
737 SeF Selenium monofluoride sef  
738 SBr Sulfur monobromide radical sbr  
739 SBr+ Sulfur monobromide cation sbr+  
740 SeCl Selenium monochloride secl  
741 IO Iodine monoxide io  
742 SeBr Selenium monobromide sebr  
743 BrCl Bromine monochloride brcl  
744 F2 Fluorine diatomic f2  
745 F2- flourine diatomic anion f2-  
746 F2+ flourine diatomic cation f2+  
747 ClF Chlorine monofluoride clf  
748 ClF- clorine monofluoride anion clf-  
749 ClF+ clorine monofluoride cation clf+  
750 Cl2 Chlorine diatomic cl2  
751 BrF Bromine monofluoride brf  
752 BrF- bromine fluoride anion brf-  
753 BrF+ bromine fluoride cation brf+  
754 BrCl- bromine chloride anion brcl-  
755 BrCl+ bromine chloride cation brcl+  
756 IF Iodine monofluoride if  
757 Br2 Bromine diatomic br2  
758 Br2- bromine diatomic anion br2-  
759 Br2+ bromine diatomic cation br2+  
760 ICl Iodine monochloride icl  
761 IBr Iodine monobromide ibr  
762 I2 Iodine diatomic i2  
763 I2+ Iodine diatomic cation i2+  
764 HCF Fluoromethylene hcf  
765 HCCl Chloromethylene hccl  
766 HSiF fluorosilylene hsif  
767 HSiCl Chlorosilylene hsicl  
768 HSiBr monobromosilylene hsibr  
769 CHBr bromomethylene chbr  
770 HOF Hypofluorous acid hfo  
771 DOCl Hypochlorous acid-d docl  
772 HOCl hypochlorous acid hocl  
773 HOCl+ hypochlorous acid cation hocl+  
774 HOBr Hypobromous acid hobr  
775 HOBr+ Hypobromous acid cation hobr+  
776 HOI Hypoiodous acid hoi  
777 F2H+ Fluorine, protonated f2h+  
778 FHF Hydrogen difluoride fhf  
779 FHF- Hydrogen difluoride anion fhf-  
780 ClFH+ Chlorine fluoride, F-protonated clfh+  
781 FClH+ Chlorine fluoride, Cl-protonated fclh+  
782 Cl2H+ Chlorine, protonated cl2h+  
783 CH2Br bromomethyl radical ch2br  
784 CH2F fluoromethyl radical ch2f  
785 CH2F+ fluoromethyl cation ch2f+  
786 CH2Cl+ chloromethyl cation ch2cl+  
787 CH2Cl chloromethyl radical ch2cl  
788 NH2F monofluoroamine nh2f  
789 NH2Cl chloramine nh2cl  
790 H2F2 Hydrogen fluoride dimer h2f2  
791 CH3F+ methyl fluoride cation ch3f+  
792 CD3F methylfluoride-d3 cd3f  
793 CH3F Methyl fluoride ch3f  
794 CD3Cl methyl chloride d3 cd3cl  
795 CH3Cl+ Methyl chloride cation ch3cl+  
796 CH3Br methyl bromide ch3br  
797 GeH3F monofluorogermane geh3f  
798 GeH3Cl monochlorogermane geh3cl  
799 SiH3Br bromosilane sih3br  
800 CH3I methyl iodide ch3i  
801 SiH3I Silyl Iodide sih3i  
802 NH3Cl+ protonated monochloroammonia nh3cl+  
803 CH3ClH+ methyl chloride, protonated ch3clh+  
804 NH4Cl Ammonium chloride nh4cl  
805 LiNe+ Lithium Neon cation line+  
806 Ne2 Neon diatomic ne2  
807 Ne2+ Neon diatomic cation ne2+  
808 Ar2 Argon diatomic ar2  
809 Ar2+ Argon diatomic cation ar2+  
810 Li3 Lithium trimer li3  
811 Li3+ Lithium trimer cation li3+  
812 C3 carbon trimer c3  
813 C3+ carbon trimer cation c3+  
814 SiC2 Silicon dicarbide sic2  
815 C3H3 cyclopropenyl radical cpr  
816 C3H3 Propargyl radical propargyl  
817 C3H3- Propargyl anion c3h3-  
818 C3H3+ cyclopropenyl cation cpr+  
819 C3H3+ Propargyl cation c3h3+  
820 C3H4 cyclopropene cprop  
821 CH2CCH2 allene allene  
822 CH3CCH propyne propyne  
823 C3H5 Allyl radical allyl  
824 C3H5+ Allyl cation allyl+  
825 CH3CHCH 1-propenyl radical ch3chch  
826 Zn(CH3)2 dimethyl zinc dmz  
827 C3H6 Cyclopropane c3h6  
828 CH2CHCH3 Propene propene  
829 C3H7 n-Propyl radical npropyl  
830 C3H7+ cyclopropane, protonated c3h7+  
831 CH3CHCH3 Isopropyl radical isopropyl  
832 CH3CHCH3+ Isopropyl cation prop2yl+  
833 C3H8 Propane propane  
834 SiH2(CH3)2 dimethylsilane dms  
835 LiCN lithium cyanide licn  
836 NaCN Sodium Cyanide nacn  
837 KCN Potassium cyanide kcn  
838 CuCN Copper cyanide cucn  
839 ZnCN Zinc monocyanide zncn  
840 ZnNC Zinc isocyanide znnc  
841 AlCN Aluminum monocyanide alcn  
842 AlNC Aluminum isocyanide alnc  
843 CN2 3H-Diazirin-3-ylidene cn2  
844 CNN Diazocarbene cnn  
845 NCN Cyanoimidogen ncn  
846 N3 azide radical n3  
847 N3- azide anion n3-  
848 N3+ azide cation n3+  
849 HCCN cyanomethylene hccn  
850 HCNN diazomethyl radical hcnn  
851 HN3 hydrogen azide hn3  
852 HN3+ Hydrazoic acid cation hn3+  
853 HNCNH diiminomethane hncnh  
854 CH2N2 diazirine ch2n2  
855 CH2NN diazomethane ch2nn  
856 NH2CN cyanamide cyanamide  
857 HNNNH+ 1,2-Triazadienium n2h3+  
858 NH2NN+ hydrazoic acid, protonated nh2nn+  
859 CH3CN Acetonitrile ch3cn  
860 CH3CN- acetonitrile anion ch3cn-  
861 CH3CN+ Acetonitrile cation ch3cn+  
862 CH3NC methyl isocyanide ch3nc  
863 CHNCH2 2H-Azirine c157164  
864 CHNHCH 1H-Azirine chnhch  
865 H2CCNH Ethenimine ch2cnh  
866 H2CNCH methyleneaminomethylene ch2nch  
867 HCCNH2 Ethynamine hccnh2  
868 HCNCH2+ 2H-Azirine cation hcnch2+  
869 HNCNH2+ diiminomethane, protonated hncnh2+  
870 NCNH3+ Cyanamide, protonated ncnh3+  
871 NH2CNH+ cyanamide, cn protonated nh2cnh+  
872 NH3CN+ cyanamide, amine protonated nh3cn+  
873 CH2CHNH vinylazine ch2chnh  
874 CH3CHN methylmethaniminyl radical ch3chn  
875 NHCHNH2 aminomethanimine cn2h4  
876 C2H5N Aziridine c2h5n  
877 CH2CHNH2 aminoethene aminoethene  
878 CH2NCH3 N-methylmethanimine nmm  
879 CH3CHNH ethanimine ethanimine  
880 NH2BHNH2 diaminoborane nh2bhnh2  
881 C2H5NH+ Protonated Aziridine c2h5nh+  
882 C2H6N+ aziridine, protonated c2h6n+  
883 NH2CH2NH2 diaminomethane nh2ch2nh2  
884 CH3CH2NH2 Ethylamine etam  
885 CH3NHCH3 Dimethylamine ch3nhch3  
886 CH3PHCH3 dimethylphosphine ch3phch3  
887 NH2CH2NH3+ diaminoethane, protonated pdam  
888 (CH3)2NH2+ dimethylammonium cation dmam  
889 CH3CH2NH3+ ethylamine, protonated pea  
890 Li2O dilithium oxide li2o  
891 Li2O+ dilithium oxide cation li2o+  
892 Na2O disodium monoxide na2o  
893 LiO2 Lithium dioxide lio2  
894 NaO2 Sodium superoxide nao2  
895 CCO Dicarbon monoxide cco  
896 CNO- fulminate cno-  
897 NCO isocyanato radical nco  
898 NCO- cyanate nco-  
899 SCN thiocyanato radical scn  
900 SCN- thiocyanide anion scn-  
901 BO2 Boron dioxide bo2  
902 BO2- Boron dioxide anion bo2-  
903 BO2+ Boron dioxide cation bo2+  
904 N2O Nitrous oxide n2o  
905 N2O- Nitrous oxide anion n2o-  
906 N2O+ Nitrous oxide cation n2o+  
907 PPO Phosphorus oxide phosphide ppo  
908 CO2 Carbon dioxide co2  
909 CO2- Carbon dioxide anion co2-  
910 CO2+ Carbon dioxide cation co2+  
911 OCS+ Carbonyl sulfide cation cos+  
912 SiO2 silicon dioxide sio2  
913 CS2 Carbon disulfide cs2  
914 CS2- Carbon disulfide anion cs2-  
915 CS2+ Carbon disulfide cation cs2+  
916 TiO2 Titanium dioxide tio2  
917 SiS2 Silicon disulfide sis2  
918 GeO2 Germanium dioxide geo2  
919 OCSe Carbonyl selenide ocse  
920 SCSe Carbon sulfide selenide scse  
921 GeS2 Germanium disulfide ges2  
922 CSe2 Carbon diselenide cse2  
923 SCTe Carbon sulfide Telluride scte  
924 NO2 Nitrogen dioxide no2  
925 NO2- Nitrogen dioxide anion no2-  
926 NO2+ Nitrogen dioxide cation no2+  
927 NSO sulfinyl amidogen NSO  
928 PO2 Phosphorus dioxide po2  
929 PO2- Phosphorus dioxide anion po2-  
