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

List of which calculations are completed at B3LYP /aug-cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 Al Aluminum atom 2PKh
2 Si Silicon atom 3PKh
3 SiH2 silicon dihydride 1A1C2v
4 SiH2 silicon dihydride 3B1C2v
5 SiH3 Silyl radical 2A1C3v
6 SiH4 Silane 1A1Td
7 P Phosphorus atom 4SKh
8 PH3 Phosphine 1A1C3v
9 PH4+ phosphonium cation   
10 S Sulfur atom 3PKh
11 HS Mercapto radical 2ΠC∞v
12 H2S Hydrogen sulfide 1A1C2v
13 H2S+ Hydrogen sulfide cation 2B1C2v
14 H3S+ Sulfonium cation 1A1C3v
15 Cl Chlorine atom 2PKh
16 Cl- Chlorine atom anion 1SKh
17 HCl Hydrogen chloride 1ΣC∞v
18 Ar Argon atom 1SKh
19 BAl Boron Aluminum 3ΣC∞v
20 AlC Aluminum carbide 4ΣC∞v
21 SiC silicon monocarbide 3ΣC∞v
22 SiC silicon monocarbide 1ΣC∞v
23 Si2H6 disilane 1EuD3d
24 P2 Phosphorus diatomic 1ΣgD∞h
25 CH2PH Phosphaethene 1A'Cs
26 LiS Lithium monosulfide 2ΠC∞v
27 LiS+ Lithium sulfide cation 3ΣC∞v
28 NaS Sodium sulfide 2ΠC∞v
29 SiO Silicon monoxide 1ΣC∞v
30 SiS silicon monosulfide 1ΣC∞v
31 GeO Germanium monoxide 1ΣC∞v
32 NS Mononitrogen monosulfide 2ΠC∞v
33 PO Phosphorus monoxide 2ΠC∞v
34 PS phosphorus sulfide 2ΣC∞v
35 SO Sulfur monoxide 3ΣC∞v
36 SO Sulfur monoxide 1ΣC∞v
37 S2 Sulfur diatomic 3ΣgD∞h
38 S2+ sulfur diatomic cation 2ΠD∞h
39 HBS hydrogen boron sulfide 1ΣC∞v
40 H2CS Thioformaldehyde 1A1C2v
41 H2S2 Disulfane 1AC2
42 H2S2+ hydrogen disulfide cation 2BgC2h
43 H3PO Phosphine oxide 1A1C3v
44 CH3SH Methanethiol 1A'Cs
45 CH3SH2+ protonated methylsulfide 1A'Cs
46 LiCl lithium chloride 1ΣC∞v
47 AlF Aluminum monofluoride 1Σ+C∞v
48 AlCl Aluminum monochloride 1ΣC∞v
49 GeCl+ Germanium monochloride cation   
50 NCl nitrogen monochloride 3ΣC∞v
51 SF Monosulfur monofluoride 2ΠC∞v
52 SCl sulfur monochloride 2ΠC∞v
53 SCl+ sulfur monochloride cation 3ΣgC∞v
54 Cl2- chlorine diatomic anion 2ΣuD∞h
55 Cl2+ chlorine diatomic cation 2ΠgD∞h
56 CH3Cl Methyl chloride 1A1C3v
57 SiH3F monofluorosilane 1A1C3v
58 SiH3Cl chlorosilane 1A1C1
59 Si3H8 trisilane   
60 Li2S dilithium sulfide 1ΣGD∞h
61 Li2S dilithium sulfide 1A1C2v
62 Na2S Sodium sulfide   
63 Na2S Sodium sulfide   
64 NNS Nitrogen sulfide 1ΣC∞v
65 OCS Carbonyl sulfide 1ΣC∞v
66 SO2 Sulfur dioxide 1A1C2v
67 S3 Sulfur trimer 1A1C2v
68 S3+ Sulfur trimer cation 2B2C2v
69 CH2CS Thioketene   
70 HSSSH trisulfane 1AC2
71 HSSSH trisulfane 1A'Cs
72 ClNO Nitrosyl chloride 1A'Cs
73 OPCl Phosphorus oxychloride   
74 SiF2 Silicon difluoride 1A1C2v
75 OClO Chlorine dioxide 2B1D∞h
76 ClSO Sulfur chloride oxide 2A"Cs
77 FClO chlorosyl fluoride 1A'Cs
78 ClOF Chlorine hypofluorite 1A'Cs
79 SF2 sulfur difluoride 1A1C2v
80 SCl2 Sulfur dichloride 1A1C2v
81 SiH2F2 difluorosilane   
82 SiH2Cl2 dichlorosilane 1A1C2v
83 S2N2 Disulfur dinitride 1AGD2h
84 SO3 Sulfur trioxide 1A1'D3h
85 ClO2F Chloryl fluoride 1A'Cs
86 F2SO Thionyl Fluoride 1A'Cs
87 FSSF Difluorodisulfane 1AC2
88 S2F2 Thio-thionyl fluoride 1A'Cs
89 ClF3 Chlorine trifluoride 1A1C2v
90 SiHF3 trifluorosilane   
91 SiH3CCl3 (trichloromethyl)silane 1A1C3v
92 SiF5- silicon pentafluoride anion   
93 PF6- Hexafluorophosphate ion 1A1GOh
94 SF5Cl sulfur chloropentafluoride 1A1C4v
95 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 anion al-  
72 Al+ Aluminum atom cation al+  
73 Sc Scandium atom sc  
74 Sc+ Scandium cation sc+  
75 Ga Gallium atom ga  
76 Ga- Gallium atom anion ga-  
77 Ga+ Gallium atom cation ga+  
78 BH Boron monohydride bh  
79 BH- boron monohydride anion bh-  
80 BH+ boron monohydride cation bh+  
81 AlH aluminum monohydride alh  
82 AlH- aluminum monohydride anion alh-  
83 AlH+ aluminum monohydride cation alh+  
84 ScH Scandium monohydride sch  
85 ScH+ Scandium monohydride cation sch+  
86 GaH Gallium monohydride gah  
87 GaH+ Gallium monohydride cation gah+  
88 BH2 boron dihydride bh2  
89 BH2- boron dihydride anion bh2-  
90 BH2+ Boron dihydride cation bh2+  
91 AlH2 aluminum dihydride alh2  
92 AlH2- aluminum dihydride anion alh2-  
93 AlH2+ aluminum dihydride cation alh2+  
94 BH3 boron trihydride bh3  
95 BH3- boron trihydride anion bh3-  
96 BH3+ boron trihydride cation bh3+  
97 AlH3 aluminum trihydride alh3  
98 AlH3- aluminum trihydride anion alh3-  
99 AlH3+ aluminum trihydride cation alh3+  
100 ScH3 Scandium trihydride sch3  
101 GaH3 Gallium trihydride gah3  
102 BH4 borohydride bh4  
103 BH4- borohydride anion bh4-  
104 AlH4- Aluminum tetrahydride anion alh4-  
105 C Carbon atom c  
106 C- Carbon atom anion c-  
107 C+ Carbon atom cation c+  
108 Si- Silicon atom anion si-  
109 Si+ Silicon atom cation si+  
110 Ti Titanium atom ti  
111 Ti- Titanium atom anion ti-  
112 Ti+ Titanium atom cation ti+  
113 Ge Germanium atom ge  
114 Ge- Germanium anion ge-  
115 Ge+ Germanium cation ge+  
116 Sn Tin atom sn  
117 Sn+ Tin cation sn+  
118 CH Methylidyne ch  
119 CH- methylidyne anion ch-  
120 CH+ Methylidyne cation ch+  
121 SiH Silylidyne sih  
122 SiH- silicon monohydride anion sih-  
123 SiH+ silicon monohydride cation sih+  
124 GeH germylidene geh  
125 GeH+ Germaniun monohyrdide cation geh+  
126 CH2 Methylene ch2  
127 CH2- methylene anion ch2-  
128 CH2+ methylene cation ch2+  
129 SiH2- silicon dihydride anion sih2-  
130 SiH2+ silicon dihydride cation sih2+  
131 GeH2 germylene geh2  
132 GeH2- germylene anion geh2-  
133 CH3 Methyl radical ch3  
134 CH3- methyl anion ch3-  
135 CH3+ methyl cation ch3+  
136 SiH3- Silyl anion sih3-  
137 SiH3+ Silyl cation sih3+  
138 GeH3 Germyl radical geh3  
139 GeH3+ germyl cation geh3+  
140 CD4 methane-d4 cd4  
141 CH2D2 methane-d2 ch2d2  
142 CH3D methane-d ch3d  
143 CH4 Methane ch4  
144 CH4- Methane anion ch4-  
145 CH4+ Methane cation ch4+  
146 CHD3 methane-d3 chd3  
147 SiH2D2 silane-d2 sih2d2  
148 SiH4+ Silane cation sih4+  
149 GeH4 Germane geh4  
150 SnH4 Stannane snh4  
151 SiH5+ Silane, protonated sih5+  
152 N Nitrogen atom n  
153 N- Nitrogen atom anion n-  
154 N+ Nitrogen atom cation n+  
155 P- Phosphorus atom anion p-  
156 P+ Phosphorus atom cation p+  
157 V Vanadium atom v  
158 V+ Vanadium atom cation v+  
159 As Arsenic atomic as  
160 As- Arsenic anion as-  
161 As+ Arsenic cation as+  
162 Sb Antimony atom sb  
163 NH Imidogen nh  
164 NH- Imidogen anion nh-  
165 NH+ imidogen cation nh+  
166 PH phosphorus monohydride ph  
167 PH- phosphorus monohydride anion ph-  
168 PH+ phosphorus monohydride cation ph+  
169 AsH Arsenic monohydride ash  
170 AsH+ Arsenic monohydride cation ash+  
171 SbH Antimony monohydride sbh  
172 ND2 Amidogen-d2 nd2  
173 NH2 Amino radical nh2  
174 NH2- amino anion nh2-  
175 NH2+ Amino cation nh2+  
176 PH2 Phosphino radical ph2  
177 PH2- Phosphino anion ph2-  
178 PH2+ Phosphino cation ph2+  
179 AsH2 Arsenic dihydride ash2  
180 AsH2+ Arsenic dihydride cation ash2+  
181 ND3 Ammonia-d3 nd3  
182 NH3 Ammonia nh3  
183 NH3- Ammonia anion nh3-  
184 NH3+ ammonia cation nh3+  
185 PH3+ Phosphine cation ph3+  
186 AsH3 Arsine ash3  
187 AsH3+ Arsine cation ash3+  
188 SbH3 Stibine sbh3  
189 AsH4+ Arsonium ash4+  
190 NH4 Ammonium radical nh4  
191 NH4+ ammonium cation nh4+  
192 PH4 Phosphoranyl radical ph4  
193 O Oxygen atom o  
194 O- Oxygen atom anion o-  
195 O+ Oxygen atom cation o+  
196 S- Sulfur atom anion s-  
197 S+ Sulfur atom cation s+  
198 Cr Chromium atom cr  
199 Se Selenium atom se  
200 Se- Selenium atom anion se-  
201 Se+ Selenium atom cation se+  
202 Te Tellurium atom te  
203 Te+ Tellurium atom cation te+  
204 DO Hydroxyl-d od  
205 OH Hydroxyl radical oh  
206 OH- hydroxide anion oh-  
207 OH+ hydoxyl cation oh+  
208 DS Mercapto-d ds  
209 HS- mercapto anion sh-  
210 HS+ sulfur monohydride cation sh+  
211 CrH Chromium hydride crh  
212 CrH+ Chromium hydride cation crh+  
213 HSe Selenium monohydride hse  
214 HSe- selenium monohydride anion hse-  
215 HSe+ selenium monohydride cation hse+  
216 TeH Telluryl radical teh  
217 D2O Deuterium oxide d2o  
218 H2O Water h2o  
219 H2O- water anion h2o-  
220 H2O+ water cation h2o+  
221 HDO Water-d1 hdo  
222 D2S Hydrogen sulfide-d2 d2s  
223 H2S- Hydrogen sulfide anion h2s-  
224 H2Se Hydrogen selenide h2se  
225 H2Se+ Hydrogen selenide cation h2se+  
226 H2Te Hydrogen Telluride h2te  
227 H3O+ hydronium cation h3o+  
228 H3Se+ Hydrogen Selenide, protonated h3se+  
229 F Fluorine atom f  
230 F- Fluorine atom anion f-  
231 F+ Fluorine atom cation f+  
232 Cl+ Chlorine atom cation cl+  
233 Mn Manganese atom mn  
234 Br Bromine atom br  
235 Br- Bromine atom anion br-  
236 Br+ Bromine atom cation br+  
237 I Iodine atom iodine  
238 I- Iodine atom anion iodine-  
239 I+ Iodine atom cation iodine+  
240 DF Hydrofluoric acid-d df  
241 HF Hydrogen fluoride hf  
242 HF- hydrogen fluoride anion hf-  
243 HF+ hydrogen fluoride cation hf+  
244 DCl Hydrochloric acid-d dcl  
245 HCl- hydrogen chloride anion hcl-  
246 HCl+ hydrogen chloride cation hcl+  
247 HBr hydrogen bromide hbr  
248 HBr- hydrogen bromide anion hbr-  
249 HBr+ hydrogen bromide cation hbr+  
250 HI Hydrogen iodide hi  
251 HI+ Hydrogen iodide cation hi+  
252 H2F+ dihydrogen fluoride cation h2f+  
253 H2Cl+ dihydrogen monochloride cation h2cl+  
254 H2Br+ protonated hydrogen bromide h2br+  
255 H2I+ Iodonium h2i+  
256 Ne Neon atom ne  
257 Ne- Neon atom anion ne-  
258 Ne+ Neon atom cation ne+  
259 Ar- Argon atom anion ar-  
260 Ar+ Argon atom cation ar+  
261 Fe Iron atom fe  
262 Kr Krypton atom kr  
263 Kr+ Krypton cation kr+  
264 Xe Xenon atom xe  
265 HeLi+ Helium Lithium cation heli+  
266 NeH neon hydrogen neh  
267 NeH+ neon hydrogen cation neh+  
268 ArH+ Argon hydride cation arh+  
269 KrH+ Protonated Krypton krh+  
270 XeH+ Xenon, protonated xeh+  
271 H2Ar H2 Ar dimer h2ar  
272 Co Cobalt atom cobalt  
273 Ni Nickel atom ni  
274 Li2 Lithium diatomic li2  
275 Li2- lithium diatomic anion li2-  
276 Li2+ lithium diatomic cation li2+  
277 NaLi lithium sodium lina  
278 NaLi- lithium sodium anion lina-  
279 NaLi+ lithium sodium cation lina+  
280 LiK Lithium Potassium lik  
281 Na2 Sodium diatomic na2  
282 Na2- sodium diatomic anion na2-  
283 Na2+ sodium diatomic cation na2+  
284 NaK Sodium Potassium nak  
285 NaK+ Sodium Potassium diatomic cation nak+  
286 K2 Potassium diatomic k2  
