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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 MP4=FULL /cc-pVTZ-PP

Jump to calculations not yet done
count Species Name State Conformation
1 Ga- Gallium atom anion 3POh
2 Ga+ Gallium atom cation 1S 
3 GaH Gallium monohydride 1ΣC∞v
4 GaH+ Gallium monohydride cation 2ΣC∞v
5 Ge Germanium atom 3PKh
6 Ge- Germanium anion 4SKh
7 Ge+ Germanium cation 2PKh
8 Sn Tin atom   
9 Sn+ Tin cation   
10 GeH germylidene 2ΠC∞v
11 GeH2 germylene 1A1C2v
12 GeH3 Germyl radical 2A1C3v
13 GeH3+ germyl cation 1A1'D3h
14 SnH4 Stannane   
15 As Arsenic atomic 4SKh
16 Sb Antimony atom   
17 AsH Arsenic monohydride 3ΣC∞v
18 SbH Antimony monohydride   
19 AsH3 Arsine 1A1C3v
20 AsH3+ Arsine cation 2A1C3v
21 SbH3 Stibine   
22 AsH4+ Arsonium   
23 Se Selenium atom 3PKh
24 Se- Selenium atom anion 2PKh
25 Se+ Selenium atom cation 4SKh
26 Te Tellurium atom   
27 Te+ Tellurium atom cation   
28 HSe Selenium monohydride 2ΠC∞v
29 HSe- selenium monohydride anion 1ΣC∞v
30 HSe+ selenium monohydride cation 3ΣC∞v
31 TeH Telluryl radical   
32 H2Se Hydrogen selenide 1A1C2v
33 H2Se+ Hydrogen selenide cation 2B1C2v
34 H2Te Hydrogen Telluride   
35 H3Se+ Hydrogen Selenide, protonated 1A1C3v
36 Br Bromine atom 2PKh
37 Br- Bromine atom anion 1SKh
38 Br+ Bromine atom cation 3PKh
39 I Iodine atom 2PKh
40 I- Iodine atom anion 1SKh
41 I+ Iodine atom cation 3PKh
42 HBr hydrogen bromide 1ΣC∞v
43 HBr- hydrogen bromide anion 2ΣC∞v
44 HBr+ hydrogen bromide cation 2ΠC∞v
45 HI Hydrogen iodide 1ΣC∞v
46 HI+ Hydrogen iodide cation   
47 H2Br+ protonated hydrogen bromide 2A1C2v
48 H2I+ Iodonium   
49 Xe Xenon atom 1SKh
50 XeH+ Xenon, protonated 1ΣC∞v
51 GeC Germanium monocarbide 1ΣC∞v
52 GaAs Gallium arsenide 3Π 
53 GaAs Gallium arsenide 1Σ 
54 LiSe Lithium monoselenide   
55 GaO Gallium monoxide 2ΣC∞v
56 CSe Carbon monoselenide 1ΣC∞v
57 GeO Germanium monoxide 1ΣC∞v
58 GeSe Germanium monoselenide   
59 SeO Selenium monoxide 3ΣC∞v
60 TeO Tellurium monoxide   
61 Se2 Selenium diatomic 3ΣgD∞h
62 Te2 Tellurium diatomic   
63 H2CSe Selenoformaldehyde   
64 H2Se2 hydrogen diselenide   
65 LiBr Lithium Bromide 1ΣC∞v
66 LiI Lithium Iodide   
67 NaI Sodium Iodide   
68 GaF Gallium monofluoride 1ΣC∞v
69 GaCl Gallium monochloride 1ΣGC∞v
70 AlI Aluminum monoiodide   
71 GaBr Gallium monobromide   
72 CBr Carbon monobromide 2ΠC∞v
73 GeF Germanium monofluoride 2ΠC∞v
74 GeCl Germanium monochloride 2ΠC∞v
75 BrO Bromine monoxide 2ΠC∞v
76 BrO+ Bromine monoxide cation   
77 SBr Sulfur monobromide radical   
78 SBr+ Sulfur monobromide cation   
79 IO Iodine monoxide   
80 SeBr Selenium monobromide   
81 BrCl Bromine monochloride 1ΣC∞v
82 BrF Bromine monofluoride 1ΣC∞v
83 IF Iodine monofluoride 1ΣC∞v
84 Br2 Bromine diatomic 1ΣgD∞h
85 Br2- bromine diatomic anion 2ΣuD∞h
86 Br2+ bromine diatomic cation 2ΠgD∞h
87 ICl Iodine monochloride 1ΣC∞v
88 IBr Iodine monobromide 1ΣC∞v
89 I2 Iodine diatomic 1ΣgD∞h
90 I2+ Iodine diatomic cation 2ΠgD∞v
91 HSiBr monobromosilylene   
92 HOI Hypoiodous acid   
93 CH2Br bromomethyl radical   
94 CH3Br methyl bromide 1A1C3v
95 GeH3Cl monochlorogermane   
96 CH3I methyl iodide 1A1C3v
97 SiH3I Silyl Iodide   
98 GeO2 Germanium dioxide 1ΣgD∞h
99 SCTe Carbon sulfide Telluride   
100 SeO2 Selenium dioxide 1A1C2v
101 TeO2 Tellurium Dioxide   
102 BrCN Cyanogen bromide 1ΣC∞v
103 ICN Cyanogen iodide 1ΣC∞v
104 BeBr2 Beryllium bromide   
105 CaBr2 Calcium dibromide   
106 GeCl2 Germanium dichloride 1A1C2v
107 BrOO Bromine dioxide   
108 SeF2 Selenium difluoride   
109 SBr2 Sulfur dibromide   
110 SeBr2 Selenium dibromide   
111 Br3- tribromide anion   
112 I3- triiodide   
113 CHBr2 dibromomethyl radical   
114 CH2BrCl Methane, bromochloro- 1A'Cs
115 CH2FI fluoroiodomethane   
116 CH2Br2 dibromomethane 1A1C2v
117 CH2ClI chloroiodomethane   
118 CH2BrI bromoiodomethane   
119 CH2I2 Diiodomethane   
120 C2H3I Vinyl iodide   
121 C2H5Br Ethyl bromide 1A'Cs
122 C2H5I Ethyl iodide   
123 XeF2 Xenon difluoride   
124 As4 Arsenic tetramer 1A1Td
125 TeO3 Tellurium trioxide   
126 GaF3 Gallium trifluoride 1A1'D3h
127 GaCl3 Gallium trichloride 1A1'D3h
128 CBr3 tribromomethyl radical   
129 SbF3 Antimony Trifluoride   
130 SbCl3 Antimony Trichloride   
131 NI3 Nitrogen triiodide   
132 PI3 Phosphorus triiodide   
133 IF3 iodone trifluoride   
134 CHBrF2 Methane, bromodifluoro- 1A'Cs
135 CHF2I difluoroiodomethane   
136 CHFClI fluorochloroiodomethane   
137 CF3Br Bromotrifluoromethane 1A1C3v
138 GeF4 Germanium tetrafluoride 1A1Td
139 CBr2ClF dibromochlorofluoromethane   
140 CCl3I trichloroiodomethane   
141 CFClBrI fluorochlorobromoiodomethane   
142 CF2I2 difluorodiiodomethane   
143 CBr4 Carbon tetrabromide 1A1Td
144 CCl2I2 dichlorodiiodomethane   
145 CI4 tetraiodomethane   
146 SiI4 silicon tetraiodide   
147 XeF4 Xenon tetrafluoride   
148 C2Br4 tetrabromoethene   
149 IF5 pentafluoroiodine   

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 BH Boron monohydride bh  
78 BH- boron monohydride anion bh-  
79 BH+ boron monohydride cation bh+  
80 AlH aluminum monohydride alh  
81 AlH- aluminum monohydride anion alh-  
82 AlH+ aluminum monohydride cation alh+  
83 ScH Scandium monohydride sch  
84 ScH+ Scandium monohydride cation sch+  
85 BH2 boron dihydride bh2  
86 BH2- boron dihydride anion bh2-  
87 BH2+ Boron dihydride cation bh2+  
88 AlH2 aluminum dihydride alh2  
89 AlH2- aluminum dihydride anion alh2-  
90 AlH2+ aluminum dihydride cation alh2+  
91 BH3 boron trihydride bh3  
92 BH3- boron trihydride anion bh3-  
93 BH3+ boron trihydride cation bh3+  
94 AlH3 aluminum trihydride alh3  
95 AlH3- aluminum trihydride anion alh3-  
96 AlH3+ aluminum trihydride cation alh3+  
97 ScH3 Scandium trihydride sch3  
98 GaH3 Gallium trihydride gah3  
99 BH4 borohydride bh4  
100 BH4- borohydride anion bh4-  
101 AlH4- Aluminum tetrahydride anion alh4-  
102 C Carbon atom c  
103 C- Carbon atom anion c-  
104 C+ Carbon atom cation c+  
105 Si Silicon atom si  
106 Si- Silicon atom anion si-  
107 Si+ Silicon atom cation si+  
108 Ti Titanium atom ti  
109 Ti- Titanium atom anion ti-  
110 Ti+ Titanium atom cation ti+  
111 CH Methylidyne ch  
112 CH- methylidyne anion ch-  
113 CH+ Methylidyne cation ch+  
114 SiH Silylidyne sih  
115 SiH- silicon monohydride anion sih-  
116 SiH+ silicon monohydride cation sih+  
117 GeH+ Germaniun monohyrdide cation geh+  
118 CH2 Methylene ch2  
119 CH2- methylene anion ch2-  
120 CH2+ methylene cation ch2+  
121 SiH2 silicon dihydride sih2  
122 SiH2- silicon dihydride anion sih2-  
123 SiH2+ silicon dihydride cation sih2+  
124 GeH2- germylene anion geh2-  
125 CH3 Methyl radical ch3  
126 CH3- methyl anion ch3-  
127 CH3+ methyl cation ch3+  
128 SiH3 Silyl radical sih3  
129 SiH3- Silyl anion sih3-  
130 SiH3+ Silyl cation sih3+  
131 CD4 methane-d4 cd4  
132 CH2D2 methane-d2 ch2d2  
133 CH3D methane-d ch3d  
134 CH4 Methane ch4  
135 CH4- Methane anion ch4-  
136 CH4+ Methane cation ch4+  
137 CHD3 methane-d3 chd3  
138 SiH2D2 silane-d2 sih2d2  
139 SiH4 Silane sih4  
140 SiH4+ Silane cation sih4+  
141 GeH4 Germane geh4  
142 SiH5+ Silane, protonated sih5+  
143 N Nitrogen atom n  
144 N- Nitrogen atom anion n-  
145 N+ Nitrogen atom cation n+  
146 P Phosphorus atom p  
147 P- Phosphorus atom anion p-  
148 P+ Phosphorus atom cation p+  
149 V Vanadium atom v  
150 V+ Vanadium atom cation v+  
151 As- Arsenic anion as-  
152 As+ Arsenic cation as+  
153 NH Imidogen nh  
154 NH- Imidogen anion nh-  
155 NH+ imidogen cation nh+  
156 PH phosphorus monohydride ph  
157 PH- phosphorus monohydride anion ph-  
158 PH+ phosphorus monohydride cation ph+  
159 AsH+ Arsenic monohydride cation ash+  
160 ND2 Amidogen-d2 nd2  
161 NH2 Amino radical nh2  
162 NH2- amino anion nh2-  
163 NH2+ Amino cation nh2+  
164 PH2 Phosphino radical ph2  
165 PH2- Phosphino anion ph2-  
166 PH2+ Phosphino cation ph2+  
167 AsH2 Arsenic dihydride ash2  
168 AsH2+ Arsenic dihydride cation ash2+  
169 ND3 Ammonia-d3 nd3  
170 NH3 Ammonia nh3  
171 NH3- Ammonia anion nh3-  
172 NH3+ ammonia cation nh3+  
173 PH3 Phosphine ph3  
174 PH3+ Phosphine cation ph3+  
175 NH4 Ammonium radical nh4  
176 NH4+ ammonium cation nh4+  
177 PH4 Phosphoranyl radical ph4  
178 PH4+ phosphonium cation ph4+  
179 O Oxygen atom o  
180 O- Oxygen atom anion o-  
181 O+ Oxygen atom cation o+  
182 S Sulfur atom s  
183 S- Sulfur atom anion s-  
184 S+ Sulfur atom cation s+  
185 Cr Chromium atom cr  
186 DO Hydroxyl-d od  
187 OH Hydroxyl radical oh  
188 OH- hydroxide anion oh-  
189 OH+ hydoxyl cation oh+  
190 DS Mercapto-d ds  
191 HS Mercapto radical hs  
192 HS- mercapto anion sh-  
193 HS+ sulfur monohydride cation sh+  