930 PO2+ Phosphorus dioxide cation po2+  
931 SNO Nitrogen oxide sulfide sno  
932 AsO2 Aresenic dioxide aso2  
933 O3 Ozone o3  
934 O3- Ozone anion o3-  
935 O3+ Ozone cation o3+  
936 SO2- Sulfur dioxide anion so2-  
937 SO2+ Sulfur dioxide cation so2+  
938 SSO Disulfur monoxide sso  
939 S3 Sulfur trimer s3  
940 S3- Sulfur trimer anion s3-  
941 SeO2 Selenium dioxide seo2  
942 SeO2+ Selenium dioxide cation seo2+  
943 TeO2 Tellurium Dioxide teo2  
944 HCCO ketenyl radical ketenyl  
945 CS2H+ Carbon disulfide, protonated cs2h+  
946 HCNO fulminic acid hcno  
947 HNCO Isocyanic acid hnco  
948 HOCN cyanic acid hocn  
949 HNCS Isothiocyanic acid hncs  
950 HSCN thiocyanic acid hscn  
951 HCO2- formate anion hco2-  
952 HNNO nitrosoazane hnno  
953 HNNO+ Nitrous oxide, N-protonated hnno+  
954 NNOH+ Nitrous Oxide, O-protonated nnoh+  
955 HCOO formate neutral radical hcoo  
956 HOCO Hydrocarboxyl radical hoco  
957 HOCO+ Hydrocarboxyl cation hoco+  
958 HNO2 Nitrous acid hno2  
959 HNO2+ nitrous acid cation hno2+  
960 O3H+ protonated ozone o3h+  
961 SO2H+ protonated sulfur dioxide so2h+  
962 C2H2O Oxirene oxirene  
963 CH2CO Ketene ch2co  
964 CH2CO+ Ketene cation ch2co+  
965 HCCOH ethynol hccoh  
966 Be(OH)2 Beryllium hydroxide beo2h2  
967 Mg(OH)2 Magnesium dihydroxide h2mgo2  
968 NH2NO Nitrosamide nh2no  
969 CH2O2 Dioxirane diox  
970 H2COO Dioxymethyl radical h2coo  
971 H2COO+ dioxymethyl cation h2coo+  
972 HCOOH Formic acid ch2o2  
973 H2O3 Hydrogen trioxide h2o3  
974 NaOCH3 Sodium methoxide naoch3  
975 CH2BOH hydroxy(methylene)borane ch2boh  
976 BH3CO Borane carbonyl bh3co  
977 CH3BO Borane, methyloxo- ch3bo  
978 CH2CHO Vinyloxy radical ch2cho  
979 CH2COH+ ketene, protonated ch2coh+  
980 CH3CO Acetyl radical ch3co  
981 CH3CO- Acetyl anion ch3co-  
982 CH3CO+ acetyl cation ch3co+  
983 CH2NOH formaldoxime ch2noh  
984 CH3NO nitrosomethane ch3no  
985 CHONH2 formamide formamide  
986 CNOH3 1,2-oxaziridine cnoh3  
987 HOCHNH hydroxymethylimine hochnh  
988 CHSNH2 thioformamide chsnh2  
989 NHCHSH Methanimidothioic acid nhchsh  
990 CH2OOH CH2OOH radical ch2ooh  
991 CH3OO methylperoxy radical ch3oo  
992 CH3OO- methylperoxy anion ch3oo-  
993 CH3OO+ methylperoxy cation ch3oo+  
994 C2H4O Ethylene oxide c2h4o  
995 C2H4O+ ethylene oxide cation c2h4o+  
996 CH2CHOH ethenol ch2choh  
997 CH3CHO Acetaldehyde ch3cho  
998 CH3CHO+ acetaldehyde cation ch3cho+  
999 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1000 C2H4S Thiirane thiirane  
1001 CH2CHSH Ethenethiol ch2chsh  
1002 CH3CHS Thioacetaldehyde ch3chs  
1003 H2CONH2+ protonated formamide h2conh2+  
1004 NH2CHOH+ Formamide, O-protonated nh2choh+  
1005 NH3CHO+ Formamide, N-Protonated nh3cho+  
1006 CH2(OH)2 methanediol ch2o2h2  
1007 CH3OOH Methyl peroxide ch3ooh  
1008 CH3SSH Hydrogen methyl disulfide ch3ssh  
1009 HSCH2SH Methanedithiol ch4s2  
1010 H2OH2CO water formaldehyde dimer h2oh2co  
1011 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1012 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1013 CH3CH2O Ethoxy radical ethoxy  
1014 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1015 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1016 CH3OCH2 methoxymethyl radical ch3och2  
1017 NH2CH2OH aminomethanol nh2ch2oh  
1018 CH3CH2OH Ethanol etoh  
1019 CH3OCH3 Dimethyl ether meome  
1020 CH3CH2SH ethanethiol etsh  
1021 CH3SCH3 Dimethyl sulfide mesme  
1022 CH3SCH3+ dimethyl sulfide cation mesme+  
1023 CH3SeCH3 dimethylselenide dmse  
1024 CH3OHH2O methanol water dimer ch3ohh2o  
1025 H2OCH3OH water methanol dimer h2och3oh  
1026 CuF2 Copper difluoride cuf2  
1027 ZnF2 Zinc difluoride znf2  
1028 CNF iso cyanogen fluoride cnf  
1029 FCN Cyanogen fluoride fcn  
1030 ClCN chlorocyanogen clcn  
1031 BrCN Cyanogen bromide brcn  
1032 ICN Cyanogen iodide icn  
1033 FBO Boron monofluoride monoxide fbo  
1034 BeF2 Beryllium fluoride bef2  
1035 MgF2 Magnesium fluoride mgf2  
1036 BeCl2 Beryllium chloride becl2  
1037 MgCl2 Magnesium dichloride mgcl2  
1038 CaCl2 Calcium Chloride cacl2  
1039 ZnCl2 Zinc dichloride zncl2  
1040 BeBr2 Beryllium bromide bebr2  
1041 CaBr2 Calcium dibromide cabr2  
1042 CaF2 Calcium difluoride caf2  
1043 FCO Carbonyl fluoride fco  
1044 FCO+ Carbonyl fluoride cation fco+  
1045 ClCO carbonyl monochloride clco  
1046 BF2 Boron difluoride radical bf2  
1047 FNO Nitrosyl fluoride fno  
1048 FNS Thionitrosyl fluoride fns  
1049 FSN Thiazyl fluoride fsn  
1050 BrNO Nitrosyl bromide brno  
1051 INO Nitrosyl iodide ino  
1052 CF2 Difluoromethylene cf2  
1053 CF2- Difluoromethylene anion cf2-  
1054 CF2+ Difluoromethylene cation cf2+  
1055 CFCl chlorofluoromethylene cfcl  
1056 SiF2+ Silicon difluoride cation sif2+  
1057 CCl2 dichloromethylene ccl2  
1058 CCl2- dichloromethylene anion ccl2-  
1059 CCl2+ dichloromethylene cation ccl2+  
1060 SiCl2 Dichlorosilylene sicl2  
1061 GeF2 Germanium difluoride gef2  
1062 GeCl2 Germanium dichloride gecl2  
1063 CBr2 dibromomethylene cbr2  
1064 FOO Dioxygen monofluoride radical foo  
1065 FOO+ Fluorine dioxide cation foo+  
1066 ClOO chloroperoxy radical cloo  
1067 ClOO+ chloroperoxy cation cloo+  
1068 OClO- Chlorine dioxide anion oclo-  
1069 OClO+ Chlorine dioxide cation oclo+  
1070 ClS2 Sulfur chloride cls2  
1071 BrOO Bromine dioxide broo  
1072 OBrO Bromine dioxide radical obro  
1073 NF2 Difluoroamino radical nf2  
1074 NF2+ Difluoroamino cation nf2+  
1075 PF2 Phosphorus difluoride pf2  
1076 PF2+ Phosphorus difluoride cation pf2+  
1077 F2O Difluorine monoxide f2o  
1078 SF2- sulfur difluoride anion sf2-  
1079 SF2+ sulfur difluoride cation sf2+  
1080 Cl2O Dichlorine monoxide cl2o  
1081 SeF2 Selenium difluoride sef2  
1082 BrOCl Bromine hypochlorite brocl  
1083 SeCl2 Selenium Dichloride secl2  
1084 SBr2 Sulfur dibromide sbr2  
1085 SeBr2 Selenium dibromide sebr2  
1086 BrOBr Bromine oxide brobr  
1087 F3- trifluoride anion f3-  
1088 Cl3- trichloride anion cl3-  
1089 Br3- tribromide anion br3-  
1090 I3- triiodide i3-  
1091 SFCl Sulfur chloride fluoride sfcl  
1092 HCCF Fluoroacetylene hccf  
1093 HCCF+ fluoroacetylene cation hccf+  
1094 HCCCl Chloroacetylene hcccl  
1095 HCCBr bromoacetylene hccbr  
1096 HFCO formyl fluoride hfco  
1097 HFCO+ formyl fluoride cation hfco+  
1098 COHCl Formyl chloride cohcl  
1099 COHBr Formyl bromide cohbr  
1100 BHF2 Difluoroborane bhf2  
1101 BHCl2 Borane, dichloro- bhcl2  
1102 CHCl2 dichloromethyl radical chcl2  
1103 CHF2 difluoromethyl radical chf2  
1104 CHF2+ difluoromethyl cation chf2+  
1105 CHFCl Chlorofluoromethyl radical chfcl  
1106 CHFCl+ Chlorofluoromethyl cation chfcl+  
1107 CHCl2+ dichloromethyl cation chcl2+  
1108 CHBr2 dibromomethyl radical chbr2  
1109 HOClO Chlorous acid hoclo  
1110 NHF2 difluoramine nhf2  
1111 NHCl2 dichloroamine nhcl2  
1112 CH2F2 Methane, difluoro- ch2f2  
1113 CH2FCl fluorochloromethane ch2fcl  