287 Cu2 Copper diatomic cu2  
288 LiBe Lithium Beryllium libe  
289 LiMg Lithium magnesium limg  
290 NaBe Sodium Beryllium nabe  
291 NaMg Sodium Magnesium namg  
292 Be2 Beryllium diatomic be2  
293 Be2- Beryllium diatomic anion be2-  
294 Be2+ Beryllium diatomic cation be2+  
295 BeMg Beryllium Magnesium bemg  
296 Mg2 Magnesium diatomic mg2  
297 Mg2- magnesium diatomic anion mg2-  
298 Mg2+ magnesium diatomic cation mg2+  
299 Ca2 Calcium diatomic ca2  
300 LiB Lithium boride lib  
301 LiAl Lithium Aluminum lial  
302 NaAl Sodium aluminum naal  
303 BeB Beryllium monoboride beb  
304 B2 Boron diatomic b2  
305 B2- Boron diatomic anion b2-  
306 B2+ Boron diatomic cation b2+  
307 Al2 Aluminum diatomic al2  
308 Al2- aluminum diatomic anion al2-  
309 Al2+ aluminum diatomic cation al2+  
310 BGa Boron Gallium bga  
311 AlGa Aluminum Gallium alga  
312 Ga2 Gallium diatomic ga2  
313 HBBH Diborane(2) hbbh  
314 LiBH4 Lithium borohydride libh4  
315 B2H4 Diborane(4) D2d b2h4  
316 HBHHBH Diborane(4) C2V hbhhbh  
317 B2H6 Diborane b2h6  
318 B2H6+ Diborane cation b2h6  
319 Al2H6 dialane al2h6  
320 Ga2H6 digallane ga2h6  
321 LiC Lithium Carbide lic  
322 BeC Beryllium Carbide bec  
323 CaC Calcium monocarbide cac  
324 BC boron monocarbide bc  
325 BC- boron monocarbide anion bc-  
326 BC+ boron monocarbide cation bc+  
327 BSi Boron silicide bsi  
328 C2 Carbon diatomic c2  
329 C2- carbon diatomic anion c2-  
330 C2+ carbon diatomic cation c2+  
331 SiC- silicon monocarbide anion sic-  
332 SiC+ silicon monocarbide cation sic+  
333 Si2 Silicon diatomic si2  
334 Si2- silcon diatomic anion si2-  
335 Si2+ silcon diatomic cation si2+  
336 GeC Germanium monocarbide gec  
337 SiGe Silicon Germanium sige  
338 Ge2 Germanium diatomic ge2  
339 C2H Ethynyl radical c2h  
340 C2H- Ethynyl anion c2h-  
341 C2H+ Ethynyl cation c2h+  
342 ZnCH2 Zinc methylene znch2  
343 C2H2 Acetylene c2h2  
344 C2H2+ acetylene cation c2h2+  
345 CCH2 vinylidene vinylidene  
346 H2CC- vinylidene anion h2cc-  
347 HCCH- acetylene anion c2h2-  
348 Si2H2 disilyne si2h2  
349 CH3Li methyl lithium ch3li  
350 CuCH3 monomethyl copper cuch3  
351 ZnCH3 Zinc monomethyl znch3  
352 CH2BH methyleneborane ch2bh  
353 C2H3 vinyl c2h3  
354 C2H3- vinyl anion c2h3-  
355 C2H3+ vinyl cation c2h3+  
356 C2H4 Ethylene c2h4  
357 C2H4- Ethylene anion c2h4-  
358 C2H4+ Ethylene cation c2h4+  
359 CH3CH methylmethylene ch3ch  
360 CH2SiH2 silaethylene ch2sih2  
361 Si2H4 Disilene si2h4  
362 CH3BH2 methylborane ch3bh2  
363 C2H5 Ethyl radical c2h5  
364 C2H5- Ethyl anion c2h5-  
365 C2H5+ Ethyl cation c2h5+  
366 C2H6 Ethane c2h6  
367 C2H6+ ethane cation c2h6+  
368 CH3SiH3 methyl silane ch3sih3  
369 GeH3CH3 methyl germane geh3ch3  
370 C2H7+ Ethane, protonated c2h7+  
371 LiN Lithium Nitride lin  
372 LiN+ Lithium Nitride cation lin+  
373 LiP Lithium monophosphide lip  
374 BeN Beryllium mononitride ben  
375 BeN- Beryllium mononitride anion ben-  
376 BeN+ Beryllium mononitride cation ben+  
377 MgN Magnesium Nitride mgn  
378 BN- boron nitride anion bn-  
379 AlN- aluminum mononitride anion aln-  
380 AlN+ aluminum mononitride cation aln+  
381 BP Boron monophosphide bp  
382 AlP Aluminum monophosphide alp  
383 GaN Gallium mononitride gan  
384 GaP Gallium monophosphide gap  
385 GaAs Gallium arsenide gaas  
386 BN boron nitride bn  
387 BN+ boron nitride cation bn+  
388 AlN Aluminum nitride aln  
389 CN Cyano radical cn  
390 CN- cyanide anion cn-  
391 CN+ Cyano cation cn+  
392 CP Carbon monophosphide cp  
393 CP- carbon monophosphide anion cp-  
394 CP+ carbon monophosphide cation cp+  
395 SiN Silicon nitride sin  
396 SiN- silicon mononitride anion sin-  
397 SiN+ silicon mononitride cation sin+  
398 SiP Silicon monophosphide sip  
399 SiP- Silicon monophosphide anion sip-  
400 SiP+ Silicon monophosphide cation sip+  
401 TiN Titanium mononitride tin  
402 N2 Nitrogen diatomic n2  
403 N2- nitrogen diatomic anion n2-  
404 N2+ diatomic nitrogen cation n2+  
405 PN Phosphorus mononitride pn  
406 PN- phosphorus nitride anion pn-  
407 PN+ phosphorus nitride cation pn+  
408 P2- phosphorus diatomic anion p2-  
409 P2+ phosphorus diatomic cation p2+  
410 AsN Arsenic mononitride asn  
411 AsP Arsenic monophosphide asp  
412 SbN Antimony nitride sbn  
413 As2 Arsenic diatomic as2  
414 HNB hydrogen nitrogen boron hnb  
415 HNC hydrogen isocyanide hnc  
416 HCN Hydrogen cyanide hcn  
417 HCN- Hydrogen cyanide anion hcn-  
418 HCN+ hydrogen cyanide cation hcn+  
419 HNC+ hydrogen isocyanide cation hnc+  
420 HCP Phosphaethyne hcp  
421 HCP+ Phosphaethyne cation hcp+  
422 NNH Dinitrogen monohydride nnh  
423 NNH+ Dinitrogen monohydride cation nnh+  
424 HPO Hydrogen phosphorus oxide hpo  
425 HPO+ Hydrogen phosphorus oxide cation hpo+  
426 LiNH2 lithium amide linh2  
427 HBNH Boranimine hbnh  
428 CNH2 Aminomethylidyne radical cnh2  
429 CNH2+ N-protonated hydrogen isocyanide cnh2+  
430 H2CN Dihydrogen cyanide radical h2cn  
431 H2CN+ hydrocyanonium cation h2cn+  
432 HCNH methyleneazane hcnh  
433 HCNH+ N-protonated HCN hcnh+  
434 H2NN Isodiazene h2nn  
435 N2H2 (E)-diazene n2h2  
436 N2H2 (Z)-Diazene n2h2z  
437 N2H2+ trans-diazene cation n2h2+  
438 CH2NH Methanimine ch3n  
439 CH2NH+ Methanimine cation ch2nh+  
440 CHNH2 aminomethylene chnh2  
441 CHNH2+ Aminocarbene cation chnh2+  
442 BH2NH2 Boranamine bh2nh2  
443 CH2NH2+ methyleneamine cation ch2nh2+  
444 N2H4 Hydrazine n2h4  
445 N2H4+ hydrazine cation n2h4+  
446 P2H4 Diphosphine p2h4  
447 CH3NH2 methyl amine ch3nh2  
448 CH3NH2+ methyl amine cation ch3nh2+  
449 CH3PH2 Methyl phosphine ch3ph2  
450 SiH3NH2 Silane, amino sih3nh2  
451 N2H5+ protonated hydrazine n2h5+  
452 BH3PH3 borane phosphine bh3ph3  
453 BH3NH3 borane ammonia bh3nh3  
454 CH3NH3 methyl ammonium radical ch3nh3  
455 CH3NH3+ protonated methylamine ch3nh3+  
456 CH3PH3+ methyl phosphine, protonated ch3ph3+  
457 NH3NH3 Ammonia Dimer nh3nh3  
458 N2H7+ ammonia ammonium dimer n2h7+  
459 LiO lithium oxide lio  
460 LiO- lithium oxide anion lio-  
461 LiO+ lithium oxide cation lio+  
462 NaO sodium monoxide nao  
463 NaO- sodium oxide anion nao-  
464 NaO+ sodium oxide cation nao+  
465 KO Potassium monoxide ko  
466 KO+ Potassium monoxide cation ko+  
467 CuO Copper Monoxide cuo  
468 LiSe Lithium monoselenide lise  
469 BeO beryllium oxide beo  
470 BeO- Beryllium monoxide anion beo-  
471 BeO+ Beryllium monoxide cation beo+  
472 BeS beryllium sulfide bes  
473 MgO magnesium oxide mgo  
474 MgO- magnesium oxide anion mgo-  
475 MgO+ magnesium oxide cation mgo+  
476 CaO Calcium monoxide cao  
477 MgS magnesium sulfide mgs  
478 MgS- magnesium sulfide anion mgs-  
479 MgS+ magnesium sulfide cation mgs+  
480 CaS Calcium sulfide cas  
481 ZnO zinc monoxide zno  
482 ZnS Zinc sulfide zns  
483 BeS- Beryllium monosulfide anion bes-  
484 BeS+ Beryllium monosulfide cation bes+  
485 BO boron monoxide bo  
486 BO- boron monoxide anion bo-  
487 AlO Aluminum monoxide alo  
488 AlO- Aluminum monoxide anion alo-  
489 AlO+ aluminum monoxide cation alo+  
490 BS boron sulfide bs  
491 BS- boron monosulfide anion bs-  
492 BS+ boron monosulfide cation bs+  
493 AlS Aluminum sulfide als  
494 AlS- aluminum monosulfide anion als-  
495 AlS+ aluminum monosulfide cation als+  
496 ScO Scandium monoxide sco  
497 GaO Gallium monoxide gao  
498 GaS Gallium monosulfide gas  
499 BO+ boron monoxide cation bo+  
500 CO Carbon monoxide co  
501 CO- carbon monoxide anion co-  
502 CO+ carbon monoxide cation co+  
503 CS carbon monosulfide cs  
504 CS- carbon monosulfide anion cs-  
505 CS+ carbon monosulfide cation cs+  
506 SiO- silicon monoxide anion sio-  
507 SiO+ silicon monoxide cation sio+  
508 SiS- silicon monosulfide anion sis-  
509 SiS+ silicon monosulfide cation sis+  
510 TiO Titanium monoxide tio  
511 CSe Carbon monoselenide cse  
512 CSe- Carbon monoselenide anion cse-  
513 CSe+ Carbon monoselenide cation cse+  
514 GeO+ Germanium monoxide cation geo+  
515 GeS Germanium monosulfide ges  
516 SiSe Silicon Monoselenide sise  
517 SiSe+ Silicon Monoselenide cation sise+  
518 GeSe Germanium monoselenide gese  
519 NO Nitric oxide no  
520 NO- nitric oxide anion no-  
521 NO+ nitric oxide cation no+  
522 NS- nitrogen sulfide anion ns-  
523 NS+ nitrogen sulfide cation ns+  
524 PO- phosphorus monoxide anion po-  
525 PO+ phosphorus monoxide cation po+  
526 PS- phosphorus monosulfide anion ps-  
527 PS+ phosphorus monosulfide cation ps+  
528 VO Vanadium monoxide vo  
529 AsO Arsenic monoxide aso  
530 NSe Nitrogen monoselenide nse  
531 AsS Arsenic monosulfide ass  
532 PSe Phosphorus monoselenide pse  
533 AsSe Arsenic monoselenide asse  
534 O2 Oxygen diatomic o2  
535 O2- oxygen diatomic anion o2-  
536 O2-- dioxygen dianion o2--  
537 O2+ diatomic oxygen cation o2+  
538 SO- sulfur monoxide anion so-  
539 SO+ sulfur monoxide cation so+  
540 S2- sulfur diatomic anion s2-  
541 SeO Selenium monoxide seo  
542 SeO- selenium monoxide anion seo-  
543 SeO+ selenium monoxide cation seo+  
544 SeS Selenium monosulfide ses  
545 SeS- selenium monosulfide anion ses-  
546 SeS+ selenium monosulfide cation ses+  
547 TeO Tellurium monoxide teo  
548 Se2 Selenium diatomic se2  
549 Se2- selenium diatomic anion se2-  
550 Se2+ selenium diatomic cation se2+  
551 Te2 Tellurium diatomic te2  
552 LiOH lithium hydroxide lioh  
553 NaOH sodium hydroxide naoh  
554 KOH Potassium hydroxide koh  
555 BeOH beryllium monohydroxide beoh  
556 MgOH magnesium hydroxide mgoh  
557 CaOH Calcium monohydroxide caoh  
558 HBO Boron hydride oxide hbo  
559 COH Hydroxymethylidyne coh  
560 COH+ Carbon Monoxide, protonated coh+  
561 HCO Formyl radical hco  
562 HCO- formyl anion hco-  
563 HCO+ Formyl cation hco+  
564 HCS Thioformyl radical hcs  
565 HCS- Thioformyl anion hcs-  
566 HCS+ Thioformyl cation hcs+  
567 HNO Nitrosyl hydride hno  
568 HNO- Nitrosyl hydride anion hno-  
569 HNO+ Nitrosyl hydride cation hno+  
570 NOH Hydroxyimidogen noh  
571 NOH+ O-protonated nitric oxide noh+  
572 HNS Sulfur imide hns  
573 HNS- Sulfur imide anion hns-  
574 HO2 Hydroperoxy radical ho2  