194 CrH Chromium hydride crh  
195 CrH+ Chromium hydride cation crh+  
196 D2O Deuterium oxide d2o  
197 H2O Water h2o  
198 H2O- water anion h2o-  
199 H2O+ water cation h2o+  
200 HDO Water-d1 hdo  
201 D2S Hydrogen sulfide-d2 d2s  
202 H2S Hydrogen sulfide h2s  
203 H2S- Hydrogen sulfide anion h2s-  
204 H2S+ Hydrogen sulfide cation h2s+  
205 H3O+ hydronium cation h3o+  
206 H3S+ Sulfonium cation h3s+  
207 F Fluorine atom f  
208 F- Fluorine atom anion f-  
209 F+ Fluorine atom cation f+  
210 Cl Chlorine atom cl  
211 Cl- Chlorine atom anion cl-  
212 Cl+ Chlorine atom cation cl+  
213 Mn Manganese atom mn  
214 DF Hydrofluoric acid-d df  
215 HF Hydrogen fluoride hf  
216 HF- hydrogen fluoride anion hf-  
217 HF+ hydrogen fluoride cation hf+  
218 DCl Hydrochloric acid-d dcl  
219 HCl Hydrogen chloride hcl  
220 HCl- hydrogen chloride anion hcl-  
221 HCl+ hydrogen chloride cation hcl+  
222 H2F+ dihydrogen fluoride cation h2f+  
223 H2Cl+ dihydrogen monochloride cation h2cl+  
224 Ne Neon atom ne  
225 Ne- Neon atom anion ne-  
226 Ne+ Neon atom cation ne+  
227 Ar Argon atom ar  
228 Ar- Argon atom anion ar-  
229 Ar+ Argon atom cation ar+  
230 Fe Iron atom fe  
231 Kr Krypton atom kr  
232 Kr+ Krypton cation kr+  
233 HeLi+ Helium Lithium cation heli+  
234 NeH neon hydrogen neh  
235 NeH+ neon hydrogen cation neh+  
236 ArH+ Argon hydride cation arh+  
237 KrH+ Protonated Krypton krh+  
238 H2Ar H2 Ar dimer h2ar  
239 Co Cobalt atom cobalt  
240 Ni Nickel atom ni  
241 Li2 Lithium diatomic li2  
242 Li2- lithium diatomic anion li2-  
243 Li2+ lithium diatomic cation li2+  
244 NaLi lithium sodium lina  
245 NaLi- lithium sodium anion lina-  
246 NaLi+ lithium sodium cation lina+  
247 LiK Lithium Potassium lik  
248 Na2 Sodium diatomic na2  
249 Na2- sodium diatomic anion na2-  
250 Na2+ sodium diatomic cation na2+  
251 NaK Sodium Potassium nak  
252 NaK+ Sodium Potassium diatomic cation nak+  
253 K2 Potassium diatomic k2  
254 Cu2 Copper diatomic cu2  
255 LiBe Lithium Beryllium libe  
256 LiMg Lithium magnesium limg  
257 NaBe Sodium Beryllium nabe  
258 NaMg Sodium Magnesium namg  
259 Be2 Beryllium diatomic be2  
260 Be2- Beryllium diatomic anion be2-  
261 Be2+ Beryllium diatomic cation be2+  
262 BeMg Beryllium Magnesium bemg  
263 Mg2 Magnesium diatomic mg2  
264 Mg2- magnesium diatomic anion mg2-  
265 Mg2+ magnesium diatomic cation mg2+  
266 Ca2 Calcium diatomic ca2  
267 LiB Lithium boride lib  
268 LiAl Lithium Aluminum lial  
269 NaAl Sodium aluminum naal  
270 BeB Beryllium monoboride beb  
271 B2 Boron diatomic b2  
272 B2- Boron diatomic anion b2-  
273 B2+ Boron diatomic cation b2+  
274 BAl Boron Aluminum bal  
275 Al2 Aluminum diatomic al2  
276 Al2- aluminum diatomic anion al2-  
277 Al2+ aluminum diatomic cation al2+  
278 BGa Boron Gallium bga  
279 AlGa Aluminum Gallium alga  
280 Ga2 Gallium diatomic ga2  
281 HBBH Diborane(2) hbbh  
282 LiBH4 Lithium borohydride libh4  
283 B2H4 Diborane(4) D2d b2h4  
284 HBHHBH Diborane(4) C2V hbhhbh  
285 B2H6 Diborane b2h6  
286 B2H6+ Diborane cation b2h6  
287 Al2H6 dialane al2h6  
288 Ga2H6 digallane ga2h6  
289 LiC Lithium Carbide lic  
290 BeC Beryllium Carbide bec  
291 CaC Calcium monocarbide cac  
292 BC boron monocarbide bc  
293 BC- boron monocarbide anion bc-  
294 BC+ boron monocarbide cation bc+  
295 AlC Aluminum carbide alc  
296 BSi Boron silicide bsi  
297 C2 Carbon diatomic c2  
298 C2- carbon diatomic anion c2-  
299 C2+ carbon diatomic cation c2+  
300 SiC silicon monocarbide sic  
301 SiC- silicon monocarbide anion sic-  
302 SiC+ silicon monocarbide cation sic+  
303 Si2 Silicon diatomic si2  
304 Si2- silcon diatomic anion si2-  
305 Si2+ silcon diatomic cation si2+  
306 SiGe Silicon Germanium sige  
307 Ge2 Germanium diatomic ge2  
308 C2H Ethynyl radical c2h  
309 C2H- Ethynyl anion c2h-  
310 C2H+ Ethynyl cation c2h+  
311 ZnCH2 Zinc methylene znch2  
312 C2H2 Acetylene c2h2  
313 C2H2+ acetylene cation c2h2+  
314 CCH2 vinylidene vinylidene  
315 H2CC- vinylidene anion h2cc-  
316 HCCH- acetylene anion c2h2-  
317 Si2H2 disilyne si2h2  
318 CH3Li methyl lithium ch3li  
319 CuCH3 monomethyl copper cuch3  
320 ZnCH3 Zinc monomethyl znch3  
321 CH2BH methyleneborane ch2bh  
322 C2H3 vinyl c2h3  
323 C2H3- vinyl anion c2h3-  
324 C2H3+ vinyl cation c2h3+  
325 C2H4 Ethylene c2h4  
326 C2H4- Ethylene anion c2h4-  
327 C2H4+ Ethylene cation c2h4+  
328 CH3CH methylmethylene ch3ch  
329 CH2SiH2 silaethylene ch2sih2  
330 Si2H4 Disilene si2h4  
331 CH3BH2 methylborane ch3bh2  
332 C2H5 Ethyl radical c2h5  
333 C2H5- Ethyl anion c2h5-  
334 C2H5+ Ethyl cation c2h5+  
335 C2H6 Ethane c2h6  
336 C2H6+ ethane cation c2h6+  
337 CH3SiH3 methyl silane ch3sih3  
338 Si2H6 disilane si2h6  
339 GeH3CH3 methyl germane geh3ch3  
340 C2H7+ Ethane, protonated c2h7+  
341 LiN Lithium Nitride lin  
342 LiN+ Lithium Nitride cation lin+  
343 LiP Lithium monophosphide lip  
344 BeN Beryllium mononitride ben  
345 BeN- Beryllium mononitride anion ben-  
346 BeN+ Beryllium mononitride cation ben+  
347 MgN Magnesium Nitride mgn  
348 BN- boron nitride anion bn-  
349 AlN- aluminum mononitride anion aln-  
350 AlN+ aluminum mononitride cation aln+  
351 BP Boron monophosphide bp  
352 AlP Aluminum monophosphide alp  
353 GaN Gallium mononitride gan  
354 GaP Gallium monophosphide gap  
355 BN boron nitride bn  
356 BN+ boron nitride cation bn+  
357 AlN Aluminum nitride aln  
358 CN Cyano radical cn  
359 CN- cyanide anion cn-  
360 CN+ Cyano cation cn+  
361 CP Carbon monophosphide cp  
362 CP- carbon monophosphide anion cp-  
363 CP+ carbon monophosphide cation cp+  
364 SiN Silicon nitride sin  
365 SiN- silicon mononitride anion sin-  
366 SiN+ silicon mononitride cation sin+  
367 SiP Silicon monophosphide sip  
368 SiP- Silicon monophosphide anion sip-  
369 SiP+ Silicon monophosphide cation sip+  
370 TiN Titanium mononitride tin  
371 N2 Nitrogen diatomic n2  
372 N2- nitrogen diatomic anion n2-  
373 N2+ diatomic nitrogen cation n2+  
374 PN Phosphorus mononitride pn  
375 PN- phosphorus nitride anion pn-  
376 PN+ phosphorus nitride cation pn+  
377 P2 Phosphorus diatomic p2  
378 P2- phosphorus diatomic anion p2-  
379 P2+ phosphorus diatomic cation p2+  
380 AsN Arsenic mononitride asn  
381 AsP Arsenic monophosphide asp  
382 SbN Antimony nitride sbn  
383 As2 Arsenic diatomic as2  
384 HNB hydrogen nitrogen boron hnb  
385 HNC hydrogen isocyanide hnc  
386 HCN Hydrogen cyanide hcn  
387 HCN- Hydrogen cyanide anion hcn-  
388 HCN+ hydrogen cyanide cation hcn+  
389 HNC+ hydrogen isocyanide cation hnc+  
390 HCP Phosphaethyne hcp  
391 HCP+ Phosphaethyne cation hcp+  
392 NNH Dinitrogen monohydride nnh  
393 NNH+ Dinitrogen monohydride cation nnh+  
394 HPO Hydrogen phosphorus oxide hpo  
395 HPO+ Hydrogen phosphorus oxide cation hpo+  
396 LiNH2 lithium amide linh2  
397 HBNH Boranimine hbnh  
398 CNH2 Aminomethylidyne radical cnh2  
399 CNH2+ N-protonated hydrogen isocyanide cnh2+  
400 H2CN Dihydrogen cyanide radical h2cn  
401 H2CN+ hydrocyanonium cation h2cn+  
402 HCNH methyleneazane hcnh  
403 HCNH+ N-protonated HCN hcnh+  
404 H2NN Isodiazene h2nn  
405 N2H2 (E)-diazene n2h2  
406 N2H2 (Z)-Diazene n2h2z  
407 N2H2+ trans-diazene cation n2h2+  
408 CH2NH Methanimine ch3n  
409 CH2NH+ Methanimine cation ch2nh+  
410 CHNH2 aminomethylene chnh2  
411 CHNH2+ Aminocarbene cation chnh2+  
412 CH2PH Phosphaethene ch3p  
413 BH2NH2 Boranamine bh2nh2  
414 CH2NH2+ methyleneamine cation ch2nh2+  
415 N2H4 Hydrazine n2h4  
416 N2H4+ hydrazine cation n2h4+  
417 P2H4 Diphosphine p2h4  
418 CH3NH2 methyl amine ch3nh2  
419 CH3NH2+ methyl amine cation ch3nh2+  
420 CH3PH2 Methyl phosphine ch3ph2  
421 SiH3NH2 Silane, amino sih3nh2  
422 N2H5+ protonated hydrazine n2h5+  
423 BH3PH3 borane phosphine bh3ph3  
424 BH3NH3 borane ammonia bh3nh3  
425 CH3NH3 methyl ammonium radical ch3nh3  
426 CH3NH3+ protonated methylamine ch3nh3+  
427 CH3PH3+ methyl phosphine, protonated ch3ph3+  
428 NH3NH3 Ammonia Dimer nh3nh3  
429 N2H7+ ammonia ammonium dimer n2h7+  
430 LiO lithium oxide lio  
431 LiO- lithium oxide anion lio-  
432 LiO+ lithium oxide cation lio+  
433 LiS Lithium monosulfide lis  
434 LiS+ Lithium sulfide cation lis+  
435 NaO sodium monoxide nao  
436 NaO- sodium oxide anion nao-  
437 NaO+ sodium oxide cation nao+  
438 KO Potassium monoxide ko  
439 KO+ Potassium monoxide cation ko+  
440 NaS Sodium sulfide nas  
441 CuO Copper Monoxide cuo  
442 BeO beryllium oxide beo  
443 BeO- Beryllium monoxide anion beo-  
444 BeO+ Beryllium monoxide cation beo+  
445 BeS beryllium sulfide bes  
446 MgO magnesium oxide mgo  