1114 CH2Cl2 Methylene chloride ch2cl2  
1115 CH2BrF Methane, bromofluoro- ch2fbr  
1116 CH2BrCl Methane, bromochloro- ch2clbr  
1117 CH2FI fluoroiodomethane ch2fi  
1118 CH2Br2 dibromomethane ch2br2  
1119 CH2ClI chloroiodomethane ch2cli  
1120 CH2BrI bromoiodomethane ch2bri  
1121 CH2I2 Diiodomethane ch2i2  
1122 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1123 CH2CHF Ethene, fluoro- ch2chf  
1124 CH2CHF+ fluoroethene cation ch2chf+  
1125 C2H3Cl Ethene, chloro- ch2chcl  
1126 C2H3Br vinyl bromide c2h3br  
1127 C2H3I Vinyl iodide c2h3i  
1128 CH2FOH fluoromethanol ch2foh  
1129 CH3OCl methyl hypochlorite ch3ocl  
1130 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1131 CHClCH3 1-chloroethyl radical chclch3  
1132 C2H5F fluoroethane c2h5f  
1133 CH3CH2Cl Ethyl chloride c2h5cl  
1134 CH3SiFH2 fluoromethylsilane ch3sifh2  
1135 C2H5Br Ethyl bromide etbr  
1136 C2H5I Ethyl iodide c2h5i  
1137 KrF2 Krypton difluoride krf2  
1138 XeF2 Xenon difluoride xef2  
1139 B4H10 Tetraborane(10) b4h10  
1140 C4 Carbon tetramer c4  
1141 C4+ Carbon tetramer cation c4+  
1142 C4H2 Diacetylene c4h2  
1143 C4H2+ diacetlyene cation c4h2+  
1144 C2H3CCH 1-Buten-3-yne c2h3cch  
1145 C4H4 cyclobutadiene cbd  
1146 C4H4 Tetrahedrane c4h4  
1147 H2CCCCH2 Butatriene h2cccch2  
1148 C4H6 1-Methylcyclopropene c3100047  
1149 C4H6 Cyclobutene c822355  
1150 C4H6 Methylenecyclopropane c6142730  
1151 CH2CCHCH3 1,2-Butadiene butad12  
1152 CH2CHCHCH2 1,3-Butadiene c106990  
1153 CH3CCCH3 2-Butyne c503173  
1154 CHCCH2CH3 1-Butyne c107006  
1155 CH3CHCHCH2 methylallyl radical c4h7  
1156 C4H8 methylcyclopropane mcp  
1157 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1158 CH2CHCH2CH3 1-Butene bute1  
1159 CH3CHCHCH3 2-Butene, (E)- bute2e  
1160 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1161 B(CH3)3 trimethylborane bme3  
1162 Al(CH3)3 trimethyl aluminum tma  
1163 C(CH3)3 Tert-butyl radical tbutyl  
1164 CH2CH(CH3)2 Isobutyl radical isobutyl  
1165 CH3CHCH2CH3 2-Butyl radical butyl2  
1166 CH3CH(CH3)CH3 Isobutane isobutane  
1167 CH3CH2CH2CH3 Butane butane  
1168 SiH(CH3)3 trimethylsilane trimsi  
1169 Li3N trilithium nitride li3n  
1170 C2N2 Cyanogen c2n2  
1171 C2N2+ Cyanogen cation c2n2+  
1172 P4 Phosphorus tetramer p4  
1173 As4 Arsenic tetramer as4  
1174 HCCCN Cyanoacetylene hcccn  
1175 HCCCN+ Cyanoacetylene cation hcccn+  
1176 H2CNCN cyanamide, methylene ch2ncn  
1177 HNCCNH Ethenediimine hnccnh  
1178 C3H3N acrylonitrile ch2chcn  
1179 C3H3N+ acrylonitrile cation ch2chcn+  
1180 CH3N3 methyl azide ch3n3  
1181 NH2CCNH2 Diaminoacetylene daa  
1182 NH2CH2CN Aminoacetonitrile aan  
1183 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1184 C2H5CN ethyl cyanide c2h5cn  
1185 CH5N3 Guanidine guanidine  
1186 C4H6 Bicyclo[1.1.0]butane c157335  
1187 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1188 H2NCHCHNH2 diaminoethylene dae  
1189 CH6N3+ guanidinium ch6n3+  
1190 C3H7N Cyclopropylamine cpram  
1191 CH7N3 triaminomethane tam  
1192 C3H7N Azetidine azet  
1193 C4H8 cyclobutane cbutane  
1194 C2H8N2 Ethylenediamine ethdiam  
1195 CH3NHNHCH3 dimethyl hydrazine dmh  
1196 CH3CH(NH2)CH3 2-Propanamine pram2  
1197 N(CH3)3 Trimethylamine trimeam  
1198 NH2CH2CH2CH3 1-Propanamine pram1  
1199 P(CH3)3 trimethylphosphine tmp  
1200 N(SiH3)3 trisilylamine tsa  
1201 As(CH3)3 trimethyl arsine tmas  
1202 (CH3)3NH+ protonated trimethyl amine ptma  
1203 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1204 Li2O2 dilithium dioxide li2o2  
1205 Na2O2 disodium dioxide na2o2  
1206 K2O2 dipotassium dioxide k2o2  
1207 C3O Tricarbon monoxide c3o  
1208 B2O2 Diboron dioxide b2o2  
1209 ONNO NO dimer onno  
1210 CO3 Carbon trioxide co3  
1211 CO3-- carbonate co3--  
1212 CS3-- Carbonotrithioate cs3--  
1213 NO3 Nitrogen trioxide no3  
1214 NO3- nitrate anion no3-  
1215 NO3+ nitrogen trioxide cation no3+  
1216 SO3- Sulfur trioxide anion so3-  
1217 SO3-- Sulfate dianion so3--  
1218 SO3+ Sulfur trioxide cation so3+  
1219 SeO3 selenium trioxide seo3  
1220 S4 Sulfur tetramer s4  
1221 TeO3 Tellurium trioxide teo3  
1222 HCO3- bicarbonate anion hco3-  
1223 HNO3 Nitric acid hno3  
1224 HSO3 Hydroxysulfonyl radical hso3  
1225 NH2NO2 nitramide nh2no2  
1226 C2H2CO cyclopropenone c2h2co  
1227 C3H2O Propadienal c3h2o  
1228 HCCCHO 2-propynal hcccho  
1229 C2H2O2 Ethanedial c2h2o2  
1230 C2H2O2+ Ethanedial cation c2h2o2+  
1231 H2CO3 Carbonic acid h2co3  
1232 H2CS3 thiocarbonic acid h2cs3  
1233 H2NO3+ Nitric Acid, Protonated h2no3+  
1234 H2SO3 Sulfurous acid h2so3  
1235 C2H3NO Nitrosoethylene c2h3no  
1236 CH3NCO methylisocyante ch3nco  
1237 HOCH2CN cyanomethanol hoch2cn  
1238 CH3COO- acetate anion ch3coo-  
1239 CH3NO2 Methane, nitro- ch3no2  
1240 CH3ONO Methyl nitrite ch3ono  
1241 NH2COOH Carbamic acid nh2cooh  
1242 H3BO3 Boric acid h3bo3  
1243 H3AlO3 Aluminum hydroxide h3alo3  
1244 H3CO3+ carbonic acid, protonated h3co3+  
1245 C3H4O 2-Propyn-1-ol c107197  
1246 C3H4O allenol c9000071  
1247 C3H4O Cyclopropanone cpone  
1248 C3H4O Methylketene c6004440  
1249 CH2CHCHO Acrolein c3h4o  
1250 NH2CONH2 Urea urea  
1251 NH2CONH2+ Urea cation urea+  
1252 NH2CSNH2 Thiourea thiourea  
1253 C2H4O2 1,3-dioxetane c2h4o2  
1254 CH3COOH Acetic acid ch3cooh  
1255 CH3OCHO methyl formate ch3ocho  
1256 CHOCH2OH hydroxy acetaldehyde haa  
1257 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1258 NH3COOH+ protonated Carbamic acid nh3cooh+  
1259 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1260 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1261 HCOOHH2O Formic acid water dimer hcoohh2o  
1262 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1263 CH3COCH2 Acetonyl radical ch3coch2  
1264 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1265 CH3C(OH)=NH Ethaninidic acid eia  
1266 CH3CHNOH Acetaldoxime acetaldoxime  
1267 CH3CONH2 Acetamide acetamide  
1268 HCONHCH3 N-methylformamide nmfa  
1269 CH3CSNH2 Ethanethioamide ch3csnh2  
1270 CH5N2O+ urea, N-protonated ch4n2o+  
1271 H2NCOHNH2+ urea, protonated ureah+  
1272 C2H5OO ethylperoxy radical c2h5oo  
1273 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1274 C3H5OH Cyclopropanol cproh  
1275 C3H6O 2-Propen-1-ol c107186  
1276 C3H6O Acetone enol enol  
1277 C3H6O Oxetane oxetane  
1278 C3H6O Propylene oxide prox  
1279 CH3CH2CHO Propanal propanal  
1280 CH3COCH3 Acetone acetone  
1281 CH3COCH3- acetone anion ch3coch3-  
1282 C3H6S Thietane thietane  
1283 C3H6S Thiirane, methyl- methiirane  
1284 CH3CSCH3 Thioacetone ch3csch3  
1285 C2H6O2 1,2-Ethanediol ethdiol  
1286 CH3OOCH3 dimethylperoxide dmp  
1287 CH3SOCH3 Dimethyl sulfoxide dmso  
1288 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1289 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1290 CH3COHCH3+ acetone, protonated acetoneh+  
1291 HOCH2CH2NH2 monoethanolamine mea  
1292 C3H7OH 1-Propanol proh  