575 HO2- Hydroperoxy anion ho2-  
576 HO2+ Hydroperoxy cation ho2+  
577 HSO+ Sulfur Monoxide, S-protonated HSO+  
578 SOH Sulfur Hydroxide soh  
579 SOH+ Sulfur Monoxide, protonated soh+  
580 HS2 Thiosulfeno radical hs2  
581 H2CO Formaldehyde h2co  
582 H2CO- formaldehyde anion h2co-  
583 H2CO+ formaldehyde cation h2co+  
584 HOCH hydroxycarbene hoch  
585 H2CS- thioformaldehyde anion h2cs-  
586 H2CS+ thioformaldehyde cation h2cs+  
587 H2CSe Selenoformaldehyde h2cse  
588 H2NO nitroxide h2no  
589 H2O2 Hydrogen peroxide h2o2  
590 H2O2+ Hydrogen peroxide cation h2o2+  
591 H2OO water oxide h2oo  
592 HOSH hydrogen thioperoxide hosh  
593 H2Se2 hydrogen diselenide h2se2  
594 CH2OH Hydroxymethyl radical ch2oh  
595 CH2OH+ hydroxymethyl cation ch2oh+  
596 CH3O Methoxy radical ch3o  
597 CH3O- methoxy anion ch3o-  
598 CH3O+ Methoxy cation ch3o+  
599 CH3S thiomethoxy ch3s  
600 H2CSH+ Thioformaldehyde, protonated h2csh+  
601 NH2OH hydroxylamine nh2oh  
602 NH2OH+ Hydroxylamine cation nh2oh+  
603 NH3O Ammonia Oxide nh3o  
604 H2POH Phosphinous acid h2poh  
605 NH2SH Thiohydroxylamine nh2sh  
606 NH3S sulfidoazane nh3s  
607 H3O2+ hydrogen peroxide, protonated h3o2+  
608 CH3OH Methyl alcohol ch3oh  
609 CH3OH- Methyl alcohol anion ch3oh-  
610 CH3OH+ Methyl alcohol cation ch3oh+  
611 CH3SH+ Methanethiol cation ch3sh+  
612 SiH3OH silanol sih3oh  
613 CH3SeH Methane selenol ch3seh  
614 NH2OH2+ protonated hydroxylamine nh2oh2+  
615 NH3OH+ N-protonated hydroxylamine nh3oh+  
616 H2OH2O water dimer h2oh2o  
617 CH3OH2+ Methanol, protonated ch3oh2+  
618 H2ONH3 Water Ammonia Dimer h2onh3  
619 H5O2+ Dihydroxonium ion h5o2+  
620 LiF lithium fluoride lif  
621 LiCl- lithium chloride anion licl-  
622 LiCl+ lithium chloride cation licl+  
623 NaF sodium fluoride naf  
624 NaF- sodium fluoride anion naf-  
625 NaF+ sodium fluoride cation naf+  
626 KF Potassium Fluoride kf  
627 NaCl Sodium Chloride nacl  
628 NaCl- sodium chloride anion nacl-  
629 NaCl+ sodium chloride cation nacl+  
630 KCl Potassium Chloride kcl  
631 CuF Copper monofluoride cuf  
632 LiBr Lithium Bromide libr  
633 LiBr- lithium bromide anion libr-  
634 LiBr+ lithium bromide cation libr+  
635 CuCl Copper monochloride cucl  
636 NaBr Sodium Bromide nabr  
637 NaBr- sodium bromide anion nabr-  
638 NaBr+ sodium bromide cation nabr+  
639 KBr Potassium Bromide kbr  
640 LiI Lithium Iodide lii  
641 NaI Sodium Iodide nai  
642 KI Potassium Iodide ki  
643 LiF- lithium fluoride anion lif-  
644 LiF+ lithium fluoride cation lif+  
645 BeF Beryllium monofluoride bef  
646 BeF- Beryllium monofluoride anion bef-  
647 BeF+ Beryllium monofluoride cation bef+  
648 BeCl beryllium monochloride becl  
649 MgF Magnesium monofluoride mgf  
650 MgF- magnesium fluoride anion mgf-  
651 MgF+ magnesium fluoride cation mgf+  
652 CaF Calcium monofluoride caf  
653 MgCl magnesium monochloride mgcl  
654 MgCl- magnesium monochloride anion mgcl-  
655 MgCl+ magnesium monochloride cation mgcl+  
656 CaCl calcium monochloride cacl  
657 TiCl Titanium Monochloride ticl  
658 ZnF Zinc monofluoride znf  
659 ZnF- Zinc monofluoride anion znf-  
660 ZnF+ Zinc monofluoride cation znf+  
661 ZnCl Zinc monochloride zncl  
662 CaBr Calcium monobromide cabr  
663 BeCl- beryllium monochloride anion becl-  
664 BeCl+ beryllium monochloride cation becl+  
665 BF Boron monofluoride bf  
666 BF- Boron monofluoride anion bf-  
667 BF+ Boron monofluoride cation bf+  
668 AlF- Aluminum monofluoride anion alf-  
669 AlF+ Aluminum monofluoride cation alf+  
670 BCl boron monochloride bcl  
671 BCl- boron monochloride anion bcl-  
672 BCl+ boron monochloride cation bcl+  
673 AlCl- aluminum monochloride anion alcl-  
674 AlCl+ aluminum monochloride cation alcl+  
675 ScF Scandium monofluoride scf  
676 BBr Boron monobromide bbr  
677 GaF Gallium monofluoride gaf  
678 GaF+ Gallium monofluoride cation gaf+  
679 AlBr Aluminum monobromide albr  
680 GaCl Gallium monochloride gacl  
681 GaCl+ Gallium monochloride cation gacl+  
682 AlI Aluminum monoiodide ali  
683 GaBr Gallium monobromide gabr  
684 CF Fluoromethylidyne cf  
685 CF- carbon monofluoride anion cf-  
686 CF+ carbon monofluoride cation cf+  
687 CCl carbon monochloride ccl  
688 CCl- carbon monochloride anion ccl-  
689 CCl+ carbon monochloride cation ccl+  
690 SiF silicon monofluoride sif  
691 SiF- silicon monofluoride anion sif-  
692 SiF+ silicon monofluoride cation sif+  
693 SiCl Clorosilylidyne sicl  
694 SiCl- silicon monochloride anion sicl-  
695 SiCl+ silicon monochloride cation sicl+  
696 CBr Carbon monobromide cbr  
697 GeF Germanium monofluoride gef  
698 GeF+ Germanium monofluoride cation gef+  
699 GeCl Germanium monochloride gecl  
700 SiBr Silicon monobromide sibr  
701 SiBr+ Silicon monobromide cation sibr+  
702 NF nitrogen fluoride nf  
703 NF- nitrogen monofluorine anion nf-  
704 NF+ nitrogen monofluoirde cation nf+  
705 NCl- nitrogen monochloride anion ncl-  
706 NCl+ nitrogen monochloride cation ncl+  
707 PF phosphorus monofluoride pf  
708 PF- phosphorus monofluoride anion pf-  
709 PF+ phosphorus monofluoride cation pf+  
710 PCl phosphorus chloride pcl  
711 PCl- phosphorus monochloride anion pcl-  
712 PCl+ phosphorus monochloride cation pcl+  
713 AsF Arsenic monofluoride asf  
714 NBr nitrogen monobromide nbr  
715 AsCl Arsenic monochloride ascl  
716 PBr Phosphorus monobromide pbr  
717 SbF Antimony monofluoride sbf  
718 SbCl Antimony monochloride sbcl  
719 FO Oxygen monofluoride fo  
720 FO- flourine oxide anion fo-  
721 FO+ fluorine monoxide cation fo+  
722 ClO Monochlorine monoxide clo  
723 ClO- chlorine monoxide anion clo-  
724 ClO+ chlorine monoxide cation clo+  
725 SF- sulfur monofluoride anion sf-  
726 SF+ sulfur monofluoride cation sf+  
727 SCl- sulfur monochloride anion scl-  
728 BrO Bromine monoxide bro  
729 BrO- Bromine monoxide anion bro-  
730 BrO+ Bromine monoxide cation bro+  
731 SeF Selenium monofluoride sef  
732 SBr Sulfur monobromide radical sbr  
733 SBr+ Sulfur monobromide cation sbr+  
734 SeCl Selenium monochloride secl  
735 IO Iodine monoxide io  
736 SeBr Selenium monobromide sebr  
737 BrCl Bromine monochloride brcl  
738 F2 Fluorine diatomic f2  
739 F2- flourine diatomic anion f2-  
740 F2+ flourine diatomic cation f2+  
741 ClF Chlorine monofluoride clf  
742 ClF- clorine monofluoride anion clf-  
743 ClF+ clorine monofluoride cation clf+  
744 Cl2 Chlorine diatomic cl2  
745 BrF Bromine monofluoride brf  
746 BrF- bromine fluoride anion brf-  
747 BrF+ bromine fluoride cation brf+  
748 BrCl- bromine chloride anion brcl-  
749 BrCl+ bromine chloride cation brcl+  
750 IF Iodine monofluoride if  
751 Br2 Bromine diatomic br2  
752 Br2- bromine diatomic anion br2-  
753 Br2+ bromine diatomic cation br2+  
754 ICl Iodine monochloride icl  
755 IBr Iodine monobromide ibr  
756 I2 Iodine diatomic i2  
757 I2+ Iodine diatomic cation i2+  
758 HCF Fluoromethylene hcf  
759 HCCl Chloromethylene hccl  
760 HSiF fluorosilylene hsif  
761 HSiCl Chlorosilylene hsicl  
762 HSiBr monobromosilylene hsibr  
763 CHBr bromomethylene chbr  
764 HOF Hypofluorous acid hfo  
765 DOCl Hypochlorous acid-d docl  
766 HOCl hypochlorous acid hocl  
767 HOCl+ hypochlorous acid cation hocl+  
768 HOBr Hypobromous acid hobr  
769 HOBr+ Hypobromous acid cation hobr+  
770 HOI Hypoiodous acid hoi  
771 F2H+ Fluorine, protonated f2h+  
772 FHF Hydrogen difluoride fhf  
773 FHF- Hydrogen difluoride anion fhf-  
774 ClFH+ Chlorine fluoride, F-protonated clfh+  
775 FClH+ Chlorine fluoride, Cl-protonated fclh+  
776 Cl2H+ Chlorine, protonated cl2h+  
777 CH2Br bromomethyl radical ch2br  
778 CH2F fluoromethyl radical ch2f  
779 CH2F+ fluoromethyl cation ch2f+  
780 CH2Cl+ chloromethyl cation ch2cl+  
781 CH2Cl chloromethyl radical ch2cl  
782 NH2F monofluoroamine nh2f  
783 NH2Cl chloramine nh2cl  
784 H2F2 Hydrogen fluoride dimer h2f2  
785 CH3F+ methyl fluoride cation ch3f+  
786 CD3F methylfluoride-d3 cd3f  
787 CH3F Methyl fluoride ch3f  
788 CD3Cl methyl chloride d3 cd3cl  
789 CH3Cl+ Methyl chloride cation ch3cl+  
790 CH3Br methyl bromide ch3br  
791 GeH3F monofluorogermane geh3f  
792 GeH3Cl monochlorogermane geh3cl  
793 SiH3Br bromosilane sih3br  
794 CH3I methyl iodide ch3i  
795 SiH3I Silyl Iodide sih3i  
796 NH3Cl+ protonated monochloroammonia nh3cl+  
797 CH3ClH+ methyl chloride, protonated ch3clh+  
798 NH4Cl Ammonium chloride nh4cl  
799 LiNe+ Lithium Neon cation line+  
800 Ne2 Neon diatomic ne2  
801 Ne2+ Neon diatomic cation ne2+  
802 Ar2 Argon diatomic ar2  
803 Ar2+ Argon diatomic cation ar2+  
804 Li3 Lithium trimer li3  
805 Li3+ Lithium trimer cation li3+  
806 C3 carbon trimer c3  
807 C3+ carbon trimer cation c3+  
808 SiC2 Silicon dicarbide sic2  
809 C3H3 cyclopropenyl radical cpr  
810 C3H3 Propargyl radical propargyl  
811 C3H3- Propargyl anion c3h3-  
812 C3H3+ cyclopropenyl cation cpr+  
813 C3H3+ Propargyl cation c3h3+  
814 C3H4 cyclopropene cprop  
815 CH2CCH2 allene allene  
816 CH3CCH propyne propyne  
817 C3H5 Allyl radical allyl  
818 C3H5+ Allyl cation allyl+  
819 CH3CHCH 1-propenyl radical ch3chch  
820 Zn(CH3)2 dimethyl zinc dmz  
821 C3H6 Cyclopropane c3h6  
822 CH2CHCH3 Propene propene  
823 C3H7 n-Propyl radical npropyl  
824 C3H7+ cyclopropane, protonated c3h7+  
825 CH3CHCH3 Isopropyl radical isopropyl  
826 CH3CHCH3+ Isopropyl cation prop2yl+  
827 C3H8 Propane propane  
828 SiH2(CH3)2 dimethylsilane dms  
829 LiCN lithium cyanide licn  
830 NaCN Sodium Cyanide nacn  
831 KCN Potassium cyanide kcn  
832 CuCN Copper cyanide cucn  
833 ZnCN Zinc monocyanide zncn  
834 ZnNC Zinc isocyanide znnc  
835 AlCN Aluminum monocyanide alcn  
836 AlNC Aluminum isocyanide alnc  
837 CN2 3H-Diazirin-3-ylidene cn2  
838 CNN Diazocarbene cnn  
839 NCN Cyanoimidogen ncn  
840 N3 azide radical n3  
841 N3- azide anion n3-  
842 N3+ azide cation n3+  
843 HCCN cyanomethylene hccn  
844 HCNN diazomethyl radical hcnn  
845 HN3 hydrogen azide hn3  
846 HN3+ Hydrazoic acid cation hn3+  
847 HNCNH diiminomethane hncnh  
848 CH2N2 diazirine ch2n2  
849 CH2NN diazomethane ch2nn  
850 NH2CN cyanamide cyanamide  