447 MgO- magnesium oxide anion mgo-  
448 MgO+ magnesium oxide cation mgo+  
449 CaO Calcium monoxide cao  
450 MgS magnesium sulfide mgs  
451 MgS- magnesium sulfide anion mgs-  
452 MgS+ magnesium sulfide cation mgs+  
453 CaS Calcium sulfide cas  
454 ZnO zinc monoxide zno  
455 ZnS Zinc sulfide zns  
456 BeS- Beryllium monosulfide anion bes-  
457 BeS+ Beryllium monosulfide cation bes+  
458 BO boron monoxide bo  
459 BO- boron monoxide anion bo-  
460 AlO Aluminum monoxide alo  
461 AlO- Aluminum monoxide anion alo-  
462 AlO+ aluminum monoxide cation alo+  
463 BS boron sulfide bs  
464 BS- boron monosulfide anion bs-  
465 BS+ boron monosulfide cation bs+  
466 AlS Aluminum sulfide als  
467 AlS- aluminum monosulfide anion als-  
468 AlS+ aluminum monosulfide cation als+  
469 ScO Scandium monoxide sco  
470 GaS Gallium monosulfide gas  
471 BO+ boron monoxide cation bo+  
472 CO Carbon monoxide co  
473 CO- carbon monoxide anion co-  
474 CO+ carbon monoxide cation co+  
475 CS carbon monosulfide cs  
476 CS- carbon monosulfide anion cs-  
477 CS+ carbon monosulfide cation cs+  
478 SiO Silicon monoxide sio  
479 SiO- silicon monoxide anion sio-  
480 SiO+ silicon monoxide cation sio+  
481 SiS silicon monosulfide sis  
482 SiS- silicon monosulfide anion sis-  
483 SiS+ silicon monosulfide cation sis+  
484 TiO Titanium monoxide tio  
485 CSe- Carbon monoselenide anion cse-  
486 CSe+ Carbon monoselenide cation cse+  
487 GeO+ Germanium monoxide cation geo+  
488 GeS Germanium monosulfide ges  
489 SiSe Silicon Monoselenide sise  
490 SiSe+ Silicon Monoselenide cation sise+  
491 NO Nitric oxide no  
492 NO- nitric oxide anion no-  
493 NO+ nitric oxide cation no+  
494 NS Mononitrogen monosulfide ns  
495 NS- nitrogen sulfide anion ns-  
496 NS+ nitrogen sulfide cation ns+  
497 PO Phosphorus monoxide po  
498 PO- phosphorus monoxide anion po-  
499 PO+ phosphorus monoxide cation po+  
500 PS phosphorus sulfide ps  
501 PS- phosphorus monosulfide anion ps-  
502 PS+ phosphorus monosulfide cation ps+  
503 VO Vanadium monoxide vo  
504 AsO Arsenic monoxide aso  
505 NSe Nitrogen monoselenide nse  
506 AsS Arsenic monosulfide ass  
507 PSe Phosphorus monoselenide pse  
508 AsSe Arsenic monoselenide asse  
509 O2 Oxygen diatomic o2  
510 O2- oxygen diatomic anion o2-  
511 O2-- dioxygen dianion o2--  
512 O2+ diatomic oxygen cation o2+  
513 SO Sulfur monoxide so  
514 SO- sulfur monoxide anion so-  
515 SO+ sulfur monoxide cation so+  
516 S2 Sulfur diatomic s2  
517 S2- sulfur diatomic anion s2-  
518 S2+ sulfur diatomic cation s2+  
519 SeO- selenium monoxide anion seo-  
520 SeO+ selenium monoxide cation seo+  
521 SeS Selenium monosulfide ses  
522 SeS- selenium monosulfide anion ses-  
523 SeS+ selenium monosulfide cation ses+  
524 Se2- selenium diatomic anion se2-  
525 Se2+ selenium diatomic cation se2+  
526 LiOH lithium hydroxide lioh  
527 NaOH sodium hydroxide naoh  
528 KOH Potassium hydroxide koh  
529 BeOH beryllium monohydroxide beoh  
530 MgOH magnesium hydroxide mgoh  
531 CaOH Calcium monohydroxide caoh  
532 HBO Boron hydride oxide hbo  
533 HBS hydrogen boron sulfide hbs  
534 COH Hydroxymethylidyne coh  
535 COH+ Carbon Monoxide, protonated coh+  
536 HCO Formyl radical hco  
537 HCO- formyl anion hco-  
538 HCO+ Formyl cation hco+  
539 HCS Thioformyl radical hcs  
540 HCS- Thioformyl anion hcs-  
541 HCS+ Thioformyl cation hcs+  
542 HNO Nitrosyl hydride hno  
543 HNO- Nitrosyl hydride anion hno-  
544 HNO+ Nitrosyl hydride cation hno+  
545 NOH Hydroxyimidogen noh  
546 NOH+ O-protonated nitric oxide noh+  
547 HNS Sulfur imide hns  
548 HNS- Sulfur imide anion hns-  
549 HO2 Hydroperoxy radical ho2  
550 HO2- Hydroperoxy anion ho2-  
551 HO2+ Hydroperoxy cation ho2+  
552 HSO+ Sulfur Monoxide, S-protonated HSO+  
553 SOH Sulfur Hydroxide soh  
554 SOH+ Sulfur Monoxide, protonated soh+  
555 HS2 Thiosulfeno radical hs2  
556 H2CO Formaldehyde h2co  
557 H2CO- formaldehyde anion h2co-  
558 H2CO+ formaldehyde cation h2co+  
559 HOCH hydroxycarbene hoch  
560 H2CS Thioformaldehyde h2cs  
561 H2CS- thioformaldehyde anion h2cs-  
562 H2CS+ thioformaldehyde cation h2cs+  
563 H2NO nitroxide h2no  
564 H2O2 Hydrogen peroxide h2o2  
565 H2O2+ Hydrogen peroxide cation h2o2+  
566 H2OO water oxide h2oo  
567 HOSH hydrogen thioperoxide hosh  
568 H2S2 Disulfane h2s2  
569 H2S2+ hydrogen disulfide cation h2s2+  
570 CH2OH Hydroxymethyl radical ch2oh  
571 CH2OH+ hydroxymethyl cation ch2oh+  
572 CH3O Methoxy radical ch3o  
573 CH3O- methoxy anion ch3o-  
574 CH3O+ Methoxy cation ch3o+  
575 CH3S thiomethoxy ch3s  
576 H2CSH+ Thioformaldehyde, protonated h2csh+  
577 NH2OH hydroxylamine nh2oh  
578 NH2OH+ Hydroxylamine cation nh2oh+  
579 NH3O Ammonia Oxide nh3o  
580 H2POH Phosphinous acid h2poh  
581 H3PO Phosphine oxide h3po  
582 NH2SH Thiohydroxylamine nh2sh  
583 NH3S sulfidoazane nh3s  
584 H3O2+ hydrogen peroxide, protonated h3o2+  
585 CH3OH Methyl alcohol ch3oh  
586 CH3OH- Methyl alcohol anion ch3oh-  
587 CH3OH+ Methyl alcohol cation ch3oh+  
588 CH3SH Methanethiol ch3sh  
589 CH3SH+ Methanethiol cation ch3sh+  
590 SiH3OH silanol sih3oh  
591 CH3SeH Methane selenol ch3seh  
592 NH2OH2+ protonated hydroxylamine nh2oh2+  
593 NH3OH+ N-protonated hydroxylamine nh3oh+  
594 H2OH2O water dimer h2oh2o  
595 CH3OH2+ Methanol, protonated ch3oh2+  
596 CH3SH2+ protonated methylsulfide ch3sh2+  
597 H2ONH3 Water Ammonia Dimer h2onh3  
598 H5O2+ Dihydroxonium ion h5o2+  
599 LiF lithium fluoride lif  
600 LiCl lithium chloride licl  
601 LiCl- lithium chloride anion licl-  
602 LiCl+ lithium chloride cation licl+  
603 NaF sodium fluoride naf  
604 NaF- sodium fluoride anion naf-  
605 NaF+ sodium fluoride cation naf+  
606 KF Potassium Fluoride kf  
607 NaCl Sodium Chloride nacl  
608 NaCl- sodium chloride anion nacl-  
609 NaCl+ sodium chloride cation nacl+  
610 KCl Potassium Chloride kcl  
611 CuF Copper monofluoride cuf  
612 LiBr- lithium bromide anion libr-  
613 LiBr+ lithium bromide cation libr+  
614 CuCl Copper monochloride cucl  
615 NaBr Sodium Bromide nabr  
616 NaBr- sodium bromide anion nabr-  
617 NaBr+ sodium bromide cation nabr+  
618 KBr Potassium Bromide kbr  
619 KI Potassium Iodide ki  
620 LiF- lithium fluoride anion lif-  
621 LiF+ lithium fluoride cation lif+  
622 BeF Beryllium monofluoride bef  
623 BeF- Beryllium monofluoride anion bef-  
624 BeF+ Beryllium monofluoride cation bef+  
625 BeCl beryllium monochloride becl  
626 MgF Magnesium monofluoride mgf  
627 MgF- magnesium fluoride anion mgf-  
628 MgF+ magnesium fluoride cation mgf+  
629 CaF Calcium monofluoride caf  
630 MgCl magnesium monochloride mgcl  
631 MgCl- magnesium monochloride anion mgcl-  
632 MgCl+ magnesium monochloride cation mgcl+  
633 CaCl calcium monochloride cacl  
634 TiCl Titanium Monochloride ticl  
635 ZnF Zinc monofluoride znf  
636 ZnF- Zinc monofluoride anion znf-  
637 ZnF+ Zinc monofluoride cation znf+  
638 ZnCl Zinc monochloride zncl  
639 CaBr Calcium monobromide cabr  
640 BeCl- beryllium monochloride anion becl-  
641 BeCl+ beryllium monochloride cation becl+  
642 BF Boron monofluoride bf  
643 BF- Boron monofluoride anion bf-  
644 BF+ Boron monofluoride cation bf+  
645 AlF Aluminum monofluoride alf  
646 AlF- Aluminum monofluoride anion alf-  
647 AlF+ Aluminum monofluoride cation alf+  
648 BCl boron monochloride bcl  
649 BCl- boron monochloride anion bcl-  
650 BCl+ boron monochloride cation bcl+  
651 AlCl Aluminum monochloride alcl  
652 AlCl- aluminum monochloride anion alcl-  
653 AlCl+ aluminum monochloride cation alcl+  
654 ScF Scandium monofluoride scf  
655 BBr Boron monobromide bbr  
656 GaF+ Gallium monofluoride cation gaf+  
657 AlBr Aluminum monobromide albr  
658 GaCl+ Gallium monochloride cation gacl+  
659 CF Fluoromethylidyne cf  
660 CF- carbon monofluoride anion cf-  
661 CF+ carbon monofluoride cation cf+  
662 CCl carbon monochloride ccl  
663 CCl- carbon monochloride anion ccl-  
664 CCl+ carbon monochloride cation ccl+  
665 SiF silicon monofluoride sif  
666 SiF- silicon monofluoride anion sif-  
667 SiF+ silicon monofluoride cation sif+  
668 SiCl Clorosilylidyne sicl  
669 SiCl- silicon monochloride anion sicl-  
670 SiCl+ silicon monochloride cation sicl+  
671 GeF+ Germanium monofluoride cation gef+  
672 GeCl+ Germanium monochloride cation gecl+  
673 SiBr Silicon monobromide sibr  
674 SiBr+ Silicon monobromide cation sibr+  
675 NF nitrogen fluoride nf  
676 NF- nitrogen monofluorine anion nf-  
677 NF+ nitrogen monofluoirde cation nf+  
678 NCl nitrogen monochloride ncl  
679 NCl- nitrogen monochloride anion ncl-  