1293 CH3CHOHCH3 Isopropyl alcohol isoproh  
1294 CH3OC2H5 Ethane, methoxy- etome  
1295 C3H7SH 1-Propanethiol prsh  
1296 CH3CHSHCH3 2-Propanethiol isoprsh  
1297 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1298 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1299 Li2F2 Lithium fluoride dimer li2f2  
1300 Na2F2 Sodium Fluoride Dimer na2f2  
1301 Na2Cl2 Disodium dichloride na2cl2  
1302 C2F2 difluoroacetylene c2f2  
1303 C2Cl2 dichloroacetylene c2cl2  
1304 C2Cl2+ dichloroacetylene cation c2cl2+  
1305 FNO2 Nitryl fluoride fno2  
1306 FONO Nitrosyl hypofluorite fono  
1307 ClNO2 Nitryl chloride clno2  
1308 ClONO chlorine nitrite clono  
1309 BrONO Bromine nitrite brono  
1310 N2F2 (Z)-Difluorodiazene n2f2_z  
1311 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1312 CF2O Carbonic difluoride f2co  
1313 CF2O+ Carbonic difluoride cation f2co+  
1314 COFCl Carbonic chloride fluoride cofcl  
1315 CCl2O Phosgene cl2co  
1316 Cl2CS Thiophosgene cl2cs  
1317 COBr2 Carbonic dibromide cobr2  
1318 BF3 Borane, trifluoro- bf3  
1319 BF3- Borane, trifluoro- anion bf3-  
1320 BF3+ boron trifluoride cation bf3+  
1321 AlF3 Aluminum trifluoride alf3  
1322 BClF2 Chlorodifluoroborane bclf2  
1323 AlF2Cl Aluminum chloride difluoride alclf2  
1324 ScF3 Scandium trifluoride ScF3  
1325 AlFCl2 Aluminum dichloride fluoride alcl2f  
1326 BCl3 Borane, trichloro- bcl3  
1327 BCl3+ Boron Trichloride cation bcl3+  
1328 GaF3 Gallium trifluoride gaf3  
1329 AlCl3 Aluminum trichloride alcl3  
1330 GaCl3 Gallium trichloride gacl3  
1331 BBr3 Boron tribromide bbr3  
1332 AlBr3 Aluminum Bromide albr3  
1333 ClO3 Chlorine trioxide clo3  
1334 ClO3- chlorate anion clo3-  
1335 BrO3- Bromate anion bro3-  
1336 CF3 Trifluoromethyl radical cf3  
1337 CF3- Trifluoromethyl anion cf3-  
1338 CF3+ Trifluoromethyl cation cf3+  
1339 CF2Cl difluorochloromethyl radical cf2cl  
1340 SiF3 Silicon trifluoride radical sif3  
1341 SiF3+ Silicon trifluoride cation sif3+  
1342 CFCl2 dichlorofluoromethyl radical cfcl2  
1343 CCl3 Trichloromethyl radical ccl3  
1344 CCl3- Trichloromethyl anion ccl3-  
1345 CCl3+ Trichloromethyl cation ccl3+  
1346 SiCl3 trichlorosilyl radical sicl3  
1347 SiCl3+ trichlorosilyl cation sicl3+  
1348 CBr3 tribromomethyl radical cbr3  
1349 FOOF Perfluoroperoxide foof  
1350 ClOOCl Dichlorine dioxide cloocl  
1351 FSSF Difluorodisulfane fssf  
1352 S2F2 Thio-thionyl fluoride s2f2  
1353 SOCl2 thionyl chloride socl2  
1354 SSCl2 Thiothionyl chloride sscl2  
1355 SeOCl2 selenium oxychloride seocl2  
1356 NF3 Nitrogen trifluoride nf3  
1357 NF3- Nitrogen trifluoride anion nf3-  
1358 NF3+ Nitrogen trifluoride cation nf3+  
1359 PF3 Phosphorus trifluoride pf3  
1360 NCl3 nitrogen trichloride ncl3  
1361 AsF3 Arsenic trifluoride asf3  
1362 PCl3 Phosphorus trichloride pcl3  
1363 SbF3 Antimony Trifluoride sbf3  
1364 AsCl3 Arsenous trichloride ascl3  
1365 SbCl3 Antimony Trichloride sbcl3  
1366 NBr3 Nitrogen Tribromide nbr3  
1367 PBr3 Phosphorus tribromide pbr3  
1368 AsBr3 Arsenic tribromide asbr3  
1369 NI3 Nitrogen triiodide ni3  
1370 PI3 Phosphorus triiodide pi3  
1371 ClSSCl Disulfur dichloride s2cl2  
1372 SF3 Sulfur trifluoride sf3  
1373 BrF3 Bromine trifluoride brf3  
1374 IF3 iodone trifluoride if3  
1375 HClO3 Chloric Acid hclo3  
1376 CHF3 Methane, trifluoro- chf3  
1377 CHF2Cl difluorochloromethane chf2cl  
1378 CHFCl2 fluorodichloromethane chfcl2  
1379 CDCl3 trichloromethane-d cdcl3  
1380 CHCl3 Chloroform chcl3  
1381 CHBrF2 Methane, bromodifluoro- chbrf2  
1382 SiHCl3 Trichlorosilane sihcl3  
1383 CHFClBr fluorochlorobromomethane chfclbr  
1384 CHBrCl2 Methane, bromodichloro- chbrcl2  
1385 CHF2I difluoroiodomethane chf2i  
1386 CHBr2F dibromofluoromethane chbr2f  
1387 CHFClI fluorochloroiodomethane chfcli  
1388 CHCl2I dichloroiodomethane chcl2i  
1389 CHClBr2 Methane, dibromochloro- chclbr2  
1390 CHBr3 bromoform chbr3  
1391 CHI3 Iodoform chi3  
1392 NF3H+ protonated nitrogen trifluoride nf3h+  
1393 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1394 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1395 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1396 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1397 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1398 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1399 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1400 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1401 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1402 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1403 C2H2Br2 1,1-dibromoethene c2h2br2  
1404 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1405 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1406 CH2FCHO Fluoroacetaldehyde ch2fcho  
1407 CH3COF Acetyl fluoride ch3cof  
1408 CH2ClCHO chloroacetaldehyde ch2clcho  
1409 CH3COCl Acetyl Chloride ch3cocl  
1410 C2H4F2 1,2-difluoroethane c2h4f2  
1411 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1412 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1413 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1414 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1415 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1416 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1417 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1418 CH2CFCH3 2-fluoropropene 2fpro  
1419 CH2CHCH2F Allyl Fluoride allylf  
1420 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1421 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1422 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1423 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1424 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1425 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1426 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1427 CH2FCH2CH3 1-Fluoropropane prf1  
1428 CH3CHFCH3 2-Fluoropropane prf2  
1429 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1430 CH3CHClCH3 Propane, 2-chloro- prcl2  
1431 CH3CH2CH2Br n-propyl bromide prbr  
1432 CH3CHBrCH3 i-propyl bromide iprbr  
1433 C3H9O+ trimethyl oxonium cation c3h9o+  
1434 B5H9 pentaborane9 b5h9  
1435 C5H4 pentatetraene ptrene  
1436 C5H5 cyclopentadienyl radical c5h5  
1437 C5H5- cylopentadienyl anion c5h5-  
1438 C5H6 1,3-Cyclopentadiene c542927  
1439 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1440 C5H6 3-Penten-1-yne, (E)- c2004695  
1441 C5H6 3-Penten-1-yne, (Z)- c1574409  
1442 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1443 C5H6 Cyclopropylacetylene c6746947  
1444 C5H6 Propellane propellane  
1445 C5H7 1,3-pentadienyl radical pdyl  
1446 C5H7 cyclopentenyl radical cpyl  
1447 C5H8 1,2-Butadiene, 3-methyl- c598254  
1448 C5H8 1,2-Pentadiene c591957  
1449 C5H8 1,3-Butadiene, 2-methyl- c78795  
1450 C5H8 1,3-Pentadiene, (E)- c2004708  
1451 C5H8 1,3-Pentadiene, (Z)- c1574410  
1452 C5H8 1,4-Pentadiene c591935  