851 HNNNH+ 1,2-Triazadienium n2h3+  
852 NH2NN+ hydrazoic acid, protonated nh2nn+  
853 CH3CN Acetonitrile ch3cn  
854 CH3CN- acetonitrile anion ch3cn-  
855 CH3CN+ Acetonitrile cation ch3cn+  
856 CH3NC methyl isocyanide ch3nc  
857 CHNCH2 2H-Azirine c157164  
858 CHNHCH 1H-Azirine chnhch  
859 H2CCNH Ethenimine ch2cnh  
860 H2CNCH methyleneaminomethylene ch2nch  
861 HCCNH2 Ethynamine hccnh2  
862 HCNCH2+ 2H-Azirine cation hcnch2+  
863 HNCNH2+ diiminomethane, protonated hncnh2+  
864 NCNH3+ Cyanamide, protonated ncnh3+  
865 NH2CNH+ cyanamide, cn protonated nh2cnh+  
866 NH3CN+ cyanamide, amine protonated nh3cn+  
867 CH2CHNH vinylazine ch2chnh  
868 CH3CHN methylmethaniminyl radical ch3chn  
869 NHCHNH2 aminomethanimine cn2h4  
870 C2H5N Aziridine c2h5n  
871 CH2CHNH2 aminoethene aminoethene  
872 CH2NCH3 N-methylmethanimine nmm  
873 CH3CHNH ethanimine ethanimine  
874 NH2BHNH2 diaminoborane nh2bhnh2  
875 C2H5NH+ Protonated Aziridine c2h5nh+  
876 C2H6N+ aziridine, protonated c2h6n+  
877 NH2CH2NH2 diaminomethane nh2ch2nh2  
878 CH3CH2NH2 Ethylamine etam  
879 CH3NHCH3 Dimethylamine ch3nhch3  
880 CH3PHCH3 dimethylphosphine ch3phch3  
881 NH2CH2NH3+ diaminoethane, protonated pdam  
882 (CH3)2NH2+ dimethylammonium cation dmam  
883 CH3CH2NH3+ ethylamine, protonated pea  
884 Li2O dilithium oxide li2o  
885 Li2O+ dilithium oxide cation li2o+  
886 Na2O disodium monoxide na2o  
887 LiO2 Lithium dioxide lio2  
888 NaO2 Sodium superoxide nao2  
889 CCO Dicarbon monoxide cco  
890 CNO- fulminate cno-  
891 NCO isocyanato radical nco  
892 NCO- cyanate nco-  
893 SCN thiocyanato radical scn  
894 SCN- thiocyanide anion scn-  
895 BO2 Boron dioxide bo2  
896 BO2- Boron dioxide anion bo2-  
897 BO2+ Boron dioxide cation bo2+  
898 N2O Nitrous oxide n2o  
899 N2O- Nitrous oxide anion n2o-  
900 N2O+ Nitrous oxide cation n2o+  
901 PPO Phosphorus oxide phosphide ppo  
902 CO2 Carbon dioxide co2  
903 CO2- Carbon dioxide anion co2-  
904 CO2+ Carbon dioxide cation co2+  
905 OCS+ Carbonyl sulfide cation cos+  
906 SiO2 silicon dioxide sio2  
907 CS2 Carbon disulfide cs2  
908 CS2- Carbon disulfide anion cs2-  
909 CS2+ Carbon disulfide cation cs2+  
910 TiO2 Titanium dioxide tio2  
911 SiS2 Silicon disulfide sis2  
912 GeO2 Germanium dioxide geo2  
913 OCSe Carbonyl selenide ocse  
914 SCSe Carbon sulfide selenide scse  
915 GeS2 Germanium disulfide ges2  
916 CSe2 Carbon diselenide cse2  
917 SCTe Carbon sulfide Telluride scte  
918 NO2 Nitrogen dioxide no2  
919 NO2- Nitrogen dioxide anion no2-  
920 NO2+ Nitrogen dioxide cation no2+  
921 NSO sulfinyl amidogen NSO  
922 PO2 Phosphorus dioxide po2  
923 PO2- Phosphorus dioxide anion po2-  
924 PO2+ Phosphorus dioxide cation po2+  
925 SNO Nitrogen oxide sulfide sno  
926 AsO2 Aresenic dioxide aso2  
927 O3 Ozone o3  
928 O3- Ozone anion o3-  
929 O3+ Ozone cation o3+  
930 SO2- Sulfur dioxide anion so2-  
931 SO2+ Sulfur dioxide cation so2+  
932 SSO Disulfur monoxide sso  
933 S3- Sulfur trimer anion s3-  
934 SeO2 Selenium dioxide seo2  
935 SeO2+ Selenium dioxide cation seo2+  
936 TeO2 Tellurium Dioxide teo2  
937 HCCO ketenyl radical ketenyl  
938 CS2H+ Carbon disulfide, protonated cs2h+  
939 HCNO fulminic acid hcno  
940 HNCO Isocyanic acid hnco  
941 HOCN cyanic acid hocn  
942 HNCS Isothiocyanic acid hncs  
943 HSCN thiocyanic acid hscn  
944 HCO2- formate anion hco2-  
945 HNNO nitrosoazane hnno  
946 HNNO+ Nitrous oxide, N-protonated hnno+  
947 NNOH+ Nitrous Oxide, O-protonated nnoh+  
948 HCOO formate neutral radical hcoo  
949 HOCO Hydrocarboxyl radical hoco  
950 HOCO+ Hydrocarboxyl cation hoco+  
951 HNO2 Nitrous acid hno2  
952 HNO2+ nitrous acid cation hno2+  
953 O3H+ protonated ozone o3h+  
954 SO2H+ protonated sulfur dioxide so2h+  
955 C2H2O Oxirene oxirene  
956 CH2CO Ketene ch2co  
957 CH2CO+ Ketene cation ch2co+  
958 HCCOH ethynol hccoh  
959 Be(OH)2 Beryllium hydroxide beo2h2  
960 Mg(OH)2 Magnesium dihydroxide h2mgo2  
961 NH2NO Nitrosamide nh2no  
962 CH2O2 Dioxirane diox  
963 H2COO Dioxymethyl radical h2coo  
964 H2COO+ dioxymethyl cation h2coo+  
965 HCOOH Formic acid ch2o2  
966 H2O3 Hydrogen trioxide h2o3  
967 NaOCH3 Sodium methoxide naoch3  
968 CH2BOH hydroxy(methylene)borane ch2boh  
969 BH3CO Borane carbonyl bh3co  
970 CH3BO Borane, methyloxo- ch3bo  
971 CH2CHO Vinyloxy radical ch2cho  
972 CH2COH+ ketene, protonated ch2coh+  
973 CH3CO Acetyl radical ch3co  
974 CH3CO- Acetyl anion ch3co-  
975 CH3CO+ acetyl cation ch3co+  
976 CH2NOH formaldoxime ch2noh  
977 CH3NO nitrosomethane ch3no  
978 CHONH2 formamide formamide  
979 CNOH3 1,2-oxaziridine cnoh3  
980 HOCHNH hydroxymethylimine hochnh  
981 CHSNH2 thioformamide chsnh2  
982 NHCHSH Methanimidothioic acid nhchsh  
983 CH2OOH CH2OOH radical ch2ooh  
984 CH3OO methylperoxy radical ch3oo  
985 CH3OO- methylperoxy anion ch3oo-  
986 CH3OO+ methylperoxy cation ch3oo+  
987 C2H4O Ethylene oxide c2h4o  
988 C2H4O+ ethylene oxide cation c2h4o+  
989 CH2CHOH ethenol ch2choh  
990 CH3CHO Acetaldehyde ch3cho  
991 CH3CHO+ acetaldehyde cation ch3cho+  
992 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
993 C2H4S Thiirane thiirane  
994 CH2CHSH Ethenethiol ch2chsh  
995 CH3CHS Thioacetaldehyde ch3chs  
996 H2CONH2+ protonated formamide h2conh2+  
997 NH2CHOH+ Formamide, O-protonated nh2choh+  
998 NH3CHO+ Formamide, N-Protonated nh3cho+  
999 CH2(OH)2 methanediol ch2o2h2  
1000 CH3OOH Methyl peroxide ch3ooh  
1001 CH3SSH Hydrogen methyl disulfide ch3ssh  
1002 HSCH2SH Methanedithiol ch4s2  
1003 H2OH2CO water formaldehyde dimer h2oh2co  
1004 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1005 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1006 CH3CH2O Ethoxy radical ethoxy  
1007 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1008 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1009 CH3OCH2 methoxymethyl radical ch3och2  
1010 NH2CH2OH aminomethanol nh2ch2oh  
1011 CH3CH2OH Ethanol etoh  
1012 CH3OCH3 Dimethyl ether meome  
1013 CH3CH2SH ethanethiol etsh  
1014 CH3SCH3 Dimethyl sulfide mesme  
1015 CH3SCH3+ dimethyl sulfide cation mesme+  
1016 CH3SeCH3 dimethylselenide dmse  
1017 CH3OHH2O methanol water dimer ch3ohh2o  
1018 H2OCH3OH water methanol dimer h2och3oh  
1019 CuF2 Copper difluoride cuf2  
1020 ZnF2 Zinc difluoride znf2  
1021 CNF iso cyanogen fluoride cnf  
1022 FCN Cyanogen fluoride fcn  
1023 ClCN chlorocyanogen clcn  
1024 BrCN Cyanogen bromide brcn  
1025 ICN Cyanogen iodide icn  
1026 FBO Boron monofluoride monoxide fbo  
1027 BeF2 Beryllium fluoride bef2  
1028 MgF2 Magnesium fluoride mgf2  
1029 BeCl2 Beryllium chloride becl2  
1030 MgCl2 Magnesium dichloride mgcl2  
1031 CaCl2 Calcium Chloride cacl2  
1032 ZnCl2 Zinc dichloride zncl2  
1033 BeBr2 Beryllium bromide bebr2  
1034 CaBr2 Calcium dibromide cabr2  
1035 CaF2 Calcium difluoride caf2  
1036 FCO Carbonyl fluoride fco  
1037 FCO+ Carbonyl fluoride cation fco+  
1038 ClCO carbonyl monochloride clco  
1039 BF2 Boron difluoride radical bf2  
1040 FNO Nitrosyl fluoride fno  
1041 FNS Thionitrosyl fluoride fns  
1042 FSN Thiazyl fluoride fsn  
1043 BrNO Nitrosyl bromide brno  
1044 INO Nitrosyl iodide ino  
1045 CF2 Difluoromethylene cf2  
1046 CF2- Difluoromethylene anion cf2-  
1047 CF2+ Difluoromethylene cation cf2+  
1048 CFCl chlorofluoromethylene cfcl  
1049 SiF2+ Silicon difluoride cation sif2+  
1050 CCl2 dichloromethylene ccl2  
1051 CCl2- dichloromethylene anion ccl2-  
1052 CCl2+ dichloromethylene cation ccl2+  
1053 SiCl2 Dichlorosilylene sicl2  
1054 GeF2 Germanium difluoride gef2  
1055 GeCl2 Germanium dichloride gecl2  
1056 CBr2 dibromomethylene cbr2  
1057 FOO Dioxygen monofluoride radical foo  
1058 FOO+ Fluorine dioxide cation foo+  
1059 ClOO chloroperoxy radical cloo  
1060 ClOO+ chloroperoxy cation cloo+  
1061 OClO- Chlorine dioxide anion oclo-  
1062 OClO+ Chlorine dioxide cation oclo+  
1063 ClS2 Sulfur chloride cls2  
1064 BrOO Bromine dioxide broo  
1065 OBrO Bromine dioxide radical obro  
1066 NF2 Difluoroamino radical nf2  
1067 NF2+ Difluoroamino cation nf2+  
1068 PF2 Phosphorus difluoride pf2  
1069 PF2+ Phosphorus difluoride cation pf2+  
1070 F2O Difluorine monoxide f2o  
1071 SF2- sulfur difluoride anion sf2-  
1072 SF2+ sulfur difluoride cation sf2+  
1073 Cl2O Dichlorine monoxide cl2o  
1074 SeF2 Selenium difluoride sef2  
1075 BrOCl Bromine hypochlorite brocl  
1076 SeCl2 Selenium Dichloride secl2  
1077 SBr2 Sulfur dibromide sbr2  
1078 SeBr2 Selenium dibromide sebr2  
1079 BrOBr Bromine oxide brobr  
1080 F3- trifluoride anion f3-  
1081 Cl3- trichloride anion cl3-  
1082 Br3- tribromide anion br3-  
1083 I3- triiodide i3-  
1084 SFCl Sulfur chloride fluoride sfcl  
1085 HCCF Fluoroacetylene hccf  
1086 HCCF+ fluoroacetylene cation hccf+  
1087 HCCCl Chloroacetylene hcccl  
1088 HCCBr bromoacetylene hccbr  
1089 HFCO formyl fluoride hfco  
1090 HFCO+ formyl fluoride cation hfco+  
1091 COHCl Formyl chloride cohcl  
1092 COHBr Formyl bromide cohbr  
1093 BHF2 Difluoroborane bhf2  
1094 BHCl2 Borane, dichloro- bhcl2  
1095 CHCl2 dichloromethyl radical chcl2  
1096 CHF2 difluoromethyl radical chf2  
1097 CHF2+ difluoromethyl cation chf2+  
1098 CHFCl Chlorofluoromethyl radical chfcl  
1099 CHFCl+ Chlorofluoromethyl cation chfcl+  
1100 CHCl2+ dichloromethyl cation chcl2+  
1101 CHBr2 dibromomethyl radical chbr2  
1102 HOClO Chlorous acid hoclo  
1103 NHF2 difluoramine nhf2  
1104 NHCl2 dichloroamine nhcl2  
1105 CH2F2 Methane, difluoro- ch2f2  
1106 CH2FCl fluorochloromethane ch2fcl  
1107 CH2Cl2 Methylene chloride ch2cl2  
1108 CH2BrF Methane, bromofluoro- ch2fbr  
1109 CH2BrCl Methane, bromochloro- ch2clbr  
1110 CH2FI fluoroiodomethane ch2fi  
1111 CH2Br2 dibromomethane ch2br2  
1112 CH2ClI chloroiodomethane ch2cli  
1113 CH2BrI bromoiodomethane ch2bri  
1114 CH2I2 Diiodomethane ch2i2  
1115 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1116 CH2CHF Ethene, fluoro- ch2chf  
1117 CH2CHF+ fluoroethene cation ch2chf+  
1118 C2H3Cl Ethene, chloro- ch2chcl  
1119 C2H3Br vinyl bromide c2h3br  
1120 C2H3I Vinyl iodide c2h3i  
1121 CH2FOH fluoromethanol ch2foh  
1122 CH3OCl methyl hypochlorite ch3ocl  