680 NCl+ nitrogen monochloride cation ncl+  
681 PF phosphorus monofluoride pf  
682 PF- phosphorus monofluoride anion pf-  
683 PF+ phosphorus monofluoride cation pf+  
684 PCl phosphorus chloride pcl  
685 PCl- phosphorus monochloride anion pcl-  
686 PCl+ phosphorus monochloride cation pcl+  
687 AsF Arsenic monofluoride asf  
688 NBr nitrogen monobromide nbr  
689 AsCl Arsenic monochloride ascl  
690 PBr Phosphorus monobromide pbr  
691 SbF Antimony monofluoride sbf  
692 SbCl Antimony monochloride sbcl  
693 FO Oxygen monofluoride fo  
694 FO- flourine oxide anion fo-  
695 FO+ fluorine monoxide cation fo+  
696 ClO Monochlorine monoxide clo  
697 ClO- chlorine monoxide anion clo-  
698 ClO+ chlorine monoxide cation clo+  
699 SF Monosulfur monofluoride sf  
700 SF- sulfur monofluoride anion sf-  
701 SF+ sulfur monofluoride cation sf+  
702 SCl sulfur monochloride scl  
703 SCl- sulfur monochloride anion scl-  
704 SCl+ sulfur monochloride cation scl+  
705 BrO- Bromine monoxide anion bro-  
706 SeF Selenium monofluoride sef  
707 SeCl Selenium monochloride secl  
708 F2 Fluorine diatomic f2  
709 F2- flourine diatomic anion f2-  
710 F2+ flourine diatomic cation f2+  
711 ClF Chlorine monofluoride clf  
712 ClF- clorine monofluoride anion clf-  
713 ClF+ clorine monofluoride cation clf+  
714 Cl2 Chlorine diatomic cl2  
715 Cl2- chlorine diatomic anion cl2-  
716 Cl2+ chlorine diatomic cation cl2+  
717 BrF- bromine fluoride anion brf-  
718 BrF+ bromine fluoride cation brf+  
719 BrCl- bromine chloride anion brcl-  
720 BrCl+ bromine chloride cation brcl+  
721 HCF Fluoromethylene hcf  
722 HCCl Chloromethylene hccl  
723 HSiF fluorosilylene hsif  
724 HSiCl Chlorosilylene hsicl  
725 CHBr bromomethylene chbr  
726 HOF Hypofluorous acid hfo  
727 DOCl Hypochlorous acid-d docl  
728 HOCl hypochlorous acid hocl  
729 HOCl+ hypochlorous acid cation hocl+  
730 HOBr Hypobromous acid hobr  
731 HOBr+ Hypobromous acid cation hobr+  
732 F2H+ Fluorine, protonated f2h+  
733 FHF Hydrogen difluoride fhf  
734 FHF- Hydrogen difluoride anion fhf-  
735 ClFH+ Chlorine fluoride, F-protonated clfh+  
736 FClH+ Chlorine fluoride, Cl-protonated fclh+  
737 Cl2H+ Chlorine, protonated cl2h+  
738 CH2F fluoromethyl radical ch2f  
739 CH2F+ fluoromethyl cation ch2f+  
740 CH2Cl+ chloromethyl cation ch2cl+  
741 CH2Cl chloromethyl radical ch2cl  
742 NH2F monofluoroamine nh2f  
743 NH2Cl chloramine nh2cl  
744 H2F2 Hydrogen fluoride dimer h2f2  
745 CH3F+ methyl fluoride cation ch3f+  
746 CD3F methylfluoride-d3 cd3f  
747 CH3F Methyl fluoride ch3f  
748 CD3Cl methyl chloride d3 cd3cl  
749 CH3Cl Methyl chloride ch3cl  
750 CH3Cl+ Methyl chloride cation ch3cl+  
751 SiH3F monofluorosilane sih3f  
752 SiH3Cl chlorosilane sih3cl  
753 GeH3F monofluorogermane geh3f  
754 SiH3Br bromosilane sih3br  
755 NH3Cl+ protonated monochloroammonia nh3cl+  
756 CH3ClH+ methyl chloride, protonated ch3clh+  
757 NH4Cl Ammonium chloride nh4cl  
758 LiNe+ Lithium Neon cation line+  
759 Ne2 Neon diatomic ne2  
760 Ne2+ Neon diatomic cation ne2+  
761 Ar2 Argon diatomic ar2  
762 Ar2+ Argon diatomic cation ar2+  
763 Li3 Lithium trimer li3  
764 Li3+ Lithium trimer cation li3+  
765 C3 carbon trimer c3  
766 C3+ carbon trimer cation c3+  
767 SiC2 Silicon dicarbide sic2  
768 C3H3 cyclopropenyl radical cpr  
769 C3H3 Propargyl radical propargyl  
770 C3H3- Propargyl anion c3h3-  
771 C3H3+ cyclopropenyl cation cpr+  
772 C3H3+ Propargyl cation c3h3+  
773 C3H4 cyclopropene cprop  
774 CH2CCH2 allene allene  
775 CH3CCH propyne propyne  
776 C3H5 Allyl radical allyl  
777 C3H5+ Allyl cation allyl+  
778 CH3CHCH 1-propenyl radical ch3chch  
779 Zn(CH3)2 dimethyl zinc dmz  
780 C3H6 Cyclopropane c3h6  
781 CH2CHCH3 Propene propene  
782 C3H7 n-Propyl radical npropyl  
783 C3H7+ cyclopropane, protonated c3h7+  
784 CH3CHCH3 Isopropyl radical isopropyl  
785 CH3CHCH3+ Isopropyl cation prop2yl+  
786 C3H8 Propane propane  
787 SiH2(CH3)2 dimethylsilane dms  
788 Si3H8 trisilane si3h8  
789 LiCN lithium cyanide licn  
790 NaCN Sodium Cyanide nacn  
791 KCN Potassium cyanide kcn  
792 CuCN Copper cyanide cucn  
793 ZnCN Zinc monocyanide zncn  
794 ZnNC Zinc isocyanide znnc  
795 AlCN Aluminum monocyanide alcn  
796 AlNC Aluminum isocyanide alnc  
797 CN2 3H-Diazirin-3-ylidene cn2  
798 CNN Diazocarbene cnn  
799 NCN Cyanoimidogen ncn  
800 N3 azide radical n3  
801 N3- azide anion n3-  
802 N3+ azide cation n3+  
803 HCCN cyanomethylene hccn  
804 HCNN diazomethyl radical hcnn  
805 HN3 hydrogen azide hn3  
806 HN3+ Hydrazoic acid cation hn3+  
807 HNCNH diiminomethane hncnh  
808 CH2N2 diazirine ch2n2  
809 CH2NN diazomethane ch2nn  
810 NH2CN cyanamide cyanamide  
811 HNNNH+ 1,2-Triazadienium n2h3+  
812 NH2NN+ hydrazoic acid, protonated nh2nn+  
813 CH3CN Acetonitrile ch3cn  
814 CH3CN- acetonitrile anion ch3cn-  
815 CH3CN+ Acetonitrile cation ch3cn+  
816 CH3NC methyl isocyanide ch3nc  
817 CHNCH2 2H-Azirine c157164  
818 CHNHCH 1H-Azirine chnhch  
819 H2CCNH Ethenimine ch2cnh  
820 H2CNCH methyleneaminomethylene ch2nch  
821 HCCNH2 Ethynamine hccnh2  
822 HCNCH2+ 2H-Azirine cation hcnch2+  
823 HNCNH2+ diiminomethane, protonated hncnh2+  
824 NCNH3+ Cyanamide, protonated ncnh3+  
825 NH2CNH+ cyanamide, cn protonated nh2cnh+  
826 NH3CN+ cyanamide, amine protonated nh3cn+  
827 CH2CHNH vinylazine ch2chnh  
828 CH3CHN methylmethaniminyl radical ch3chn  
829 NHCHNH2 aminomethanimine cn2h4  
830 C2H5N Aziridine c2h5n  
831 CH2CHNH2 aminoethene aminoethene  
832 CH2NCH3 N-methylmethanimine nmm  
833 CH3CHNH ethanimine ethanimine  
834 NH2BHNH2 diaminoborane nh2bhnh2  
835 C2H5NH+ Protonated Aziridine c2h5nh+  
836 C2H6N+ aziridine, protonated c2h6n+  
837 NH2CH2NH2 diaminomethane nh2ch2nh2  
838 CH3CH2NH2 Ethylamine etam  
839 CH3NHCH3 Dimethylamine ch3nhch3  
840 CH3PHCH3 dimethylphosphine ch3phch3  
841 NH2CH2NH3+ diaminoethane, protonated pdam  
842 (CH3)2NH2+ dimethylammonium cation dmam  
843 CH3CH2NH3+ ethylamine, protonated pea  
844 Li2O dilithium oxide li2o  
845 Li2O+ dilithium oxide cation li2o+  
846 Li2S dilithium sulfide li2s  
847 Na2O disodium monoxide na2o  
848 Na2S Sodium sulfide na2s  
849 LiO2 Lithium dioxide lio2  
850 NaO2 Sodium superoxide nao2  
851 CCO Dicarbon monoxide cco  
852 CNO- fulminate cno-  
853 NCO isocyanato radical nco  
854 NCO- cyanate nco-  
855 SCN thiocyanato radical scn  
856 SCN- thiocyanide anion scn-  
857 BO2 Boron dioxide bo2  
858 BO2- Boron dioxide anion bo2-  
859 BO2+ Boron dioxide cation bo2+  
860 N2O Nitrous oxide n2o  
861 N2O- Nitrous oxide anion n2o-  
862 N2O+ Nitrous oxide cation n2o+  
863 NNS Nitrogen sulfide nns  
864 PPO Phosphorus oxide phosphide ppo  
865 CO2 Carbon dioxide co2  
866 CO2- Carbon dioxide anion co2-  
867 CO2+ Carbon dioxide cation co2+  
868 OCS Carbonyl sulfide cos  
869 OCS+ Carbonyl sulfide cation cos+  
870 SiO2 silicon dioxide sio2  
871 CS2 Carbon disulfide cs2  
872 CS2- Carbon disulfide anion cs2-  
873 CS2+ Carbon disulfide cation cs2+  
874 TiO2 Titanium dioxide tio2  
875 SiS2 Silicon disulfide sis2  
876 OCSe Carbonyl selenide ocse  
877 SCSe Carbon sulfide selenide scse  
878 GeS2 Germanium disulfide ges2  
879 CSe2 Carbon diselenide cse2  
880 NO2 Nitrogen dioxide no2  
881 NO2- Nitrogen dioxide anion no2-  
882 NO2+ Nitrogen dioxide cation no2+  
883 NSO sulfinyl amidogen NSO  
884 PO2 Phosphorus dioxide po2  
885 PO2- Phosphorus dioxide anion po2-  
886 PO2+ Phosphorus dioxide cation po2+  
887 SNO Nitrogen oxide sulfide sno  
888 AsO2 Aresenic dioxide aso2  
889 O3 Ozone o3  
890 O3- Ozone anion o3-  
891 O3+ Ozone cation o3+  
892 SO2 Sulfur dioxide so2  
893 SO2- Sulfur dioxide anion so2-  
894 SO2+ Sulfur dioxide cation so2+  
895 SSO Disulfur monoxide sso  
896 S3 Sulfur trimer s3  
897 S3- Sulfur trimer anion s3-  
898 S3+ Sulfur trimer cation s3+  
899 SeO2+ Selenium dioxide cation seo2+  
900 HCCO ketenyl radical ketenyl  
901 CS2H+ Carbon disulfide, protonated cs2h+  
902 HCNO fulminic acid hcno  
903 HNCO Isocyanic acid hnco  
904 HOCN cyanic acid hocn  
905 HNCS Isothiocyanic acid hncs  
906 HSCN thiocyanic acid hscn  
907 HCO2- formate anion hco2-  
908 HNNO nitrosoazane hnno  
909 HNNO+ Nitrous oxide, N-protonated hnno+  
910 NNOH+ Nitrous Oxide, O-protonated nnoh+  
911 HCOO formate neutral radical hcoo  
912 HOCO Hydrocarboxyl radical hoco  
913 HOCO+ Hydrocarboxyl cation hoco+  
914 HNO2 Nitrous acid hno2  
915 HNO2+ nitrous acid cation hno2+  
916 O3H+ protonated ozone o3h+  
917 SO2H+ protonated sulfur dioxide so2h+  
918 C2H2O Oxirene oxirene  
919 CH2CO Ketene ch2co  
920 CH2CO+ Ketene cation ch2co+  
921 HCCOH ethynol hccoh  