1453 C5H8 1-pentyne a1pentyne  
1454 C5H8 2,3-Pentadiene c591968  
1455 C5H8 Bicyclo[1.1.1]pentane bcp  
1456 C5H8 Cyclobutane, methylene- c1120565  
1457 C5H8 Cyclopentene c142290  
1458 C5H8 Ethenylcyclopropane c693867  
1459 CH3CCCH2CH3 2-Pentyne 2pentyne  
1460 C5H10 1-Butene, 2-methyl- c563462  
1461 C5H10 2-Butene, 2-methyl- c513359  
1462 C5H10 2-Pentene, (E)- c646048  
1463 C5H10 2-Pentene, (Z)- c627203  
1464 C5H10 Cyclopentane c287923  
1465 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1466 CH2CHCH2CH2CH3 1-pentene pentene  
1467 C5H11 2-Methylbut-2-yl radical c4348350  
1468 C5H12 Butane, 2-methyl- buta2  
1469 C5H12 Pentane pentane  
1470 C5H12 Propane, 2,2-dimethyl- neopentane  
1471 Si(CH3)4 tetramethylsilane tms  
1472 N2O3 Dinitrogen trioxide n2o3  
1473 C3H2N2 Malononitrile c3h2n2  
1474 CH2N4 1H-Tetrazole 1htz  
1475 C3H3N2 imidazolyl radical im  
1476 C3H3N2- imidizolyl anion im-  
1477 C2H3N3 1H-1,2,4-Triazole c288880  
1478 C4H4N pyrrolide radical c4h4n  
1479 C4H4N- pyrrolide anion c4h4n-  
1480 C3H4N2 1H-Imidazole 1himidaz  
1481 C3H4N2 1H-Pyrazole 1hpyraz  
1482 C3H4N2 2H-Imidazole imid2h  
1483 C3H4N2 4H-Imidazole imid4h  
1484 C4H5N (E)-2-Butenenitrile c627269  
1485 C4H5N (Z)-2-Butenenitrile c1190767  
1486 C4H5N 2H-pyrrole pyrrole2  
1487 C4H5N 3H-pyrrole pyrrole3  
1488 C4H5N Cyclopropanecarbonitrile c5500210  
1489 C4H5N Pyrrole pyrrole  
1490 CH2CHCH2CN Allylcyanide ch2chch2cn  
1491 C4H6N+ pyrrole, alpha-protonated appyr  
1492 C4H6N+ pyrrole, beta-protonated bppyr  
1493 C4H6N+ pyrrole, protonated ppyr  
1494 C3H6N2 3-Aminopropionitrile c151188  
1495 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1496 CH3CH2CH2CN Butanenitrile c109740  
1497 C5H8 Bicyclo[2.1.0]pentane c185944  
1498 C5H8 Spiropentane c157404  
1499 C4H9N Cyclobutylamine cbam  
1500 C4H9N Pyrrolidine pyrrolidine  
1501 C3H10N2 1,2-Diaminopropane diampr12  
1502 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1503 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1504 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1505 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1506 NH(C2H5)2 diethylamine dea  
1507 NC4H12+ tetramethyl ammonium cation nc4h12+  
1508 C3O2 Carbon suboxide c3o2  
1509 C3O2+ Carbon suboxide cation c3o2+  
1510 B2O3 diboron trioxide b2o3  
1511 MgCO3 Magnesium Carbonate mgco3  
1512 BeCO3 Beryllium Carbonate beco3  
1513 CaCO3 Calcium Carbonate caco3  
1514 ONONO Nitrosyl nitrite onono  
1515 PO4--- phosphate po4---  
1516 SO4-- sulfate so4--  
1517 HOONO2 peroxy nitric acid hoono2  
1518 HSO4- bisulfate anion hso4-  
1519 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1520 C3H2O2 Propiolic acid c3h2o2  
1521 CHOCOOH oxo acetic acid oaa  
1522 CHOOCHO diformyl ether choocho  
1523 H2SO4 Sulfuric acid h2so4  
1524 H2SeO4 Selenic acid h2seo4  
1525 C3H3NO Isoxazole isox  
1526 C3H3NO Oxazole oxazole  
1527 C3H3NS Thiazole thiazole  
1528 CH3C(O)OO acetyl peroxy radical ch3coo2  
1529 CH3NO3 Methyl nitrate ch3no3  
1530 H3PO4 Phosphoric Acid h3po4  
1531 C4H4O Furan furan  
1532 C4H4O+ Furan cation furan+  
1533 CH3COCCH 3-butyn-2-one c1423605  
1534 C4H4S Thiophene furans  
1535 C4H4Se selenophene c4h4se  
1536 C3H4O2 β–Propiolactone beta  
1537 C3H4O2 2-Propenoic acid propenoic2  
1538 C3H4O2 Methyl glyoxal megly  
1539 C3H4O2 propanedial propanedial  
1540 C3H4O2 propenalol propenalol  
1541 HOCHCCHOH allenediol aldiol  
1542 C2H4O3 1,2,3-trioxolane c2h4o3  
1543 C2H4O3 trioxolane124 triox  
1544 HOCH2COOH Hydroxyacetic acid hac  
1545 CH2CHCONH2 Acrylamide c79061  
1546 CH3OCH2CN Methoxyacetonitrile c1738369  
1547 CH5N3S Hydrazinecarbothioamide c79196  
1548 H2NCH2COOH Glycine glycine  
1549 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1550 C4H6O cis-2-butenal butenal2c  
1551 C4H6O Cyclobutanone cbutone  
1552 C4H6O Furan, 2,3-dihydro- furan23h  
1553 C4H6O Furan, 2,5-dihydro- furan25h  
1554 CH2CHOCHCH2 Vinyl ether vinylether  
1555 CHOCHCHCH3 2-Butenal butenal2  
1556 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1557 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1558 CH2CHSCHCH2 Divinyl sulfide divis  
1559 C2H6N2O Urea, methyl- c598505  
1560 C3H6O2 1,3-Dioxolane dioxolane  
1561 CH3CH2COOH Propanoic Acid propanoic  
1562 CH3COOCH3 methyl acetate aame  
1563 HCOOC2H5 Ethyl formate faee  
1564 C2H6O2S Dimethyl sulfone c67710  
1565 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1566 C3H7NO dimethylformamide dmf  
1567 C3H7NO Propanamide propanam  
1568 C2H3OC2H5 Ethene, ethoxy- c109922  
1569 C4H8O Cyclobutanol c2919235  
1570 C4H8O Furan, tetrahydro- thf  
1571 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1572 CH3COCH2CH3 2-Butanone buta2one  
1573 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1574 CHOCH2CH2CH3 Butanal butanal  
1575 C4H8S Thiophene, tetrahydro- tht  
1576 C3H8O2 1,3-Propanediol c504632  
1577 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1578 C3H8O2 Methane, dimethoxy- c109875  
1579 C3H8O2 Propylene glycol c57556  
1580 C3H8S2 1,3-Propanedithiol c109808  
1581 C4H10O 1-Butanol butanol1  
1582 C4H10O 1-Propanol, 2-methyl- c78831  
1583 C4H10O 2-Butanol, (.+/-.)- butanol2  
1584 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1585 C4H10O Ethoxy ethane etoet  
1586 C4H10O Methyl propyl ether meopr  
1587 C4H10O Propane, 2-methoxy- c598538  
1588 C4H10O+ 1-Butanol cation butanol1+  
1589 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1590 C2H5SC2H5 Diethyl sulfide etset  
1591 C4H9SH 1-Butanethiol bush  
1592 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1593 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1594 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1595 FNO3 Fluorine nitrate fno3  
1596 ClONO2 Chlorine nitrate clono2  
1597 BrONO2 Bromine nitrate brono2  
1598 TiCl4 Titanium tetrachloride ticl4  
1599 ClO4- perchlorate anion clo4-  
1600 BF4- tetrafluoroboron anion bf4-  
1601 ClFO3 Perchloryl fluoride clfo3  
1602 SO2F2 Sulfuryl fluoride so2f2  
1603 SO2Cl2 Sulfuryl chloride so2cl2  
1604 F3NO Nitrogen trifluoride oxide f3no  
1605 F3PO Phosphoryl fluoride pf3o  
1606 Cl3PO Phosphoryl chloride pcl3o  
1607 CF4 Carbon tetrafluoride cf4  
1608 CF3Cl Methane, chlorotrifluoro- cf3cl  
1609 SiF4 Silicon tetrafluoride sif4  
1610 CF2Cl2 difluorodichloromethane cf2cl2  
1611 TiF4 Titanium tetrafluoride tif4  
1612 CFCl3 Trichloromonofluoromethane cfcl3  
1613 CF3Br Bromotrifluoromethane cf3br  
1614 GeF4 Germanium tetrafluoride gef4  
1615 CCl4 Carbon tetrachloride ccl4  
1616 CCl4+ Carbon tetrachloride cation ccl4+  
1617 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1618 SiCl4 Silane, tetrachloro- sicl4  
1619 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1620 CF3I trifluoroiodomethane cf3i  
1621 CBrCl3 Methane, bromotrichloro- cbrcl3  
1622 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1623 GeCl4 Germanium Tetrachloride gecl4  