1123 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1124 CHClCH3 1-chloroethyl radical chclch3  
1125 C2H5F fluoroethane c2h5f  
1126 CH3CH2Cl Ethyl chloride c2h5cl  
1127 CH3SiFH2 fluoromethylsilane ch3sifh2  
1128 C2H5Br Ethyl bromide etbr  
1129 C2H5I Ethyl iodide c2h5i  
1130 KrF2 Krypton difluoride krf2  
1131 XeF2 Xenon difluoride xef2  
1132 B4H10 Tetraborane(10) b4h10  
1133 C4 Carbon tetramer c4  
1134 C4+ Carbon tetramer cation c4+  
1135 C4H2 Diacetylene c4h2  
1136 C4H2+ diacetlyene cation c4h2+  
1137 C2H3CCH 1-Buten-3-yne c2h3cch  
1138 C4H4 cyclobutadiene cbd  
1139 C4H4 Tetrahedrane c4h4  
1140 H2CCCCH2 Butatriene h2cccch2  
1141 C4H6 1-Methylcyclopropene c3100047  
1142 C4H6 Cyclobutene c822355  
1143 C4H6 Methylenecyclopropane c6142730  
1144 CH2CCHCH3 1,2-Butadiene butad12  
1145 CH2CHCHCH2 1,3-Butadiene c106990  
1146 CH3CCCH3 2-Butyne c503173  
1147 CHCCH2CH3 1-Butyne c107006  
1148 CH3CHCHCH2 methylallyl radical c4h7  
1149 C4H8 methylcyclopropane mcp  
1150 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1151 CH2CHCH2CH3 1-Butene bute1  
1152 CH3CHCHCH3 2-Butene, (E)- bute2e  
1153 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1154 B(CH3)3 trimethylborane bme3  
1155 Al(CH3)3 trimethyl aluminum tma  
1156 C(CH3)3 Tert-butyl radical tbutyl  
1157 CH2CH(CH3)2 Isobutyl radical isobutyl  
1158 CH3CHCH2CH3 2-Butyl radical butyl2  
1159 CH3CH(CH3)CH3 Isobutane isobutane  
1160 CH3CH2CH2CH3 Butane butane  
1161 SiH(CH3)3 trimethylsilane trimsi  
1162 Li3N trilithium nitride li3n  
1163 C2N2 Cyanogen c2n2  
1164 C2N2+ Cyanogen cation c2n2+  
1165 P4 Phosphorus tetramer p4  
1166 As4 Arsenic tetramer as4  
1167 HCCCN Cyanoacetylene hcccn  
1168 HCCCN+ Cyanoacetylene cation hcccn+  
1169 H2CNCN cyanamide, methylene ch2ncn  
1170 HNCCNH Ethenediimine hnccnh  
1171 C3H3N acrylonitrile ch2chcn  
1172 C3H3N+ acrylonitrile cation ch2chcn+  
1173 CH3N3 methyl azide ch3n3  
1174 NH2CCNH2 Diaminoacetylene daa  
1175 NH2CH2CN Aminoacetonitrile aan  
1176 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1177 C2H5CN ethyl cyanide c2h5cn  
1178 CH5N3 Guanidine guanidine  
1179 C4H6 Bicyclo[1.1.0]butane c157335  
1180 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1181 H2NCHCHNH2 diaminoethylene dae  
1182 CH6N3+ guanidinium ch6n3+  
1183 C3H7N Cyclopropylamine cpram  
1184 CH7N3 triaminomethane tam  
1185 C3H7N Azetidine azet  
1186 C4H8 cyclobutane cbutane  
1187 C2H8N2 Ethylenediamine ethdiam  
1188 CH3NHNHCH3 dimethyl hydrazine dmh  
1189 CH3CH(NH2)CH3 2-Propanamine pram2  
1190 N(CH3)3 Trimethylamine trimeam  
1191 NH2CH2CH2CH3 1-Propanamine pram1  
1192 P(CH3)3 trimethylphosphine tmp  
1193 N(SiH3)3 trisilylamine tsa  
1194 As(CH3)3 trimethyl arsine tmas  
1195 (CH3)3NH+ protonated trimethyl amine ptma  
1196 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1197 Li2O2 dilithium dioxide li2o2  
1198 Na2O2 disodium dioxide na2o2  
1199 K2O2 dipotassium dioxide k2o2  
1200 C3O Tricarbon monoxide c3o  
1201 B2O2 Diboron dioxide b2o2  
1202 ONNO NO dimer onno  
1203 CO3 Carbon trioxide co3  
1204 CO3-- carbonate co3--  
1205 CS3-- Carbonotrithioate cs3--  
1206 NO3 Nitrogen trioxide no3  
1207 NO3- nitrate anion no3-  
1208 NO3+ nitrogen trioxide cation no3+  
1209 SO3- Sulfur trioxide anion so3-  
1210 SO3-- Sulfate dianion so3--  
1211 SO3+ Sulfur trioxide cation so3+  
1212 SeO3 selenium trioxide seo3  
1213 S4 Sulfur tetramer s4  
1214 TeO3 Tellurium trioxide teo3  
1215 HCO3- bicarbonate anion hco3-  
1216 HNO3 Nitric acid hno3  
1217 HSO3 Hydroxysulfonyl radical hso3  
1218 NH2NO2 nitramide nh2no2  
1219 C2H2CO cyclopropenone c2h2co  
1220 C3H2O Propadienal c3h2o  
1221 HCCCHO 2-propynal hcccho  
1222 C2H2O2 Ethanedial c2h2o2  
1223 C2H2O2+ Ethanedial cation c2h2o2+  
1224 H2CO3 Carbonic acid h2co3  
1225 H2CS3 thiocarbonic acid h2cs3  
1226 H2NO3+ Nitric Acid, Protonated h2no3+  
1227 H2SO3 Sulfurous acid h2so3  
1228 C2H3NO Nitrosoethylene c2h3no  
1229 CH3NCO methylisocyante ch3nco  
1230 HOCH2CN cyanomethanol hoch2cn  
1231 CH3COO- acetate anion ch3coo-  
1232 CH3NO2 Methane, nitro- ch3no2  
1233 CH3ONO Methyl nitrite ch3ono  
1234 NH2COOH Carbamic acid nh2cooh  
1235 H3BO3 Boric acid h3bo3  
1236 H3AlO3 Aluminum hydroxide h3alo3  
1237 H3CO3+ carbonic acid, protonated h3co3+  
1238 C3H4O 2-Propyn-1-ol c107197  
1239 C3H4O allenol c9000071  
1240 C3H4O Cyclopropanone cpone  
1241 C3H4O Methylketene c6004440  
1242 CH2CHCHO Acrolein c3h4o  
1243 NH2CONH2 Urea urea  
1244 NH2CONH2+ Urea cation urea+  
1245 NH2CSNH2 Thiourea thiourea  
1246 C2H4O2 1,3-dioxetane c2h4o2  
1247 CH3COOH Acetic acid ch3cooh  
1248 CH3OCHO methyl formate ch3ocho  
1249 CHOCH2OH hydroxy acetaldehyde haa  
1250 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1251 NH3COOH+ protonated Carbamic acid nh3cooh+  
1252 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1253 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1254 HCOOHH2O Formic acid water dimer hcoohh2o  
1255 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1256 CH3COCH2 Acetonyl radical ch3coch2  
1257 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1258 CH3C(OH)=NH Ethaninidic acid eia  
1259 CH3CHNOH Acetaldoxime acetaldoxime  
1260 CH3CONH2 Acetamide acetamide  
1261 HCONHCH3 N-methylformamide nmfa  
1262 CH3CSNH2 Ethanethioamide ch3csnh2  
1263 CH5N2O+ urea, N-protonated ch4n2o+  
1264 H2NCOHNH2+ urea, protonated ureah+  
1265 C2H5OO ethylperoxy radical c2h5oo  
1266 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1267 C3H5OH Cyclopropanol cproh  
1268 C3H6O 2-Propen-1-ol c107186  
1269 C3H6O Acetone enol enol  
1270 C3H6O Oxetane oxetane  
1271 C3H6O Propylene oxide prox  
1272 CH3CH2CHO Propanal propanal  
1273 CH3COCH3 Acetone acetone  
1274 CH3COCH3- acetone anion ch3coch3-  
1275 C3H6S Thietane thietane  
1276 C3H6S Thiirane, methyl- methiirane  
1277 CH3CSCH3 Thioacetone ch3csch3  
1278 C2H6O2 1,2-Ethanediol ethdiol  
1279 CH3OOCH3 dimethylperoxide dmp  
1280 CH3SOCH3 Dimethyl sulfoxide dmso  
1281 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1282 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1283 CH3COHCH3+ acetone, protonated acetoneh+  
1284 HOCH2CH2NH2 monoethanolamine mea  
1285 C3H7OH 1-Propanol proh  
1286 CH3CHOHCH3 Isopropyl alcohol isoproh  
1287 CH3OC2H5 Ethane, methoxy- etome  
1288 C3H7SH 1-Propanethiol prsh  
1289 CH3CHSHCH3 2-Propanethiol isoprsh  
1290 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1291 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1292 Li2F2 Lithium fluoride dimer li2f2  
1293 Na2F2 Sodium Fluoride Dimer na2f2  
1294 Na2Cl2 Disodium dichloride na2cl2  
1295 C2F2 difluoroacetylene c2f2  
1296 C2Cl2 dichloroacetylene c2cl2  
1297 C2Cl2+ dichloroacetylene cation c2cl2+  
1298 FNO2 Nitryl fluoride fno2  
1299 FONO Nitrosyl hypofluorite fono  
1300 ClNO2 Nitryl chloride clno2  
1301 ClONO chlorine nitrite clono  
1302 BrONO Bromine nitrite brono  
1303 N2F2 (Z)-Difluorodiazene n2f2_z  
1304 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1305 CF2O Carbonic difluoride f2co  
1306 CF2O+ Carbonic difluoride cation f2co+  
1307 COFCl Carbonic chloride fluoride cofcl  
1308 CCl2O Phosgene cl2co  
1309 Cl2CS Thiophosgene cl2cs  
1310 COBr2 Carbonic dibromide cobr2  
1311 BF3 Borane, trifluoro- bf3  
1312 BF3- Borane, trifluoro- anion bf3-  
1313 BF3+ boron trifluoride cation bf3+  
1314 AlF3 Aluminum trifluoride alf3  
1315 BClF2 Chlorodifluoroborane bclf2  
1316 AlF2Cl Aluminum chloride difluoride alclf2  
1317 ScF3 Scandium trifluoride ScF3  
1318 AlFCl2 Aluminum dichloride fluoride alcl2f  
1319 BCl3 Borane, trichloro- bcl3  
1320 BCl3+ Boron Trichloride cation bcl3+  
1321 GaF3 Gallium trifluoride gaf3  
1322 AlCl3 Aluminum trichloride alcl3  
1323 GaCl3 Gallium trichloride gacl3  
1324 BBr3 Boron tribromide bbr3  
1325 AlBr3 Aluminum Bromide albr3  
1326 ClO3 Chlorine trioxide clo3  
1327 ClO3- chlorate anion clo3-  
1328 BrO3- Bromate anion bro3-  
1329 CF3 Trifluoromethyl radical cf3  
1330 CF3- Trifluoromethyl anion cf3-  
1331 CF3+ Trifluoromethyl cation cf3+  
1332 CF2Cl difluorochloromethyl radical cf2cl  
1333 SiF3 Silicon trifluoride radical sif3  
1334 SiF3+ Silicon trifluoride cation sif3+  
1335 CFCl2 dichlorofluoromethyl radical cfcl2  
1336 CCl3 Trichloromethyl radical ccl3  
1337 CCl3- Trichloromethyl anion ccl3-  
1338 CCl3+ Trichloromethyl cation ccl3+  
1339 SiCl3 trichlorosilyl radical sicl3  
1340 SiCl3+ trichlorosilyl cation sicl3+  
1341 CBr3 tribromomethyl radical cbr3  
1342 FOOF Perfluoroperoxide foof  
1343 ClOOCl Dichlorine dioxide cloocl  
1344 SOCl2 thionyl chloride socl2  
1345 SSCl2 Thiothionyl chloride sscl2  
1346 SeOCl2 selenium oxychloride seocl2  
1347 NF3 Nitrogen trifluoride nf3  
1348 NF3- Nitrogen trifluoride anion nf3-  
1349 NF3+ Nitrogen trifluoride cation nf3+  
1350 PF3 Phosphorus trifluoride pf3  
1351 NCl3 nitrogen trichloride ncl3  
1352 AsF3 Arsenic trifluoride asf3  
1353 PCl3 Phosphorus trichloride pcl3  
1354 SbF3 Antimony Trifluoride sbf3  
1355 AsCl3 Arsenous trichloride ascl3  
1356 SbCl3 Antimony Trichloride sbcl3  
1357 NBr3 Nitrogen Tribromide nbr3  
1358 PBr3 Phosphorus tribromide pbr3  
1359 AsBr3 Arsenic tribromide asbr3  
1360 NI3 Nitrogen triiodide ni3  
1361 PI3 Phosphorus triiodide pi3  
1362 ClSSCl Disulfur dichloride s2cl2  
1363 SF3 Sulfur trifluoride sf3  
1364 BrF3 Bromine trifluoride brf3  
1365 IF3 iodone trifluoride if3  
1366 HClO3 Chloric Acid hclo3  
1367 CHF3 Methane, trifluoro- chf3  
1368 CHF2Cl difluorochloromethane chf2cl  
1369 CHFCl2 fluorodichloromethane chfcl2  
1370 CDCl3 trichloromethane-d cdcl3  
1371 CHCl3 Chloroform chcl3  
1372 CHBrF2 Methane, bromodifluoro- chbrf2  
1373 SiHCl3 Trichlorosilane sihcl3  
1374 CHFClBr fluorochlorobromomethane chfclbr  
1375 CHBrCl2 Methane, bromodichloro- chbrcl2  
1376 CHF2I difluoroiodomethane chf2i  
1377 CHBr2F dibromofluoromethane chbr2f  
1378 CHFClI fluorochloroiodomethane chfcli  
1379 CHCl2I dichloroiodomethane chcl2i  
1380 CHClBr2 Methane, dibromochloro- chclbr2  
1381 CHBr3 bromoform chbr3  
1382 CHI3 Iodoform chi3  
1383 NF3H+ protonated nitrogen trifluoride nf3h+  