922 CH2CS Thioketene ch2cs  
923 Be(OH)2 Beryllium hydroxide beo2h2  
924 Mg(OH)2 Magnesium dihydroxide h2mgo2  
925 NH2NO Nitrosamide nh2no  
926 CH2O2 Dioxirane diox  
927 H2COO Dioxymethyl radical h2coo  
928 H2COO+ dioxymethyl cation h2coo+  
929 HCOOH Formic acid ch2o2  
930 H2O3 Hydrogen trioxide h2o3  
931 HSSSH trisulfane hsssh  
932 NaOCH3 Sodium methoxide naoch3  
933 CH2BOH hydroxy(methylene)borane ch2boh  
934 BH3CO Borane carbonyl bh3co  
935 CH3BO Borane, methyloxo- ch3bo  
936 CH2CHO Vinyloxy radical ch2cho  
937 CH2COH+ ketene, protonated ch2coh+  
938 CH3CO Acetyl radical ch3co  
939 CH3CO- Acetyl anion ch3co-  
940 CH3CO+ acetyl cation ch3co+  
941 CH2NOH formaldoxime ch2noh  
942 CH3NO nitrosomethane ch3no  
943 CHONH2 formamide formamide  
944 CNOH3 1,2-oxaziridine cnoh3  
945 HOCHNH hydroxymethylimine hochnh  
946 CHSNH2 thioformamide chsnh2  
947 NHCHSH Methanimidothioic acid nhchsh  
948 CH2OOH CH2OOH radical ch2ooh  
949 CH3OO methylperoxy radical ch3oo  
950 CH3OO- methylperoxy anion ch3oo-  
951 CH3OO+ methylperoxy cation ch3oo+  
952 C2H4O Ethylene oxide c2h4o  
953 C2H4O+ ethylene oxide cation c2h4o+  
954 CH2CHOH ethenol ch2choh  
955 CH3CHO Acetaldehyde ch3cho  
956 CH3CHO+ acetaldehyde cation ch3cho+  
957 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
958 C2H4S Thiirane thiirane  
959 CH2CHSH Ethenethiol ch2chsh  
960 CH3CHS Thioacetaldehyde ch3chs  
961 H2CONH2+ protonated formamide h2conh2+  
962 NH2CHOH+ Formamide, O-protonated nh2choh+  
963 NH3CHO+ Formamide, N-Protonated nh3cho+  
964 CH2(OH)2 methanediol ch2o2h2  
965 CH3OOH Methyl peroxide ch3ooh  
966 CH3SSH Hydrogen methyl disulfide ch3ssh  
967 HSCH2SH Methanedithiol ch4s2  
968 H2OH2CO water formaldehyde dimer h2oh2co  
969 C2H4OH+ ethylene oxide, protonated c2h4oh+  
970 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
971 CH3CH2O Ethoxy radical ethoxy  
972 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
973 CH3CHOH+ acetaldehyde, protonated ch3choh+  
974 CH3OCH2 methoxymethyl radical ch3och2  
975 NH2CH2OH aminomethanol nh2ch2oh  
976 CH3CH2OH Ethanol etoh  
977 CH3OCH3 Dimethyl ether meome  
978 CH3CH2SH ethanethiol etsh  
979 CH3SCH3 Dimethyl sulfide mesme  
980 CH3SCH3+ dimethyl sulfide cation mesme+  
981 CH3SeCH3 dimethylselenide dmse  
982 CH3OHH2O methanol water dimer ch3ohh2o  
983 H2OCH3OH water methanol dimer h2och3oh  
984 CuF2 Copper difluoride cuf2  
985 ZnF2 Zinc difluoride znf2  
986 CNF iso cyanogen fluoride cnf  
987 FCN Cyanogen fluoride fcn  
988 ClCN chlorocyanogen clcn  
989 FBO Boron monofluoride monoxide fbo  
990 BeF2 Beryllium fluoride bef2  
991 MgF2 Magnesium fluoride mgf2  
992 BeCl2 Beryllium chloride becl2  
993 MgCl2 Magnesium dichloride mgcl2  
994 CaCl2 Calcium Chloride cacl2  
995 ZnCl2 Zinc dichloride zncl2  
996 CaF2 Calcium difluoride caf2  
997 FCO Carbonyl fluoride fco  
998 FCO+ Carbonyl fluoride cation fco+  
999 ClCO carbonyl monochloride clco  
1000 BF2 Boron difluoride radical bf2  
1001 FNO Nitrosyl fluoride fno  
1002 ClNO Nitrosyl chloride clno  
1003 FNS Thionitrosyl fluoride fns  
1004 FSN Thiazyl fluoride fsn  
1005 OPCl Phosphorus oxychloride opcl  
1006 BrNO Nitrosyl bromide brno  
1007 INO Nitrosyl iodide ino  
1008 CF2 Difluoromethylene cf2  
1009 CF2- Difluoromethylene anion cf2-  
1010 CF2+ Difluoromethylene cation cf2+  
1011 CFCl chlorofluoromethylene cfcl  
1012 SiF2 Silicon difluoride sif2  
1013 SiF2+ Silicon difluoride cation sif2+  
1014 CCl2 dichloromethylene ccl2  
1015 CCl2- dichloromethylene anion ccl2-  
1016 CCl2+ dichloromethylene cation ccl2+  
1017 SiCl2 Dichlorosilylene sicl2  
1018 GeF2 Germanium difluoride gef2  
1019 CBr2 dibromomethylene cbr2  
1020 FOO Dioxygen monofluoride radical foo  
1021 FOO+ Fluorine dioxide cation foo+  
1022 ClOO chloroperoxy radical cloo  
1023 ClOO+ chloroperoxy cation cloo+  
1024 OClO Chlorine dioxide oclo  
1025 OClO- Chlorine dioxide anion oclo-  
1026 OClO+ Chlorine dioxide cation oclo+  
1027 ClSO Sulfur chloride oxide clso  
1028 ClS2 Sulfur chloride cls2  
1029 OBrO Bromine dioxide radical obro  
1030 NF2 Difluoroamino radical nf2  
1031 NF2+ Difluoroamino cation nf2+  
1032 PF2 Phosphorus difluoride pf2  
1033 PF2+ Phosphorus difluoride cation pf2+  
1034 FClO chlorosyl fluoride fclo  
1035 F2O Difluorine monoxide f2o  
1036 ClOF Chlorine hypofluorite clof  
1037 SF2 sulfur difluoride sf2  
1038 SF2- sulfur difluoride anion sf2-  
1039 SF2+ sulfur difluoride cation sf2+  
1040 Cl2O Dichlorine monoxide cl2o  
1041 SCl2 Sulfur dichloride scl2  
1042 BrOCl Bromine hypochlorite brocl  
1043 SeCl2 Selenium Dichloride secl2  
1044 BrOBr Bromine oxide brobr  
1045 F3- trifluoride anion f3-  
1046 Cl3- trichloride anion cl3-  
1047 SFCl Sulfur chloride fluoride sfcl  
1048 HCCF Fluoroacetylene hccf  
1049 HCCF+ fluoroacetylene cation hccf+  
1050 HCCCl Chloroacetylene hcccl  
1051 HCCBr bromoacetylene hccbr  
1052 HFCO formyl fluoride hfco  
1053 HFCO+ formyl fluoride cation hfco+  
1054 COHCl Formyl chloride cohcl  
1055 COHBr Formyl bromide cohbr  
1056 BHF2 Difluoroborane bhf2  
1057 BHCl2 Borane, dichloro- bhcl2  
1058 CHCl2 dichloromethyl radical chcl2  
1059 CHF2 difluoromethyl radical chf2  
1060 CHF2+ difluoromethyl cation chf2+  
1061 CHFCl Chlorofluoromethyl radical chfcl  
1062 CHFCl+ Chlorofluoromethyl cation chfcl+  
1063 CHCl2+ dichloromethyl cation chcl2+  
1064 HOClO Chlorous acid hoclo  
1065 NHF2 difluoramine nhf2  
1066 NHCl2 dichloroamine nhcl2  
1067 CH2F2 Methane, difluoro- ch2f2  
1068 CH2FCl fluorochloromethane ch2fcl  
1069 SiH2F2 difluorosilane sih2f2  
1070 CH2Cl2 Methylene chloride ch2cl2  
1071 CH2BrF Methane, bromofluoro- ch2fbr  
1072 SiH2Cl2 dichlorosilane sih2cl2  
1073 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1074 CH2CHF Ethene, fluoro- ch2chf  
1075 CH2CHF+ fluoroethene cation ch2chf+  
1076 C2H3Cl Ethene, chloro- ch2chcl  
1077 C2H3Br vinyl bromide c2h3br  
1078 CH2FOH fluoromethanol ch2foh  
1079 CH3OCl methyl hypochlorite ch3ocl  
1080 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1081 CHClCH3 1-chloroethyl radical chclch3  
1082 C2H5F fluoroethane c2h5f  
1083 CH3CH2Cl Ethyl chloride c2h5cl  
1084 CH3SiFH2 fluoromethylsilane ch3sifh2  
1085 KrF2 Krypton difluoride krf2  
1086 B4H10 Tetraborane(10) b4h10  
1087 C4 Carbon tetramer c4  
1088 C4+ Carbon tetramer cation c4+  
1089 C4H2 Diacetylene c4h2  
1090 C4H2+ diacetlyene cation c4h2+  
1091 C2H3CCH 1-Buten-3-yne c2h3cch  
1092 C4H4 cyclobutadiene cbd  
1093 C4H4 Tetrahedrane c4h4  
1094 H2CCCCH2 Butatriene h2cccch2  
1095 C4H6 1-Methylcyclopropene c3100047  
1096 C4H6 Cyclobutene c822355  
1097 C4H6 Methylenecyclopropane c6142730  
1098 CH2CCHCH3 1,2-Butadiene butad12  
1099 CH2CHCHCH2 1,3-Butadiene c106990  
1100 CH3CCCH3 2-Butyne c503173  
1101 CHCCH2CH3 1-Butyne c107006  
1102 CH3CHCHCH2 methylallyl radical c4h7  
1103 C4H8 methylcyclopropane mcp  
1104 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1105 CH2CHCH2CH3 1-Butene bute1  
1106 CH3CHCHCH3 2-Butene, (E)- bute2e  
1107 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1108 B(CH3)3 trimethylborane bme3  
1109 Al(CH3)3 trimethyl aluminum tma  
1110 C(CH3)3 Tert-butyl radical tbutyl  
1111 CH2CH(CH3)2 Isobutyl radical isobutyl  
1112 CH3CHCH2CH3 2-Butyl radical butyl2  
1113 CH3CH(CH3)CH3 Isobutane isobutane  
1114 CH3CH2CH2CH3 Butane butane  
1115 SiH(CH3)3 trimethylsilane trimsi  
1116 Li3N trilithium nitride li3n  
1117 C2N2 Cyanogen c2n2  
1118 C2N2+ Cyanogen cation c2n2+  
1119 P4 Phosphorus tetramer p4  
1120 HCCCN Cyanoacetylene hcccn  
1121 HCCCN+ Cyanoacetylene cation hcccn+  
1122 H2CNCN cyanamide, methylene ch2ncn  
1123 HNCCNH Ethenediimine hnccnh  
1124 C3H3N acrylonitrile ch2chcn  
1125 C3H3N+ acrylonitrile cation ch2chcn+  
1126 CH3N3 methyl azide ch3n3  
1127 NH2CCNH2 Diaminoacetylene daa  
1128 NH2CH2CN Aminoacetonitrile aan  
1129 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1130 C2H5CN ethyl cyanide c2h5cn  
1131 CH5N3 Guanidine guanidine  
1132 C4H6 Bicyclo[1.1.0]butane c157335  
1133 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1134 H2NCHCHNH2 diaminoethylene dae  
1135 CH6N3+ guanidinium ch6n3+  
1136 C3H7N Cyclopropylamine cpram  
1137 CH7N3 triaminomethane tam  
1138 C3H7N Azetidine azet  
1139 C4H8 cyclobutane cbutane  
1140 C2H8N2 Ethylenediamine ethdiam  
1141 CH3NHNHCH3 dimethyl hydrazine dmh  
1142 CH3CH(NH2)CH3 2-Propanamine pram2  
1143 N(CH3)3 Trimethylamine trimeam  
1144 NH2CH2CH2CH3 1-Propanamine pram1  
1145 P(CH3)3 trimethylphosphine tmp  
1146 N(SiH3)3 trisilylamine tsa  
1147 As(CH3)3 trimethyl arsine tmas  
1148 (CH3)3NH+ protonated trimethyl amine ptma  