1624 CBr2ClF dibromochlorofluoromethane cbr2clf  
1625 CBr2Cl2 dibromodichloromethane cbr2cl2  
1626 CCl3I trichloroiodomethane ccl3i  
1627 CFBr3 fluorotribromomethane cfbr3  
1628 CFClBrI fluorochlorobromoiodomethane cfclbri  
1629 CBr3Cl tribromochloromethane cbr3cl  
1630 CF2I2 difluorodiiodomethane cf2i2  
1631 CBr4 Carbon tetrabromide cbr4  
1632 CCl2I2 dichlorodiiodomethane ccl2i2  
1633 SiBr4 Silicon tetrabromide sibr4  
1634 CBr3I tribromoiododmethane cbr3i  
1635 GeBr4 Germanium tetrabromide gebr4  
1636 CI4 tetraiodomethane ci4  
1637 SiI4 silicon tetraiodide sii4  
1638 ClOF3 Chlorine trifluoride oxide clof3  
1639 SF4 Sulfur tetrafluoride sf4  
1640 SeF4 Selenium tetrafluoride sef4  
1641 SCl4 Sulfur tetrachloride scl4  
1642 C2HF3 Trifluoroethylene c2hf3  
1643 C2HF3+ Trifluoroethylene cation c2hf3+  
1644 CHClCCl2 Trichloroethylene chclccl2  
1645 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1646 HClO4 perchloric acid hclo4  
1647 HSO3F Fluorosulfonic acid hso3f  
1648 CF3OH trifluoromethanol cf3oh  
1649 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1650 CHClCCHCl 1,3-dichloroallene chclcchcl  
1651 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1652 CHCl2CHO dichloroacetaldehyde chcl2cho  
1653 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1654 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1655 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1656 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1657 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1658 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1659 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1660 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1661 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1662 NH3BCl3 Amminetrichloroboron nh3bcl3  
1663 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1664 C3H5ClO Oxirane, (chloromethyl)- c106898  
1665 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1666 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1667 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1668 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1669 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1670 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1671 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1672 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1673 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1674 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1675 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1676 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1677 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1678 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1679 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1680 C4H9F 1-fluorobutane butaf1  
1681 CH3CHFCH2CH3 2-fluorobutane butaf2  
1682 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1683 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1684 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1685 XeF4 Xenon tetrafluoride xef4  
1686 C2H2N2O Furazan furazan  
1687 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1688 NH3BF3 Amminetrifluoroboron nh3bf3  
1689 C6H2 hexatriyne c6h2  
1690 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1691 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1692 C6H4 Benzyne benzyne  
1693 C6H5 phenyl phenyl  
1694 C6H5- phenyl anion phenyl-  
1695 C6H6 Prismane prismane  
1696 C6H6 1,2,4,5-Hexatetraene ht1245  
1697 C6H6 2,4-Hexadiyne hexadiyne  
1698 C6H6 3,4-Dimethylenecyclobutene cb34m  
1699 C6H6 Benzene benzene  
1700 C6H6 Benzvalene bv  
1701 C6H6 Dewar Benzene dewar  
1702 C6H6 Hexa-1,5-diene-3-yne hdy153  
1703 C6H6 Trimethylenecycopropane tmcp  
1704 C6H6+ Benzene cation c6h6+  
1705 C6H7+ benzene, protonated c6h7+  
1706 C6H8 (E)-hexa-1,3,5-triene c821078  
1707 C6H8 (E)-hexa-2,3,4-triene c59660650  
1708 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1709 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1710 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1711 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1712 C6H8 3-Methylenecyclopentene c930267  
1713 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1714 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1715 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1716 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1717 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1718 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1719 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1720 C6H10 1,5-Hexadiene c592427  
1721 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1722 C6H10 1-Hexyne hexyne1  
1723 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1724 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1725 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1726 C6H10 2-Hexyne c764352  
1727 C6H10 3-Hexyne hexyne3  
1728 C6H10 cyclohexene cyclohexene  
1729 C6H10 Cyclopentene, 1-methyl- c693890  
1730 C6H10 Cyclopentene, 3-methyl- c1120623  
1731 C6H10 Cyclopentene, 4-methyl- c1759815  
1732 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1733 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1734 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1735 C6H12 (E)-2-Hexene e2hexene  
1736 C6H12 (E)-3-methylpent-2-ene c616126  
1737 C6H12 (E)-hex-3-ene e3hexene  
1738 C6H12 (Z)-3-methylpent-2-ene c922623  
1739 C6H12 (Z)-hex-2-ene z2hexene  
1740 C6H12 (Z)-hex-3-ene z3hexene  
1741 C6H12 2,3-dimethylbut-1-ene c563780  
1742 C6H12 2,3-dimethyl-but-2-ene tmeet  
1743 C6H12 3-methylenepentane c760214  
1744 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1745 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1746 C6H12 Cyclohexane cyclohexane  
1747 C6H12 Cyclopentane, methyl- c96377  
1748 C6H12 Ethylcyclobutane c4806615  
1749 C6H12 hex-1-ene hexene1  
1750 C6H14 Butane, 2,2-dimethyl- buta22  
1751 C6H14 Butane, 2,3-dimethyl- buta23  
1752 C6H14 Hexane hexane  
1753 C6H14 Pentane, 2-methyl- penta2  
1754 C6H14 Pentane, 3-methyl- penta3  
1755 C4N2 2-Butynedinitrile c4n2  
1756 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1757 C4H2N2 Fumaronitrile c4h2n2  
1758 C2H2N4 sym-tetrazine ttz  
1759 C3H3N3 1,3,5-Triazine triazine135  
1760 CH3N5 5-Aminotetrazole c4418615  
1761 C4H4N2 1,3-Diazine diazine13  
1762 C4H4N2 Pyrazine pyrazine  
1763 C4H4N2 Pyridazine pyridazine  
1764 C4H4N2 Succinonitrile c110612  
1765 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1766 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1767 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1768 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1769 C5H5N E-2,4-pentadienenitrile bdcn  
1770 C5H5N Pyridine pyridine  
1771 B3N3H6 borazine borazine  
1772 C6H6 Fulvene fulvene  