1384 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1385 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1386 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1387 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1388 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1389 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1390 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1391 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1392 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1393 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1394 C2H2Br2 1,1-dibromoethene c2h2br2  
1395 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1396 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1397 CH2FCHO Fluoroacetaldehyde ch2fcho  
1398 CH3COF Acetyl fluoride ch3cof  
1399 CH2ClCHO chloroacetaldehyde ch2clcho  
1400 CH3COCl Acetyl Chloride ch3cocl  
1401 C2H4F2 1,2-difluoroethane c2h4f2  
1402 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1403 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1404 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1405 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1406 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1407 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1408 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1409 CH2CFCH3 2-fluoropropene 2fpro  
1410 CH2CHCH2F Allyl Fluoride allylf  
1411 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1412 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1413 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1414 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1415 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1416 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1417 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1418 CH2FCH2CH3 1-Fluoropropane prf1  
1419 CH3CHFCH3 2-Fluoropropane prf2  
1420 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1421 CH3CHClCH3 Propane, 2-chloro- prcl2  
1422 CH3CH2CH2Br n-propyl bromide prbr  
1423 CH3CHBrCH3 i-propyl bromide iprbr  
1424 C3H9O+ trimethyl oxonium cation c3h9o+  
1425 B5H9 pentaborane9 b5h9  
1426 C5H4 pentatetraene ptrene  
1427 C5H5 cyclopentadienyl radical c5h5  
1428 C5H5- cylopentadienyl anion c5h5-  
1429 C5H6 1,3-Cyclopentadiene c542927  
1430 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1431 C5H6 3-Penten-1-yne, (E)- c2004695  
1432 C5H6 3-Penten-1-yne, (Z)- c1574409  
1433 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1434 C5H6 Cyclopropylacetylene c6746947  
1435 C5H6 Propellane propellane  
1436 C5H7 1,3-pentadienyl radical pdyl  
1437 C5H7 cyclopentenyl radical cpyl  
1438 C5H8 1,2-Butadiene, 3-methyl- c598254  
1439 C5H8 1,2-Pentadiene c591957  
1440 C5H8 1,3-Butadiene, 2-methyl- c78795  
1441 C5H8 1,3-Pentadiene, (E)- c2004708  
1442 C5H8 1,3-Pentadiene, (Z)- c1574410  
1443 C5H8 1,4-Pentadiene c591935  
1444 C5H8 1-pentyne a1pentyne  
1445 C5H8 2,3-Pentadiene c591968  
1446 C5H8 Bicyclo[1.1.1]pentane bcp  
1447 C5H8 Cyclobutane, methylene- c1120565  
1448 C5H8 Cyclopentene c142290  
1449 C5H8 Ethenylcyclopropane c693867  
1450 CH3CCCH2CH3 2-Pentyne 2pentyne  
1451 C5H10 1-Butene, 2-methyl- c563462  
1452 C5H10 2-Butene, 2-methyl- c513359  
1453 C5H10 2-Pentene, (E)- c646048  
1454 C5H10 2-Pentene, (Z)- c627203  
1455 C5H10 Cyclopentane c287923  
1456 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1457 CH2CHCH2CH2CH3 1-pentene pentene  
1458 C5H11 2-Methylbut-2-yl radical c4348350  
1459 C5H12 Butane, 2-methyl- buta2  
1460 C5H12 Pentane pentane  
1461 C5H12 Propane, 2,2-dimethyl- neopentane  
1462 Si(CH3)4 tetramethylsilane tms  
1463 N2O3 Dinitrogen trioxide n2o3  
1464 C3H2N2 Malononitrile c3h2n2  
1465 CH2N4 1H-Tetrazole 1htz  
1466 C3H3N2 imidazolyl radical im  
1467 C3H3N2- imidizolyl anion im-  
1468 C2H3N3 1H-1,2,4-Triazole c288880  
1469 C4H4N pyrrolide radical c4h4n  
1470 C4H4N- pyrrolide anion c4h4n-  
1471 C3H4N2 1H-Imidazole 1himidaz  
1472 C3H4N2 1H-Pyrazole 1hpyraz  
1473 C3H4N2 2H-Imidazole imid2h  
1474 C3H4N2 4H-Imidazole imid4h  
1475 C4H5N (E)-2-Butenenitrile c627269  
1476 C4H5N (Z)-2-Butenenitrile c1190767  
1477 C4H5N 2H-pyrrole pyrrole2  
1478 C4H5N 3H-pyrrole pyrrole3  
1479 C4H5N Cyclopropanecarbonitrile c5500210  
1480 C4H5N Pyrrole pyrrole  
1481 CH2CHCH2CN Allylcyanide ch2chch2cn  
1482 C4H6N+ pyrrole, alpha-protonated appyr  
1483 C4H6N+ pyrrole, beta-protonated bppyr  
1484 C4H6N+ pyrrole, protonated ppyr  
1485 C3H6N2 3-Aminopropionitrile c151188  
1486 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1487 CH3CH2CH2CN Butanenitrile c109740  
1488 C5H8 Bicyclo[2.1.0]pentane c185944  
1489 C5H8 Spiropentane c157404  
1490 C4H9N Cyclobutylamine cbam  
1491 C4H9N Pyrrolidine pyrrolidine  
1492 C3H10N2 1,2-Diaminopropane diampr12  
1493 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1494 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1495 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1496 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1497 NH(C2H5)2 diethylamine dea  
1498 NC4H12+ tetramethyl ammonium cation nc4h12+  
1499 C3O2 Carbon suboxide c3o2  
1500 C3O2+ Carbon suboxide cation c3o2+  
1501 B2O3 diboron trioxide b2o3  
1502 MgCO3 Magnesium Carbonate mgco3  
1503 BeCO3 Beryllium Carbonate beco3  
1504 CaCO3 Calcium Carbonate caco3  
1505 ONONO Nitrosyl nitrite onono  
1506 PO4--- phosphate po4---  
1507 SO4-- sulfate so4--  
1508 HOONO2 peroxy nitric acid hoono2  
1509 HSO4- bisulfate anion hso4-  
1510 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1511 C3H2O2 Propiolic acid c3h2o2  
1512 CHOCOOH oxo acetic acid oaa  
1513 CHOOCHO diformyl ether choocho  
1514 H2SO4 Sulfuric acid h2so4  
1515 H2SeO4 Selenic acid h2seo4  
1516 C3H3NO Isoxazole isox  
1517 C3H3NO Oxazole oxazole  
1518 C3H3NS Thiazole thiazole  
1519 CH3C(O)OO acetyl peroxy radical ch3coo2  
1520 CH3NO3 Methyl nitrate ch3no3  
1521 H3PO4 Phosphoric Acid h3po4  
1522 C4H4O Furan furan  
1523 C4H4O+ Furan cation furan+  
1524 CH3COCCH 3-butyn-2-one c1423605  
1525 C4H4S Thiophene furans  
1526 C4H4Se selenophene c4h4se  
1527 C3H4O2 β–Propiolactone beta  
1528 C3H4O2 2-Propenoic acid propenoic2  
1529 C3H4O2 Methyl glyoxal megly  
1530 C3H4O2 propanedial propanedial  
1531 C3H4O2 propenalol propenalol  
1532 HOCHCCHOH allenediol aldiol  
1533 C2H4O3 1,2,3-trioxolane c2h4o3  
1534 C2H4O3 trioxolane124 triox  
1535 HOCH2COOH Hydroxyacetic acid hac  
1536 CH2CHCONH2 Acrylamide c79061  
1537 CH3OCH2CN Methoxyacetonitrile c1738369  
1538 CH5N3S Hydrazinecarbothioamide c79196  
1539 H2NCH2COOH Glycine glycine  
1540 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1541 C4H6O cis-2-butenal butenal2c  
1542 C4H6O Cyclobutanone cbutone  
1543 C4H6O Furan, 2,3-dihydro- furan23h  
1544 C4H6O Furan, 2,5-dihydro- furan25h  
1545 CH2CHOCHCH2 Vinyl ether vinylether  
1546 CHOCHCHCH3 2-Butenal butenal2  
1547 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1548 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1549 CH2CHSCHCH2 Divinyl sulfide divis  
1550 C2H6N2O Urea, methyl- c598505  
1551 C3H6O2 1,3-Dioxolane dioxolane  
1552 CH3CH2COOH Propanoic Acid propanoic  
1553 CH3COOCH3 methyl acetate aame  
1554 HCOOC2H5 Ethyl formate faee  
1555 C2H6O2S Dimethyl sulfone c67710  
1556 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1557 C3H7NO dimethylformamide dmf  
1558 C3H7NO Propanamide propanam  
1559 C2H3OC2H5 Ethene, ethoxy- c109922  
1560 C4H8O Cyclobutanol c2919235  
1561 C4H8O Furan, tetrahydro- thf  
1562 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1563 CH3COCH2CH3 2-Butanone buta2one  
1564 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1565 CHOCH2CH2CH3 Butanal butanal  
1566 C4H8S Thiophene, tetrahydro- tht  
1567 C3H8O2 1,3-Propanediol c504632  
1568 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1569 C3H8O2 Methane, dimethoxy- c109875  
1570 C3H8O2 Propylene glycol c57556  
1571 C3H8S2 1,3-Propanedithiol c109808  
1572 C4H10O 1-Butanol butanol1  
1573 C4H10O 1-Propanol, 2-methyl- c78831  
1574 C4H10O 2-Butanol, (.+/-.)- butanol2  
1575 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1576 C4H10O Ethoxy ethane etoet  
1577 C4H10O Methyl propyl ether meopr  
1578 C4H10O Propane, 2-methoxy- c598538  
1579 C4H10O+ 1-Butanol cation butanol1+  
1580 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1581 C2H5SC2H5 Diethyl sulfide etset  
1582 C4H9SH 1-Butanethiol bush  
1583 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1584 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1585 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1586 FNO3 Fluorine nitrate fno3  
1587 ClONO2 Chlorine nitrate clono2  
1588 BrONO2 Bromine nitrate brono2  
1589 TiCl4 Titanium tetrachloride ticl4  
1590 ClO4- perchlorate anion clo4-  
1591 BF4- tetrafluoroboron anion bf4-  
1592 ClFO3 Perchloryl fluoride clfo3  
1593 SO2F2 Sulfuryl fluoride so2f2  
1594 SO2Cl2 Sulfuryl chloride so2cl2  
1595 F3NO Nitrogen trifluoride oxide f3no  
1596 F3PO Phosphoryl fluoride pf3o  
1597 Cl3PO Phosphoryl chloride pcl3o  
1598 CF4 Carbon tetrafluoride cf4  
1599 CF3Cl Methane, chlorotrifluoro- cf3cl  
1600 SiF4 Silicon tetrafluoride sif4  
1601 CF2Cl2 difluorodichloromethane cf2cl2  
1602 TiF4 Titanium tetrafluoride tif4  
1603 CFCl3 Trichloromonofluoromethane cfcl3  
1604 CF3Br Bromotrifluoromethane cf3br  
1605 GeF4 Germanium tetrafluoride gef4  
1606 CCl4 Carbon tetrachloride ccl4  
1607 CCl4+ Carbon tetrachloride cation ccl4+  
1608 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1609 SiCl4 Silane, tetrachloro- sicl4  
1610 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1611 CF3I trifluoroiodomethane cf3i  
1612 CBrCl3 Methane, bromotrichloro- cbrcl3  
1613 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1614 GeCl4 Germanium Tetrachloride gecl4  
1615 CBr2ClF dibromochlorofluoromethane cbr2clf  
1616 CBr2Cl2 dibromodichloromethane cbr2cl2  
1617 CCl3I trichloroiodomethane ccl3i  
1618 CFBr3 fluorotribromomethane cfbr3  
1619 CFClBrI fluorochlorobromoiodomethane cfclbri  
1620 CBr3Cl tribromochloromethane cbr3cl  
1621 CF2I2 difluorodiiodomethane cf2i2  