1149 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1150 Li2O2 dilithium dioxide li2o2  
1151 Na2O2 disodium dioxide na2o2  
1152 K2O2 dipotassium dioxide k2o2  
1153 C3O Tricarbon monoxide c3o  
1154 B2O2 Diboron dioxide b2o2  
1155 ONNO NO dimer onno  
1156 S2N2 Disulfur dinitride s2n2  
1157 CO3 Carbon trioxide co3  
1158 CO3-- carbonate co3--  
1159 CS3-- Carbonotrithioate cs3--  
1160 NO3 Nitrogen trioxide no3  
1161 NO3- nitrate anion no3-  
1162 NO3+ nitrogen trioxide cation no3+  
1163 SO3 Sulfur trioxide so3  
1164 SO3- Sulfur trioxide anion so3-  
1165 SO3-- Sulfate dianion so3--  
1166 SO3+ Sulfur trioxide cation so3+  
1167 SeO3 selenium trioxide seo3  
1168 S4 Sulfur tetramer s4  
1169 HCO3- bicarbonate anion hco3-  
1170 HNO3 Nitric acid hno3  
1171 HSO3 Hydroxysulfonyl radical hso3  
1172 NH2NO2 nitramide nh2no2  
1173 C2H2CO cyclopropenone c2h2co  
1174 C3H2O Propadienal c3h2o  
1175 HCCCHO 2-propynal hcccho  
1176 C2H2O2 Ethanedial c2h2o2  
1177 C2H2O2+ Ethanedial cation c2h2o2+  
1178 H2CO3 Carbonic acid h2co3  
1179 H2CS3 thiocarbonic acid h2cs3  
1180 H2NO3+ Nitric Acid, Protonated h2no3+  
1181 H2SO3 Sulfurous acid h2so3  
1182 C2H3NO Nitrosoethylene c2h3no  
1183 CH3NCO methylisocyante ch3nco  
1184 HOCH2CN cyanomethanol hoch2cn  
1185 CH3COO- acetate anion ch3coo-  
1186 CH3NO2 Methane, nitro- ch3no2  
1187 CH3ONO Methyl nitrite ch3ono  
1188 NH2COOH Carbamic acid nh2cooh  
1189 H3BO3 Boric acid h3bo3  
1190 H3AlO3 Aluminum hydroxide h3alo3  
1191 H3CO3+ carbonic acid, protonated h3co3+  
1192 C3H4O 2-Propyn-1-ol c107197  
1193 C3H4O allenol c9000071  
1194 C3H4O Cyclopropanone cpone  
1195 C3H4O Methylketene c6004440  
1196 CH2CHCHO Acrolein c3h4o  
1197 NH2CONH2 Urea urea  
1198 NH2CONH2+ Urea cation urea+  
1199 NH2CSNH2 Thiourea thiourea  
1200 C2H4O2 1,3-dioxetane c2h4o2  
1201 CH3COOH Acetic acid ch3cooh  
1202 CH3OCHO methyl formate ch3ocho  
1203 CHOCH2OH hydroxy acetaldehyde haa  
1204 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1205 NH3COOH+ protonated Carbamic acid nh3cooh+  
1206 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1207 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1208 HCOOHH2O Formic acid water dimer hcoohh2o  
1209 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1210 CH3COCH2 Acetonyl radical ch3coch2  
1211 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1212 CH3C(OH)=NH Ethaninidic acid eia  
1213 CH3CHNOH Acetaldoxime acetaldoxime  
1214 CH3CONH2 Acetamide acetamide  
1215 HCONHCH3 N-methylformamide nmfa  
1216 CH3CSNH2 Ethanethioamide ch3csnh2  
1217 CH5N2O+ urea, N-protonated ch4n2o+  
1218 H2NCOHNH2+ urea, protonated ureah+  
1219 C2H5OO ethylperoxy radical c2h5oo  
1220 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1221 C3H5OH Cyclopropanol cproh  
1222 C3H6O 2-Propen-1-ol c107186  
1223 C3H6O Acetone enol enol  
1224 C3H6O Oxetane oxetane  
1225 C3H6O Propylene oxide prox  
1226 CH3CH2CHO Propanal propanal  
1227 CH3COCH3 Acetone acetone  
1228 CH3COCH3- acetone anion ch3coch3-  
1229 C3H6S Thietane thietane  
1230 C3H6S Thiirane, methyl- methiirane  
1231 CH3CSCH3 Thioacetone ch3csch3  
1232 C2H6O2 1,2-Ethanediol ethdiol  
1233 CH3OOCH3 dimethylperoxide dmp  
1234 CH3SOCH3 Dimethyl sulfoxide dmso  
1235 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1236 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1237 CH3COHCH3+ acetone, protonated acetoneh+  
1238 HOCH2CH2NH2 monoethanolamine mea  
1239 C3H7OH 1-Propanol proh  
1240 CH3CHOHCH3 Isopropyl alcohol isoproh  
1241 CH3OC2H5 Ethane, methoxy- etome  
1242 C3H7SH 1-Propanethiol prsh  
1243 CH3CHSHCH3 2-Propanethiol isoprsh  
1244 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1245 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1246 Li2F2 Lithium fluoride dimer li2f2  
1247 Na2F2 Sodium Fluoride Dimer na2f2  
1248 Na2Cl2 Disodium dichloride na2cl2  
1249 C2F2 difluoroacetylene c2f2  
1250 C2Cl2 dichloroacetylene c2cl2  
1251 C2Cl2+ dichloroacetylene cation c2cl2+  
1252 FNO2 Nitryl fluoride fno2  
1253 FONO Nitrosyl hypofluorite fono  
1254 ClNO2 Nitryl chloride clno2  
1255 ClONO chlorine nitrite clono  
1256 BrONO Bromine nitrite brono  
1257 N2F2 (Z)-Difluorodiazene n2f2_z  
1258 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1259 CF2O Carbonic difluoride f2co  
1260 CF2O+ Carbonic difluoride cation f2co+  
1261 COFCl Carbonic chloride fluoride cofcl  
1262 CCl2O Phosgene cl2co  
1263 Cl2CS Thiophosgene cl2cs  
1264 COBr2 Carbonic dibromide cobr2  
1265 BF3 Borane, trifluoro- bf3  
1266 BF3- Borane, trifluoro- anion bf3-  
1267 BF3+ boron trifluoride cation bf3+  
1268 AlF3 Aluminum trifluoride alf3  
1269 BClF2 Chlorodifluoroborane bclf2  
1270 AlF2Cl Aluminum chloride difluoride alclf2  
1271 ScF3 Scandium trifluoride ScF3  
1272 AlFCl2 Aluminum dichloride fluoride alcl2f  
1273 BCl3 Borane, trichloro- bcl3  
1274 BCl3+ Boron Trichloride cation bcl3+  
1275 AlCl3 Aluminum trichloride alcl3  
1276 BBr3 Boron tribromide bbr3  
1277 AlBr3 Aluminum Bromide albr3  
1278 ClO3 Chlorine trioxide clo3  
1279 ClO3- chlorate anion clo3-  
1280 BrO3- Bromate anion bro3-  
1281 CF3 Trifluoromethyl radical cf3  
1282 CF3- Trifluoromethyl anion cf3-  
1283 CF3+ Trifluoromethyl cation cf3+  
1284 CF2Cl difluorochloromethyl radical cf2cl  
1285 SiF3 Silicon trifluoride radical sif3  
1286 SiF3+ Silicon trifluoride cation sif3+  
1287 CFCl2 dichlorofluoromethyl radical cfcl2  
1288 CCl3 Trichloromethyl radical ccl3  
1289 CCl3- Trichloromethyl anion ccl3-  
1290 CCl3+ Trichloromethyl cation ccl3+  
1291 SiCl3 trichlorosilyl radical sicl3  
1292 SiCl3+ trichlorosilyl cation sicl3+  
1293 FOOF Perfluoroperoxide foof  
1294 ClO2F Chloryl fluoride clo2f  
1295 F2SO Thionyl Fluoride f2so  
1296 ClOOCl Dichlorine dioxide cloocl  
1297 FSSF Difluorodisulfane fssf  
1298 S2F2 Thio-thionyl fluoride s2f2  
1299 SOCl2 thionyl chloride socl2  
1300 SSCl2 Thiothionyl chloride sscl2  
1301 SeOCl2 selenium oxychloride seocl2  
1302 NF3 Nitrogen trifluoride nf3  
1303 NF3- Nitrogen trifluoride anion nf3-  
1304 NF3+ Nitrogen trifluoride cation nf3+  
1305 PF3 Phosphorus trifluoride pf3  
1306 NCl3 nitrogen trichloride ncl3  
1307 AsF3 Arsenic trifluoride asf3  
1308 PCl3 Phosphorus trichloride pcl3  
1309 AsCl3 Arsenous trichloride ascl3  
1310 NBr3 Nitrogen Tribromide nbr3  
1311 PBr3 Phosphorus tribromide pbr3  
1312 AsBr3 Arsenic tribromide asbr3  
1313 ClSSCl Disulfur dichloride s2cl2  
1314 SF3 Sulfur trifluoride sf3  
1315 ClF3 Chlorine trifluoride clf3  
1316 BrF3 Bromine trifluoride brf3  
1317 HClO3 Chloric Acid hclo3  
1318 CHF3 Methane, trifluoro- chf3  
1319 CHF2Cl difluorochloromethane chf2cl  
1320 SiHF3 trifluorosilane sihf3  
1321 CHFCl2 fluorodichloromethane chfcl2  
1322 CDCl3 trichloromethane-d cdcl3  
1323 CHCl3 Chloroform chcl3  
1324 SiHCl3 Trichlorosilane sihcl3  
1325 CHFClBr fluorochlorobromomethane chfclbr  
1326 CHBrCl2 Methane, bromodichloro- chbrcl2  
1327 CHBr2F dibromofluoromethane chbr2f  
1328 CHCl2I dichloroiodomethane chcl2i  
1329 CHClBr2 Methane, dibromochloro- chclbr2  
1330 CHBr3 bromoform chbr3  
1331 CHI3 Iodoform chi3  
1332 NF3H+ protonated nitrogen trifluoride nf3h+  
1333 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1334 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1335 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1336 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1337 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1338 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1339 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1340 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1341 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1342 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1343 C2H2Br2 1,1-dibromoethene c2h2br2  
1344 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1345 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1346 CH2FCHO Fluoroacetaldehyde ch2fcho  
1347 CH3COF Acetyl fluoride ch3cof  
1348 CH2ClCHO chloroacetaldehyde ch2clcho  
1349 CH3COCl Acetyl Chloride ch3cocl  
1350 C2H4F2 1,2-difluoroethane c2h4f2  
1351 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1352 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1353 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1354 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1355 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1356 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1357 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1358 CH2CFCH3 2-fluoropropene 2fpro  
1359 CH2CHCH2F Allyl Fluoride allylf  