1773 C5H6N+ Pyridinium c5h6n  
1774 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1775 C5H7N (E)-2-Pentenenitrile c26294984  
1776 C5H7N (E)-3-Pentenenitrile c16529661  
1777 C5H7N (Z)-2-Pentenenitrile c25899507  
1778 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1779 C5H7N Cyclobutanecarbonitrile c4426113  
1780 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1781 C5H9N Butanenitrile, 2-methyl- c18936179  
1782 C5H9N Pentanenitrile c110598  
1783 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1784 C6H10 Bicyclo[3.1.0]hexane c285585  
1785 C5H11N Cyclopentanamine cypentam  
1786 C5H11N Piperidine piper  
1787 C4H12N2 1,2-Butanediamine c4426486  
1788 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1789 Li2CO3 Lithium Carbonate li2co3  
1790 Na2CO3 Sodium Carbonate na2co3  
1791 C2O4-- oxalate anion c2o4  
1792 MgSO4 Magnesium Sulfate mgso4  
1793 N2O4 Dinitrogen tetroxide n2o4  
1794 C3H2O3 vinylene carbonate vica  
1795 C2H2O4 Oxalic Acid oxalic  
1796 C2H3NO3 Oxamic acid oxamic  
1797 C4H4O2 2(5H)-Furanone furanone  
1798 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1799 C2H4N2O2 Oxalamide oxalamide  
1800 C2H4N2S2 Ethanedithioamide c79403  
1801 C2H4CO3 Ethylene carbonate etco3  
1802 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1803 C3H4S3 1,3-Dithiolane-2-thione c822388  
1804 C2H4O4 Formic acid dimer fadimer  
1805 C4H5NO 3-Methylisoxazole isox3m  
1806 C4H5NO Isoxazole, 5-methyl- c5765446  
1807 C4H5NS 4-Methylthiazole c693958  
1808 C2H5NO3 Nitric acid, ethyl ester c625581  
1809 C5H6O 2H-Pyran pyran2  
1810 C5H6O 2-methylfuran furan2m  
1811 C5H6O 3-Methylfuran furan3m  
1812 C5H6O Pentadienal pdal  
1813 C5H6S Thiophene, 2-methyl- c554143  
1814 C5H6S Thiophene, 3-methyl- c616444  
1815 C4H6O2 γ–Butyrolactone c96480  
1816 C4H6O2 2,3-Butanedione c431038  
1817 C4H6O2 2-Propenoic acid, methyl ester c96333  
1818 C4H6O2 Crotonic Acid crot  
1819 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1820 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1821 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1822 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1823 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1824 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1825 C4H6OS Vinyl sulfoxide c1115157  
1826 CH6N4S Carbonothioic dihydrazide thiacarb  
1827 C2H6N2O2 (E)-Azodioxymethane c37765154  
1828 C2H6N2O2 Dimethylnitroamine c4164287  
1829 C3H6O3 1,3,5-Trioxane trioxane  
1830 C3H6S3 1,3,5-Trithiane c3h6s3  
1831 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1832 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1833 C4H7NO 2-Pyrrolidinone c616455  
1834 C4H7NO Ethoxyacetonitrile etoaccn  
1835 C4H7NO Methacrylamide c79390  
1836 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1837 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1838 C3H7ONO Propyl nitrite prono  
1839 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1840 CH3CH(NH2)COOH Alanine alanine  
1841 CH3NHCH2COOH Sarcosine sarcosine  
1842 NH2CH2CH2COOH β–alanine betaalanine  
1843 NH2COOC2H5 Urethane urethane  
1844 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1845 C5H8O Cyclopentanone c120923  
1846 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1847 C5H8O Methyl cyclopropyl ketone c765435  
1848 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1849 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1850 NH2CONHC2H5 Urea, ethyl- c625525  
1851 C4H8O2 1,3-Dioxane dioxan13  
1852 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1853 C4H8O2 1,4-Dioxane dioxan14  
1854 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1855 C4H8O2 Ethyl acetate c141786  
1856 C4H8OS s-Ethyl thioacetate c625605  
1857 C3H8O3 1,2,3-Propanetriol glycerin  
1858 C3H8O2S (Methylsulfonyl)ethane c594434  
1859 C4H9NO Butanamide c541355  
1860 C4H9NO Propanamide, 2-methyl- c563837  
1861 C5H10O 2-Butanone, 3-methyl- c563804  
1862 C5H10O 2H-Pyran, tetrahydro- c142687  
1863 C5H10O 2-methylbutyraldehyde 2meba  
1864 C5H10O 2-Pentanone mpk  
1865 C5H10O 3-Pentanone dek  
1866 C5H10O Cyclopentanol c96413  
1867 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1868 C5H10O Pentanal pal  
1869 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1870 C5H10S 3-Ethylthio-1-propene c5296628  
1871 C5H10S Cyclopentanethiol c1679078  
1872 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1873 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1874 C4H10O2 1,1-Dimethoxyethane c534156  
1875 C4H10O2 1,3-Butanediol budiol13  
1876 C4H10O2 1,4-Butanediol budiol14  
1877 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1878 C4H10OS Diethyl sulfoxide c70291  
1879 C4H10S2 1,4-Butanedithiol budisl14  
1880 C4H11NO Diethylhydroxylamine c3710847  
1881 C5H12O 1-Butanol, 2-methyl- c137326  
1882 C5H12O 1-Butanol, 3-methyl- c123513  
1883 C5H12O 1-Pentanol pentanol1  
1884 C5H12O 2-Butanol, 3-methyl- c598754  
1885 C5H12O 2-Pentanol peol2  
1886 C5H12O 3-Pentanol pentan3ol  
1887 C5H12O Butane, 1-methoxy- meobu  
1888 C5H12O Propane, 1-ethoxy- proet  
1889 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1890 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1891 C5H12S 1-Butanethiol, 3-methyl- c541311  
1892 C5H12S 1-Pentanethiol c110667  
1893 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1894 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1895 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1896 C5H12S Butane, 1-(methylthio)- c628295  
1897 C5H12S Ethyl propyl sulfide c4110503  
1898 C5H12S Propane, 2-(ethylthio)- c5145993  
1899 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1900 C4F2 difluorobutadiyne c4f2  
1901 ClCOClCO Oxalyl chloride oxcl  
1902 CF3CN Acetonitrile, trifluoro- cf3cn  
1903 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1904 B2F4 Diboron tetrafluoride b2f4  
1905 B2Cl4 Diboron tetrachloride b2cl4  
1906 C2F4 Tetrafluoroethylene c2f4  
1907 C2F4+ Tetrafluoroethylene cation c2f4+  
1908 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1909 CF2CCl2 difluorodichloroethylene cf2ccl2  
1910 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1911 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1912 C2FCl3 fluorotrichloroethene c2fcl3  
1913 C2Cl4 Tetrachloroethylene c2cl4  
1914 C2Br4 tetrabromoethene c2br4  
1915 CF3OF Trifluoromethylhypofluorite cf3of  
1916 SOF4 Sulfur tetrafluoride oxide sof4  
1917 PF5 Phosphorus pentafluoride pf5  
1918 AsF5 Arsenic pentafluoride asf5  
1919 PCl5 Phosphorus pentachloride pcl5  
1920 SF5 Sulfur pentafluoride sf5  
1921 SF5+ pentafluoro sulfur cation sf5+  
1922 SbCl5 Antimony pentachloride sbcl5  
1923 BrF5 bromine pentafluoride brf5  
1924 ClF5 chlorinepentafluoride clf5  
1925 IF5 pentafluoroiodine if5  
1926 CF3CHO trifluoroacetaldehyde cf3cho  
1927 CCl3CHO trichloroacetaldehyde ccl3cho  