1622 CBr4 Carbon tetrabromide cbr4  
1623 CCl2I2 dichlorodiiodomethane ccl2i2  
1624 SiBr4 Silicon tetrabromide sibr4  
1625 CBr3I tribromoiododmethane cbr3i  
1626 GeBr4 Germanium tetrabromide gebr4  
1627 CI4 tetraiodomethane ci4  
1628 SiI4 silicon tetraiodide sii4  
1629 ClOF3 Chlorine trifluoride oxide clof3  
1630 SF4 Sulfur tetrafluoride sf4  
1631 SeF4 Selenium tetrafluoride sef4  
1632 SCl4 Sulfur tetrachloride scl4  
1633 C2HF3 Trifluoroethylene c2hf3  
1634 C2HF3+ Trifluoroethylene cation c2hf3+  
1635 CHClCCl2 Trichloroethylene chclccl2  
1636 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1637 HClO4 perchloric acid hclo4  
1638 HSO3F Fluorosulfonic acid hso3f  
1639 CF3OH trifluoromethanol cf3oh  
1640 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1641 CHClCCHCl 1,3-dichloroallene chclcchcl  
1642 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1643 CHCl2CHO dichloroacetaldehyde chcl2cho  
1644 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1645 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1646 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1647 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1648 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1649 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1650 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1651 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1652 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1653 NH3BCl3 Amminetrichloroboron nh3bcl3  
1654 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1655 C3H5ClO Oxirane, (chloromethyl)- c106898  
1656 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1657 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1658 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1659 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1660 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1661 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1662 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1663 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1664 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1665 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1666 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1667 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1668 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1669 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1670 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1671 C4H9F 1-fluorobutane butaf1  
1672 CH3CHFCH2CH3 2-fluorobutane butaf2  
1673 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1674 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1675 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1676 XeF4 Xenon tetrafluoride xef4  
1677 C2H2N2O Furazan furazan  
1678 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1679 NH3BF3 Amminetrifluoroboron nh3bf3  
1680 C6H2 hexatriyne c6h2  
1681 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1682 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1683 C6H4 Benzyne benzyne  
1684 C6H5 phenyl phenyl  
1685 C6H5- phenyl anion phenyl-  
1686 C6H6 Prismane prismane  
1687 C6H6 1,2,4,5-Hexatetraene ht1245  
1688 C6H6 2,4-Hexadiyne hexadiyne  
1689 C6H6 3,4-Dimethylenecyclobutene cb34m  
1690 C6H6 Benzene benzene  
1691 C6H6 Benzvalene bv  
1692 C6H6 Dewar Benzene dewar  
1693 C6H6 Hexa-1,5-diene-3-yne hdy153  
1694 C6H6 Trimethylenecycopropane tmcp  
1695 C6H6+ Benzene cation c6h6+  
1696 C6H7+ benzene, protonated c6h7+  
1697 C6H8 (E)-hexa-1,3,5-triene c821078  
1698 C6H8 (E)-hexa-2,3,4-triene c59660650  
1699 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1700 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1701 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1702 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1703 C6H8 3-Methylenecyclopentene c930267  
1704 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1705 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1706 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1707 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1708 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1709 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1710 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1711 C6H10 1,5-Hexadiene c592427  
1712 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1713 C6H10 1-Hexyne hexyne1  
1714 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1715 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1716 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1717 C6H10 2-Hexyne c764352  
1718 C6H10 3-Hexyne hexyne3  
1719 C6H10 cyclohexene cyclohexene  
1720 C6H10 Cyclopentene, 1-methyl- c693890  
1721 C6H10 Cyclopentene, 3-methyl- c1120623  
1722 C6H10 Cyclopentene, 4-methyl- c1759815  
1723 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1724 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1725 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1726 C6H12 (E)-2-Hexene e2hexene  
1727 C6H12 (E)-3-methylpent-2-ene c616126  
1728 C6H12 (E)-hex-3-ene e3hexene  
1729 C6H12 (Z)-3-methylpent-2-ene c922623  
1730 C6H12 (Z)-hex-2-ene z2hexene  
1731 C6H12 (Z)-hex-3-ene z3hexene  
1732 C6H12 2,3-dimethylbut-1-ene c563780  
1733 C6H12 2,3-dimethyl-but-2-ene tmeet  
1734 C6H12 3-methylenepentane c760214  
1735 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1736 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1737 C6H12 Cyclohexane cyclohexane  
1738 C6H12 Cyclopentane, methyl- c96377  
1739 C6H12 Ethylcyclobutane c4806615  
1740 C6H12 hex-1-ene hexene1  
1741 C6H14 Butane, 2,2-dimethyl- buta22  
1742 C6H14 Butane, 2,3-dimethyl- buta23  
1743 C6H14 Hexane hexane  
1744 C6H14 Pentane, 2-methyl- penta2  
1745 C6H14 Pentane, 3-methyl- penta3  
1746 C4N2 2-Butynedinitrile c4n2  
1747 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1748 C4H2N2 Fumaronitrile c4h2n2  
1749 C2H2N4 sym-tetrazine ttz  
1750 C3H3N3 1,3,5-Triazine triazine135  
1751 CH3N5 5-Aminotetrazole c4418615  
1752 C4H4N2 1,3-Diazine diazine13  
1753 C4H4N2 Pyrazine pyrazine  
1754 C4H4N2 Pyridazine pyridazine  
1755 C4H4N2 Succinonitrile c110612  
1756 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1757 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1758 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1759 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1760 C5H5N E-2,4-pentadienenitrile bdcn  
1761 C5H5N Pyridine pyridine  
1762 B3N3H6 borazine borazine  
1763 C6H6 Fulvene fulvene  
1764 C5H6N+ Pyridinium c5h6n  
1765 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1766 C5H7N (E)-2-Pentenenitrile c26294984  
1767 C5H7N (E)-3-Pentenenitrile c16529661  
1768 C5H7N (Z)-2-Pentenenitrile c25899507  
1769 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1770 C5H7N Cyclobutanecarbonitrile c4426113  
1771 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1772 C5H9N Butanenitrile, 2-methyl- c18936179  
1773 C5H9N Pentanenitrile c110598  
1774 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1775 C6H10 Bicyclo[3.1.0]hexane c285585  
1776 C5H11N Cyclopentanamine cypentam  
1777 C5H11N Piperidine piper  
1778 C4H12N2 1,2-Butanediamine c4426486  
1779 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1780 Li2CO3 Lithium Carbonate li2co3  
1781 Na2CO3 Sodium Carbonate na2co3  
1782 C2O4-- oxalate anion c2o4  
1783 MgSO4 Magnesium Sulfate mgso4  
1784 N2O4 Dinitrogen tetroxide n2o4  
1785 C3H2O3 vinylene carbonate vica  
1786 C2H2O4 Oxalic Acid oxalic  
1787 C2H3NO3 Oxamic acid oxamic  
1788 C4H4O2 2(5H)-Furanone furanone  
1789 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1790 C2H4N2O2 Oxalamide oxalamide  
1791 C2H4N2S2 Ethanedithioamide c79403  
1792 C2H4CO3 Ethylene carbonate etco3  
1793 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1794 C3H4S3 1,3-Dithiolane-2-thione c822388  
1795 C2H4O4 Formic acid dimer fadimer  
1796 C4H5NO 3-Methylisoxazole isox3m  
1797 C4H5NO Isoxazole, 5-methyl- c5765446  
1798 C4H5NS 4-Methylthiazole c693958  
1799 C2H5NO3 Nitric acid, ethyl ester c625581  
1800 C5H6O 2H-Pyran pyran2  
1801 C5H6O 2-methylfuran furan2m  
1802 C5H6O 3-Methylfuran furan3m  
1803 C5H6O Pentadienal pdal  
1804 C5H6S Thiophene, 2-methyl- c554143  
1805 C5H6S Thiophene, 3-methyl- c616444  
1806 C4H6O2 γ–Butyrolactone c96480  
1807 C4H6O2 2,3-Butanedione c431038  
1808 C4H6O2 2-Propenoic acid, methyl ester c96333  
1809 C4H6O2 Crotonic Acid crot  
1810 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1811 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1812 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1813 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1814 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1815 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1816 C4H6OS Vinyl sulfoxide c1115157  
1817 CH6N4S Carbonothioic dihydrazide thiacarb  
1818 C2H6N2O2 (E)-Azodioxymethane c37765154  
1819 C2H6N2O2 Dimethylnitroamine c4164287  
1820 C3H6O3 1,3,5-Trioxane trioxane  
1821 C3H6S3 1,3,5-Trithiane c3h6s3  
1822 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1823 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1824 C4H7NO 2-Pyrrolidinone c616455  
1825 C4H7NO Ethoxyacetonitrile etoaccn  
1826 C4H7NO Methacrylamide c79390  
1827 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1828 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1829 C3H7ONO Propyl nitrite prono  
1830 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1831 CH3CH(NH2)COOH Alanine alanine  
1832 CH3NHCH2COOH Sarcosine sarcosine  
1833 NH2CH2CH2COOH β–alanine betaalanine  
1834 NH2COOC2H5 Urethane urethane  
1835 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1836 C5H8O Cyclopentanone c120923  
1837 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1838 C5H8O Methyl cyclopropyl ketone c765435  
1839 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1840 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1841 NH2CONHC2H5 Urea, ethyl- c625525  
1842 C4H8O2 1,3-Dioxane dioxan13  
1843 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1844 C4H8O2 1,4-Dioxane dioxan14  