1360 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1361 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1362 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1363 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1364 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1365 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1366 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1367 CH2FCH2CH3 1-Fluoropropane prf1  
1368 CH3CHFCH3 2-Fluoropropane prf2  
1369 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1370 CH3CHClCH3 Propane, 2-chloro- prcl2  
1371 CH3CH2CH2Br n-propyl bromide prbr  
1372 CH3CHBrCH3 i-propyl bromide iprbr  
1373 C3H9O+ trimethyl oxonium cation c3h9o+  
1374 B5H9 pentaborane9 b5h9  
1375 C5H4 pentatetraene ptrene  
1376 C5H5 cyclopentadienyl radical c5h5  
1377 C5H5- cylopentadienyl anion c5h5-  
1378 C5H6 1,3-Cyclopentadiene c542927  
1379 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1380 C5H6 3-Penten-1-yne, (E)- c2004695  
1381 C5H6 3-Penten-1-yne, (Z)- c1574409  
1382 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1383 C5H6 Cyclopropylacetylene c6746947  
1384 C5H6 Propellane propellane  
1385 C5H7 1,3-pentadienyl radical pdyl  
1386 C5H7 cyclopentenyl radical cpyl  
1387 C5H8 1,2-Butadiene, 3-methyl- c598254  
1388 C5H8 1,2-Pentadiene c591957  
1389 C5H8 1,3-Butadiene, 2-methyl- c78795  
1390 C5H8 1,3-Pentadiene, (E)- c2004708  
1391 C5H8 1,3-Pentadiene, (Z)- c1574410  
1392 C5H8 1,4-Pentadiene c591935  
1393 C5H8 1-pentyne a1pentyne  
1394 C5H8 2,3-Pentadiene c591968  
1395 C5H8 Bicyclo[1.1.1]pentane bcp  
1396 C5H8 Cyclobutane, methylene- c1120565  
1397 C5H8 Cyclopentene c142290  
1398 C5H8 Ethenylcyclopropane c693867  
1399 CH3CCCH2CH3 2-Pentyne 2pentyne  
1400 C5H10 1-Butene, 2-methyl- c563462  
1401 C5H10 2-Butene, 2-methyl- c513359  
1402 C5H10 2-Pentene, (E)- c646048  
1403 C5H10 2-Pentene, (Z)- c627203  
1404 C5H10 Cyclopentane c287923  
1405 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1406 CH2CHCH2CH2CH3 1-pentene pentene  
1407 C5H11 2-Methylbut-2-yl radical c4348350  
1408 C5H12 Butane, 2-methyl- buta2  
1409 C5H12 Pentane pentane  
1410 C5H12 Propane, 2,2-dimethyl- neopentane  
1411 Si(CH3)4 tetramethylsilane tms  
1412 N2O3 Dinitrogen trioxide n2o3  
1413 C3H2N2 Malononitrile c3h2n2  
1414 CH2N4 1H-Tetrazole 1htz  
1415 C3H3N2 imidazolyl radical im  
1416 C3H3N2- imidizolyl anion im-  
1417 C2H3N3 1H-1,2,4-Triazole c288880  
1418 C4H4N pyrrolide radical c4h4n  
1419 C4H4N- pyrrolide anion c4h4n-  
1420 C3H4N2 1H-Imidazole 1himidaz  
1421 C3H4N2 1H-Pyrazole 1hpyraz  
1422 C3H4N2 2H-Imidazole imid2h  
1423 C3H4N2 4H-Imidazole imid4h  
1424 C4H5N (E)-2-Butenenitrile c627269  
1425 C4H5N (Z)-2-Butenenitrile c1190767  
1426 C4H5N 2H-pyrrole pyrrole2  
1427 C4H5N 3H-pyrrole pyrrole3  
1428 C4H5N Cyclopropanecarbonitrile c5500210  
1429 C4H5N Pyrrole pyrrole  
1430 CH2CHCH2CN Allylcyanide ch2chch2cn  
1431 C4H6N+ pyrrole, alpha-protonated appyr  
1432 C4H6N+ pyrrole, beta-protonated bppyr  
1433 C4H6N+ pyrrole, protonated ppyr  
1434 C3H6N2 3-Aminopropionitrile c151188  
1435 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1436 CH3CH2CH2CN Butanenitrile c109740  
1437 C5H8 Bicyclo[2.1.0]pentane c185944  
1438 C5H8 Spiropentane c157404  
1439 C4H9N Cyclobutylamine cbam  
1440 C4H9N Pyrrolidine pyrrolidine  
1441 C3H10N2 1,2-Diaminopropane diampr12  
1442 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1443 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1444 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1445 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1446 NH(C2H5)2 diethylamine dea  
1447 NC4H12+ tetramethyl ammonium cation nc4h12+  
1448 C3O2 Carbon suboxide c3o2  
1449 C3O2+ Carbon suboxide cation c3o2+  
1450 B2O3 diboron trioxide b2o3  
1451 MgCO3 Magnesium Carbonate mgco3  
1452 BeCO3 Beryllium Carbonate beco3  
1453 CaCO3 Calcium Carbonate caco3  
1454 ONONO Nitrosyl nitrite onono  
1455 PO4--- phosphate po4---  
1456 SO4-- sulfate so4--  
1457 HOONO2 peroxy nitric acid hoono2  
1458 HSO4- bisulfate anion hso4-  
1459 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1460 C3H2O2 Propiolic acid c3h2o2  
1461 CHOCOOH oxo acetic acid oaa  
1462 CHOOCHO diformyl ether choocho  
1463 H2SO4 Sulfuric acid h2so4  
1464 H2SeO4 Selenic acid h2seo4  
1465 C3H3NO Isoxazole isox  
1466 C3H3NO Oxazole oxazole  
1467 C3H3NS Thiazole thiazole  
1468 CH3C(O)OO acetyl peroxy radical ch3coo2  
1469 CH3NO3 Methyl nitrate ch3no3  
1470 H3PO4 Phosphoric Acid h3po4  
1471 C4H4O Furan furan  
1472 C4H4O+ Furan cation furan+  
1473 CH3COCCH 3-butyn-2-one c1423605  
1474 C4H4S Thiophene furans  
1475 C4H4Se selenophene c4h4se  
1476 C3H4O2 β–Propiolactone beta  
1477 C3H4O2 2-Propenoic acid propenoic2  
1478 C3H4O2 Methyl glyoxal megly  
1479 C3H4O2 propanedial propanedial  
1480 C3H4O2 propenalol propenalol  
1481 HOCHCCHOH allenediol aldiol  
1482 C2H4O3 1,2,3-trioxolane c2h4o3  
1483 C2H4O3 trioxolane124 triox  
1484 HOCH2COOH Hydroxyacetic acid hac  
1485 CH2CHCONH2 Acrylamide c79061  
1486 CH3OCH2CN Methoxyacetonitrile c1738369  
1487 CH5N3S Hydrazinecarbothioamide c79196  
1488 H2NCH2COOH Glycine glycine  
1489 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1490 C4H6O cis-2-butenal butenal2c  
1491 C4H6O Cyclobutanone cbutone  
1492 C4H6O Furan, 2,3-dihydro- furan23h  
1493 C4H6O Furan, 2,5-dihydro- furan25h  
1494 CH2CHOCHCH2 Vinyl ether vinylether  
1495 CHOCHCHCH3 2-Butenal butenal2  
1496 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1497 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1498 CH2CHSCHCH2 Divinyl sulfide divis  
1499 C2H6N2O Urea, methyl- c598505  
1500 C3H6O2 1,3-Dioxolane dioxolane  
1501 CH3CH2COOH Propanoic Acid propanoic  
1502 CH3COOCH3 methyl acetate aame  
1503 HCOOC2H5 Ethyl formate faee  
1504 C2H6O2S Dimethyl sulfone c67710  
1505 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1506 C3H7NO dimethylformamide dmf  
1507 C3H7NO Propanamide propanam  
1508 C2H3OC2H5 Ethene, ethoxy- c109922  
1509 C4H8O Cyclobutanol c2919235  
1510 C4H8O Furan, tetrahydro- thf  
1511 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1512 CH3COCH2CH3 2-Butanone buta2one  
1513 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1514 CHOCH2CH2CH3 Butanal butanal  
1515 C4H8S Thiophene, tetrahydro- tht  
1516 C3H8O2 1,3-Propanediol c504632  
1517 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1518 C3H8O2 Methane, dimethoxy- c109875  
1519 C3H8O2 Propylene glycol c57556  
1520 C3H8S2 1,3-Propanedithiol c109808  
1521 C4H10O 1-Butanol butanol1  
1522 C4H10O 1-Propanol, 2-methyl- c78831  
1523 C4H10O 2-Butanol, (.+/-.)- butanol2  
1524 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1525 C4H10O Ethoxy ethane etoet  
1526 C4H10O Methyl propyl ether meopr  
1527 C4H10O Propane, 2-methoxy- c598538  
1528 C4H10O+ 1-Butanol cation butanol1+  
1529 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1530 C2H5SC2H5 Diethyl sulfide etset  
1531 C4H9SH 1-Butanethiol bush  
1532 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1533 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1534 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1535 FNO3 Fluorine nitrate fno3  
1536 ClONO2 Chlorine nitrate clono2  
1537 BrONO2 Bromine nitrate brono2  
1538 TiCl4 Titanium tetrachloride ticl4  
1539 ClO4- perchlorate anion clo4-  
1540 BF4- tetrafluoroboron anion bf4-  
1541 ClFO3 Perchloryl fluoride clfo3  
1542 SO2F2 Sulfuryl fluoride so2f2  
1543 SO2Cl2 Sulfuryl chloride so2cl2  
1544 F3NO Nitrogen trifluoride oxide f3no  
1545 F3PO Phosphoryl fluoride pf3o  
1546 Cl3PO Phosphoryl chloride pcl3o  
1547 CF4 Carbon tetrafluoride cf4  
1548 CF3Cl Methane, chlorotrifluoro- cf3cl  
1549 SiF4 Silicon tetrafluoride sif4  
1550 CF2Cl2 difluorodichloromethane cf2cl2  
1551 TiF4 Titanium tetrafluoride tif4  
1552 CFCl3 Trichloromonofluoromethane cfcl3  
1553 CCl4 Carbon tetrachloride ccl4  
1554 CCl4+ Carbon tetrachloride cation ccl4+  
1555 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1556 SiCl4 Silane, tetrachloro- sicl4  
1557 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1558 CF3I trifluoroiodomethane cf3i  
1559 CBrCl3 Methane, bromotrichloro- cbrcl3  
1560 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1561 GeCl4 Germanium Tetrachloride gecl4  
1562 CBr2Cl2 dibromodichloromethane cbr2cl2  
1563 CFBr3 fluorotribromomethane cfbr3  
1564 CBr3Cl tribromochloromethane cbr3cl  
1565 SiBr4 Silicon tetrabromide sibr4  
1566 CBr3I tribromoiododmethane cbr3i  
1567 GeBr4 Germanium tetrabromide gebr4  
1568 ClOF3 Chlorine trifluoride oxide clof3  
1569 SF4 Sulfur tetrafluoride sf4  
1570 SeF4 Selenium tetrafluoride sef4  