1928 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1929 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1930 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1931 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1932 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1933 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1934 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1935 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1936 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1937 CF3COOH trifluoroacetic acid cf3cooh  
1938 C4H3ClO Furan, 2-chloro fur2cl  
1939 C4H3ClO Furan,3-chloro fur3cl  
1940 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1941 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1942 C4H8Cl2 1,4-Dichlorobutane c110565  
1943 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1944 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1945 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1946 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1947 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1948 C5H11Cl Pentane, 1-chloro- pencl1  
1949 C4H8O2 Butanoic acid bua  
1950 C6H5CH2 benzyl radical benzyl  
1951 C7H7 cycloheptatrienyl radical c7h7  
1952 C7H7+ cycloheptatrienyl cation c7h7+  
1953 C6H5CH3 toluene toluene  
1954 C7H8 cycloheptatriene cht  
1955 C7H8 Norbornadiene norbor  
1956 C7H8 Quadricyclane qucy  
1957 C7H12 Norbornane nor  
1958 C7H14 cycloheptane c7h14  
1959 C7H16 2-methylhexane 2mhex  
1960 C7H16 3-methylhexane hex3m  
1961 C7H16 heptane heptane  
1962 CH(CN)3 tricyanomethane mecn3  
1963 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1964 C6H7N 2-Methylpyridine mp  
1965 C6H5NH2 aniline aniline  
1966 C6H13N 2-Methylpiperidine pip2m  
1967 C6H13N cyclohexanamine cham  
1968 C6H15N triethylamine tea  
1969 N2O5 Dinitrogen pentoxide n2o5  
1970 C4H2O3 Maleic Anhydride malan  
1971 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1972 C5H4O2 furfural furfural  
1973 C6H5O phenoxy radical phenoxy  
1974 C5H5NO 2(1H)-Pyridinone c72762006  
1975 C5H5NO 2(3H)-Pyridinone c9000048  
1976 C5H5NO 2(5H)-Pyridinone c9000037  
1977 C5H5NO 2-Pyridinol c109104  
1978 C5H5NO 3(2H)-Pyridinone c9000004  
1979 C5H5NO 3(4H)-Pyridinone c9000026  
1980 C5H5NO 3(6H)-Pyridinone c9000015  
1981 C5H5NO 3-Pyridinol c109002  
1982 C5H5NO 4(1H)-Pryidinone c9000060  
1983 C5H5NO 4(3H)-Pryidinone c9000059  
1984 C5H5NO 4-Pyridinol c626642  
1985 C6H5OH phenol phenol  
1986 C6H6O 2,4-Cyclohexadienone c24599573  
1987 C6H6O 2,5-Cyclohexadienone c5664335  
1988 C6H5SH Benzenethiol phsh  
1989 HO2CCHNH2CH2OH Serine serine  
1990 C5H8O2 Acetylacetone acac  
1991 C4H8O2S Sulfolane sulfolane  
1992 C7H10 Norbornene norbornene  
1993 CH(C2H3)3 trivinyl methane tvm  
1994 C6H10O cyclohexanone chexo  
1995 C6H12O hexanal c6h12o  
1996 C6H12O Oxepane oxepane  
1997 C3H7OC3H7 di-n-propyl ether propr  
1998 F2CCCF2 tetrafluoroallene pfa  
1999 CF3COO- trifluoro acetate anion cf3coo-  
2000 CF3COF trifluoroacetyl fluoride cf3cof  
2001 CF3COCl trifluoroacetyl chloride cf3cocl  
2002 PF6 Hexafluorophosphate neutral pf6  
2003 SF6 Sulfur Hexafluoride sf6  
2004 SeF6 Selenium hexafluoride sef6  
2005 CF3CHF2 pentafluoroethane cf3chf2  
2006 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2007 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2008 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2009 CCl3CHCl2 pentachloroethane ccl3chcl2  
2010 C6H5F Fluorobenzene bzf  
2011 C6H5Cl chlorobenzene bzcl  
2012 C6H5Br bromobenzene bzbr  
2013 C8H6 Calicene calicene  
2014 C6H5CCH phenylacetylene phac  
2015 C8H6 benzocyclobutadiene bcbd  
2016 C8H6 Pentalene pentalene  
2017 C6H5CHCH2 Styrene styrene  
2018 C8H8 cubane cubane  
2019 C8H8 cyclooctatetraene cot  
2020 C6H5CH2CH3 Ethylbenzene etbz  
2021 CH3C6H4CH3 meta-xylene mxylene  
2022 CH3C6H4CH3 paraxylene pxylene  
2023 C8H14 Bicyclo[2.2.2]octane bico222  
2024 C8H16 cyclooctane cyclooct  
2025 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2026 C8H18 Octane c8h18  
2027 C6H5CN phenyl cyanide phcn  
2028 C6H12N2 Triethylenediamine ted  
2029 C4O4-- squarate dianion c4o4--  
2030 S4N4 Tetrasulfur tetranitride s4n4  
2031 S8 Octasulfur s8  
2032 C6H4O2 parabenzoquinone pbq  
2033 C4H4N2O2 Uracil uracil  
2034 C6H5CHO benzaldehyde benzal  
2035 C6H5OCH3 Anisole anisole  
2036 C5H9NO2 Proline proline  
2037 C6H12O2 Methyl pivalate c598981  
2038 C6H12O2 Hexanoic acid hexa  
2039 C4F4 tetrafluorcyclobutadiene c4f4  
2040 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2041 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2042 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2043 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2044 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2045 C2F6 hexafluoroethane c2f6  
2046 C2Cl6 hexachloroethane c2cl6  
2047 IF7 Iodine heptafluoride if7  
2048 C6H4F2 metadifluorobenzene mdfb  
2049 C6H4F2 orthodifluorobenzene odfb  
2050 C6H4F2 1,4-difluorobenzene pdfb  
2051 C6H4Cl2 1,2-dichlorobenzene dcb12  
2052 C6H4Cl2 1,3-dichlorobenzene dcb13  
2053 C6H4Cl2 1,4-dichlorobenzene dcb14  
2054 C6H5NO nitrosobenzene bzno  
2055 C9H8 Indene indene  
2056 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2057 C9H12 n-propyl benzene prbz  
2058 C9H20 Nonane nonane  
2059 C(CN)4 tetracyanomethane c5n4  
2060 C5H4N4 purine purine  
2061 C8H7N Indole indole  
2062 C3H3N3O3 cyanuric acid cyanuric  
2063 C6H5NO2 Nitrobenzene c6h5no2  
2064 C6H5COOH benzoic acid benzo  
2065 CH3COC6H5 acetophenone acph  
2066 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2067 C3F6 hexafluoropropene c3f6  
2068 C6H3F3 Benzene trifluoride 123 bzf3a  
2069 C8H18O 1-Octanol octanol  
2070 C10H8 Azulene azu  
2071 C10H8 naphthalene naph  
2072 C10H10 bullvalene bullv  
2073 C10H16 adamantane adamantane  
2074 C6N4 Tetracyanoethylene tcne  
2075 C6N4- tetracyanoethylene anion tcne-  
2076 C10H22 Decane decane  
2077 C4F6 perfluorobutadiene c4f6  
2078 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2079 C3F8 perfluoropropane c3f8  
2080 Fe(CO)5 Iron pentacarbonyl ipc  
2081 Fe(C5H5)2 ferrocene fecp2  
2082 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2083 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2084 C12H8 Acenaphthylene acenaph  
2085 C12H8 biphenylene biph  
2086 C12H10 biphenyl biphenyl  
2087 C12H10 Heptalene heptalene  
2088 C6H12O6 Inositol inositol  
2089 C6F6 hexafluorobenzene c6f6  
2090 S2F10 disulphur decafluoride s2f10  
2091 C13H10 Fluorene fluorene  
2092 C14H10 Anthracene anth  
2093 C14H10 Phenanthrene phenanthrene  
2094 C14H14 Bibenzyl bibenzyl  
2095 C12H10N2 azobenzene azobenzene  
2096 C6H5COC6H5 benzophenone benzophenone  
2097 C16H10 Pyrene pyrene  
2098 C18H12 Tetracene tetracene  
2099 C19H16 Triphenylmethane tpm  
2100 C24H12 Coronene coronene  
2101 C60 Buckminsterfullerene c60