1845 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1846 C4H8O2 Ethyl acetate c141786  
1847 C4H8OS s-Ethyl thioacetate c625605  
1848 C3H8O3 1,2,3-Propanetriol glycerin  
1849 C3H8O2S (Methylsulfonyl)ethane c594434  
1850 C4H9NO Butanamide c541355  
1851 C4H9NO Propanamide, 2-methyl- c563837  
1852 C5H10O 2-Butanone, 3-methyl- c563804  
1853 C5H10O 2H-Pyran, tetrahydro- c142687  
1854 C5H10O 2-methylbutyraldehyde 2meba  
1855 C5H10O 2-Pentanone mpk  
1856 C5H10O 3-Pentanone dek  
1857 C5H10O Cyclopentanol c96413  
1858 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1859 C5H10O Pentanal pal  
1860 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1861 C5H10S 3-Ethylthio-1-propene c5296628  
1862 C5H10S Cyclopentanethiol c1679078  
1863 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1864 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1865 C4H10O2 1,1-Dimethoxyethane c534156  
1866 C4H10O2 1,3-Butanediol budiol13  
1867 C4H10O2 1,4-Butanediol budiol14  
1868 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1869 C4H10OS Diethyl sulfoxide c70291  
1870 C4H10S2 1,4-Butanedithiol budisl14  
1871 C4H11NO Diethylhydroxylamine c3710847  
1872 C5H12O 1-Butanol, 2-methyl- c137326  
1873 C5H12O 1-Butanol, 3-methyl- c123513  
1874 C5H12O 1-Pentanol pentanol1  
1875 C5H12O 2-Butanol, 3-methyl- c598754  
1876 C5H12O 2-Pentanol peol2  
1877 C5H12O 3-Pentanol pentan3ol  
1878 C5H12O Butane, 1-methoxy- meobu  
1879 C5H12O Propane, 1-ethoxy- proet  
1880 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1881 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1882 C5H12S 1-Butanethiol, 3-methyl- c541311  
1883 C5H12S 1-Pentanethiol c110667  
1884 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1885 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1886 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1887 C5H12S Butane, 1-(methylthio)- c628295  
1888 C5H12S Ethyl propyl sulfide c4110503  
1889 C5H12S Propane, 2-(ethylthio)- c5145993  
1890 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1891 C4F2 difluorobutadiyne c4f2  
1892 ClCOClCO Oxalyl chloride oxcl  
1893 CF3CN Acetonitrile, trifluoro- cf3cn  
1894 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1895 B2F4 Diboron tetrafluoride b2f4  
1896 B2Cl4 Diboron tetrachloride b2cl4  
1897 C2F4 Tetrafluoroethylene c2f4  
1898 C2F4+ Tetrafluoroethylene cation c2f4+  
1899 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1900 CF2CCl2 difluorodichloroethylene cf2ccl2  
1901 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1902 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1903 C2FCl3 fluorotrichloroethene c2fcl3  
1904 C2Cl4 Tetrachloroethylene c2cl4  
1905 C2Br4 tetrabromoethene c2br4  
1906 CF3OF Trifluoromethylhypofluorite cf3of  
1907 SOF4 Sulfur tetrafluoride oxide sof4  
1908 PF5 Phosphorus pentafluoride pf5  
1909 AsF5 Arsenic pentafluoride asf5  
1910 PCl5 Phosphorus pentachloride pcl5  
1911 SF5 Sulfur pentafluoride sf5  
1912 SF5+ pentafluoro sulfur cation sf5+  
1913 SbCl5 Antimony pentachloride sbcl5  
1914 BrF5 bromine pentafluoride brf5  
1915 ClF5 chlorinepentafluoride clf5  
1916 IF5 pentafluoroiodine if5  
1917 CF3CHO trifluoroacetaldehyde cf3cho  
1918 CCl3CHO trichloroacetaldehyde ccl3cho  
1919 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1920 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1921 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1922 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1923 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1924 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1925 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1926 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1927 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1928 CF3COOH trifluoroacetic acid cf3cooh  
1929 C4H3ClO Furan, 2-chloro fur2cl  
1930 C4H3ClO Furan,3-chloro fur3cl  
1931 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1932 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1933 C4H8Cl2 1,4-Dichlorobutane c110565  
1934 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1935 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1936 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1937 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1938 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1939 C5H11Cl Pentane, 1-chloro- pencl1  
1940 C4H8O2 Butanoic acid bua  
1941 C6H5CH2 benzyl radical benzyl  
1942 C7H7 cycloheptatrienyl radical c7h7  
1943 C7H7+ cycloheptatrienyl cation c7h7+  
1944 C6H5CH3 toluene toluene  
1945 C7H8 cycloheptatriene cht  
1946 C7H8 Norbornadiene norbor  
1947 C7H8 Quadricyclane qucy  
1948 C7H12 Norbornane nor  
1949 C7H14 cycloheptane c7h14  
1950 C7H16 2-methylhexane 2mhex  
1951 C7H16 3-methylhexane hex3m  
1952 C7H16 heptane heptane  
1953 CH(CN)3 tricyanomethane mecn3  
1954 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1955 C6H7N 2-Methylpyridine mp  
1956 C6H5NH2 aniline aniline  
1957 C6H13N 2-Methylpiperidine pip2m  
1958 C6H13N cyclohexanamine cham  
1959 C6H15N triethylamine tea  
1960 N2O5 Dinitrogen pentoxide n2o5  
1961 C4H2O3 Maleic Anhydride malan  
1962 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1963 C5H4O2 furfural furfural  
1964 C6H5O phenoxy radical phenoxy  
1965 C5H5NO 2(1H)-Pyridinone c72762006  
1966 C5H5NO 2(3H)-Pyridinone c9000048  
1967 C5H5NO 2(5H)-Pyridinone c9000037  
1968 C5H5NO 2-Pyridinol c109104  
1969 C5H5NO 3(2H)-Pyridinone c9000004  
1970 C5H5NO 3(4H)-Pyridinone c9000026  
1971 C5H5NO 3(6H)-Pyridinone c9000015  
1972 C5H5NO 3-Pyridinol c109002  
1973 C5H5NO 4(1H)-Pryidinone c9000060  
1974 C5H5NO 4(3H)-Pryidinone c9000059  
1975 C5H5NO 4-Pyridinol c626642  
1976 C6H5OH phenol phenol  
1977 C6H6O 2,4-Cyclohexadienone c24599573  
1978 C6H6O 2,5-Cyclohexadienone c5664335  
1979 C6H5SH Benzenethiol phsh  
1980 HO2CCHNH2CH2OH Serine serine  
1981 C5H8O2 Acetylacetone acac  
1982 C4H8O2S Sulfolane sulfolane  
1983 C7H10 Norbornene norbornene  
1984 CH(C2H3)3 trivinyl methane tvm  
1985 C6H10O cyclohexanone chexo  
1986 C6H12O hexanal c6h12o  
1987 C6H12O Oxepane oxepane  
1988 C3H7OC3H7 di-n-propyl ether propr  
1989 F2CCCF2 tetrafluoroallene pfa  
1990 CF3COO- trifluoro acetate anion cf3coo-  
1991 CF3COF trifluoroacetyl fluoride cf3cof  
1992 CF3COCl trifluoroacetyl chloride cf3cocl  
1993 PF6 Hexafluorophosphate neutral pf6  
1994 SF6 Sulfur Hexafluoride sf6  
1995 SeF6 Selenium hexafluoride sef6  
1996 CF3CHF2 pentafluoroethane cf3chf2  
1997 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1998 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1999 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2000 CCl3CHCl2 pentachloroethane ccl3chcl2  
2001 C6H5F Fluorobenzene bzf  
2002 C6H5Cl chlorobenzene bzcl  
2003 C6H5Br bromobenzene bzbr  
2004 C8H6 Calicene calicene  
2005 C6H5CCH phenylacetylene phac  
2006 C8H6 benzocyclobutadiene bcbd  
2007 C8H6 Pentalene pentalene  
2008 C6H5CHCH2 Styrene styrene  
2009 C8H8 cubane cubane  
2010 C8H8 cyclooctatetraene cot  
2011 C6H5CH2CH3 Ethylbenzene etbz  
2012 CH3C6H4CH3 meta-xylene mxylene  
2013 CH3C6H4CH3 paraxylene pxylene  
2014 C8H14 Bicyclo[2.2.2]octane bico222  
2015 C8H16 cyclooctane cyclooct  
2016 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2017 C8H18 Octane c8h18  
2018 C6H5CN phenyl cyanide phcn  
2019 C6H12N2 Triethylenediamine ted  
2020 C4O4-- squarate dianion c4o4--  
2021 S4N4 Tetrasulfur tetranitride s4n4  
2022 S8 Octasulfur s8  
2023 C6H4O2 parabenzoquinone pbq  
2024 C4H4N2O2 Uracil uracil  
2025 C6H5CHO benzaldehyde benzal  
2026 C6H5OCH3 Anisole anisole  
2027 C5H9NO2 Proline proline  
2028 C6H12O2 Methyl pivalate c598981  
2029 C6H12O2 Hexanoic acid hexa  
2030 C4F4 tetrafluorcyclobutadiene c4f4  
2031 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2032 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2033 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2034 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2035 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2036 C2F6 hexafluoroethane c2f6  
2037 C2Cl6 hexachloroethane c2cl6  
2038 IF7 Iodine heptafluoride if7  
2039 C6H4F2 metadifluorobenzene mdfb  
2040 C6H4F2 orthodifluorobenzene odfb  
2041 C6H4F2 1,4-difluorobenzene pdfb  
2042 C6H4Cl2 1,2-dichlorobenzene dcb12  
2043 C6H4Cl2 1,3-dichlorobenzene dcb13  
2044 C6H4Cl2 1,4-dichlorobenzene dcb14  
2045 C6H5NO nitrosobenzene bzno  
2046 C9H8 Indene indene  
2047 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2048 C9H12 n-propyl benzene prbz  
2049 C9H20 Nonane nonane  
2050 C(CN)4 tetracyanomethane c5n4  
2051 C5H4N4 purine purine  
2052 C8H7N Indole indole  
2053 C3H3N3O3 cyanuric acid cyanuric  
2054 C6H5NO2 Nitrobenzene c6h5no2  
2055 C6H5COOH benzoic acid benzo  
2056 CH3COC6H5 acetophenone acph  
2057 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2058 C3F6 hexafluoropropene c3f6  
2059 C6H3F3 Benzene trifluoride 123 bzf3a  
2060 C8H18O 1-Octanol octanol  
2061 C10H8 Azulene azu  
2062 C10H8 naphthalene naph  
2063 C10H10 bullvalene bullv  
2064 C10H16 adamantane adamantane  
2065 C6N4 Tetracyanoethylene tcne  
2066 C6N4- tetracyanoethylene anion tcne-  
2067 C10H22 Decane decane  
2068 C4F6 perfluorobutadiene c4f6  
2069 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2070 C3F8 perfluoropropane c3f8  
2071 Fe(CO)5 Iron pentacarbonyl ipc  
2072 Fe(C5H5)2 ferrocene fecp2  
2073 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2074 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2075 C12H8 Acenaphthylene acenaph  
2076 C12H8 biphenylene biph  
2077 C12H10 biphenyl biphenyl  
2078 C12H10 Heptalene heptalene  
2079 C6H12O6 Inositol inositol  
2080 C6F6 hexafluorobenzene c6f6  
2081 S2F10 disulphur decafluoride s2f10  
2082 C13H10 Fluorene fluorene  
2083 C14H10 Anthracene anth  
2084 C14H10 Phenanthrene phenanthrene  
2085 C14H14 Bibenzyl bibenzyl  
2086 C12H10N2 azobenzene azobenzene  
2087 C6H5COC6H5 benzophenone benzophenone  
2088 C16H10 Pyrene pyrene  
2089 C18H12 Tetracene tetracene  
2090 C19H16 Triphenylmethane tpm  
2091 C24H12 Coronene coronene  
2092 C60 Buckminsterfullerene c60