1571 SCl4 Sulfur tetrachloride scl4  
1572 C2HF3 Trifluoroethylene c2hf3  
1573 C2HF3+ Trifluoroethylene cation c2hf3+  
1574 CHClCCl2 Trichloroethylene chclccl2  
1575 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1576 HClO4 perchloric acid hclo4  
1577 HSO3F Fluorosulfonic acid hso3f  
1578 CF3OH trifluoromethanol cf3oh  
1579 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1580 CHClCCHCl 1,3-dichloroallene chclcchcl  
1581 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1582 CHCl2CHO dichloroacetaldehyde chcl2cho  
1583 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1584 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1585 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1586 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1587 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1588 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1589 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1590 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1591 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1592 NH3BCl3 Amminetrichloroboron nh3bcl3  
1593 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1594 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1595 C3H5ClO Oxirane, (chloromethyl)- c106898  
1596 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1597 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1598 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1599 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1600 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1601 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1602 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1603 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1604 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1605 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1606 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1607 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1608 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1609 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1610 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1611 C4H9F 1-fluorobutane butaf1  
1612 CH3CHFCH2CH3 2-fluorobutane butaf2  
1613 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1614 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1615 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1616 C2H2N2O Furazan furazan  
1617 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1618 NH3BF3 Amminetrifluoroboron nh3bf3  
1619 C6H2 hexatriyne c6h2  
1620 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1621 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1622 C6H4 Benzyne benzyne  
1623 C6H5 phenyl phenyl  
1624 C6H5- phenyl anion phenyl-  
1625 C6H6 Prismane prismane  
1626 C6H6 1,2,4,5-Hexatetraene ht1245  
1627 C6H6 2,4-Hexadiyne hexadiyne  
1628 C6H6 3,4-Dimethylenecyclobutene cb34m  
1629 C6H6 Benzene benzene  
1630 C6H6 Benzvalene bv  
1631 C6H6 Dewar Benzene dewar  
1632 C6H6 Hexa-1,5-diene-3-yne hdy153  
1633 C6H6 Trimethylenecycopropane tmcp  
1634 C6H6+ Benzene cation c6h6+  
1635 C6H7+ benzene, protonated c6h7+  
1636 C6H8 (E)-hexa-1,3,5-triene c821078  
1637 C6H8 (E)-hexa-2,3,4-triene c59660650  
1638 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1639 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1640 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1641 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1642 C6H8 3-Methylenecyclopentene c930267  
1643 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1644 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1645 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1646 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1647 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1648 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1649 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1650 C6H10 1,5-Hexadiene c592427  
1651 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1652 C6H10 1-Hexyne hexyne1  
1653 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1654 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1655 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1656 C6H10 2-Hexyne c764352  
1657 C6H10 3-Hexyne hexyne3  
1658 C6H10 cyclohexene cyclohexene  
1659 C6H10 Cyclopentene, 1-methyl- c693890  
1660 C6H10 Cyclopentene, 3-methyl- c1120623  
1661 C6H10 Cyclopentene, 4-methyl- c1759815  
1662 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1663 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1664 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1665 C6H12 (E)-2-Hexene e2hexene  
1666 C6H12 (E)-3-methylpent-2-ene c616126  
1667 C6H12 (E)-hex-3-ene e3hexene  
1668 C6H12 (Z)-3-methylpent-2-ene c922623  
1669 C6H12 (Z)-hex-2-ene z2hexene  
1670 C6H12 (Z)-hex-3-ene z3hexene  
1671 C6H12 2,3-dimethylbut-1-ene c563780  
1672 C6H12 2,3-dimethyl-but-2-ene tmeet  
1673 C6H12 3-methylenepentane c760214  
1674 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1675 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1676 C6H12 Cyclohexane cyclohexane  
1677 C6H12 Cyclopentane, methyl- c96377  
1678 C6H12 Ethylcyclobutane c4806615  
1679 C6H12 hex-1-ene hexene1  
1680 C6H14 Butane, 2,2-dimethyl- buta22  
1681 C6H14 Butane, 2,3-dimethyl- buta23  
1682 C6H14 Hexane hexane  
1683 C6H14 Pentane, 2-methyl- penta2  
1684 C6H14 Pentane, 3-methyl- penta3  
1685 C4N2 2-Butynedinitrile c4n2  
1686 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1687 C4H2N2 Fumaronitrile c4h2n2  
1688 C2H2N4 sym-tetrazine ttz  
1689 C3H3N3 1,3,5-Triazine triazine135  
1690 CH3N5 5-Aminotetrazole c4418615  
1691 C4H4N2 1,3-Diazine diazine13  
1692 C4H4N2 Pyrazine pyrazine  
1693 C4H4N2 Pyridazine pyridazine  
1694 C4H4N2 Succinonitrile c110612  
1695 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1696 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1697 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1698 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1699 C5H5N E-2,4-pentadienenitrile bdcn  
1700 C5H5N Pyridine pyridine  
1701 B3N3H6 borazine borazine  
1702 C6H6 Fulvene fulvene  
1703 C5H6N+ Pyridinium c5h6n  
1704 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1705 C5H7N (E)-2-Pentenenitrile c26294984  
1706 C5H7N (E)-3-Pentenenitrile c16529661  
1707 C5H7N (Z)-2-Pentenenitrile c25899507  
1708 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1709 C5H7N Cyclobutanecarbonitrile c4426113  
1710 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1711 C5H9N Butanenitrile, 2-methyl- c18936179  
1712 C5H9N Pentanenitrile c110598  
1713 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1714 C6H10 Bicyclo[3.1.0]hexane c285585  
1715 C5H11N Cyclopentanamine cypentam  
1716 C5H11N Piperidine piper  
1717 C4H12N2 1,2-Butanediamine c4426486  
1718 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1719 Li2CO3 Lithium Carbonate li2co3  
1720 Na2CO3 Sodium Carbonate na2co3  
1721 C2O4-- oxalate anion c2o4  
1722 MgSO4 Magnesium Sulfate mgso4  
1723 N2O4 Dinitrogen tetroxide n2o4  
1724 C3H2O3 vinylene carbonate vica  
1725 C2H2O4 Oxalic Acid oxalic  
1726 C2H3NO3 Oxamic acid oxamic  
1727 C4H4O2 2(5H)-Furanone furanone  
1728 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1729 C2H4N2O2 Oxalamide oxalamide  
1730 C2H4N2S2 Ethanedithioamide c79403  
1731 C2H4CO3 Ethylene carbonate etco3  
1732 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1733 C3H4S3 1,3-Dithiolane-2-thione c822388  
1734 C2H4O4 Formic acid dimer fadimer  
1735 C4H5NO 3-Methylisoxazole isox3m  
1736 C4H5NO Isoxazole, 5-methyl- c5765446  
1737 C4H5NS 4-Methylthiazole c693958  
1738 C2H5NO3 Nitric acid, ethyl ester c625581  
1739 C5H6O 2H-Pyran pyran2  
1740 C5H6O 2-methylfuran furan2m  
1741 C5H6O 3-Methylfuran furan3m  
1742 C5H6O Pentadienal pdal  
1743 C5H6S Thiophene, 2-methyl- c554143  
1744 C5H6S Thiophene, 3-methyl- c616444  
1745 C4H6O2 γ–Butyrolactone c96480  
1746 C4H6O2 2,3-Butanedione c431038  
1747 C4H6O2 2-Propenoic acid, methyl ester c96333  
1748 C4H6O2 Crotonic Acid crot  
1749 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1750 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1751 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1752 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1753 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1754 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1755 C4H6OS Vinyl sulfoxide c1115157  
1756 CH6N4S Carbonothioic dihydrazide thiacarb  
1757 C2H6N2O2 (E)-Azodioxymethane c37765154  
1758 C2H6N2O2 Dimethylnitroamine c4164287  
1759 C3H6O3 1,3,5-Trioxane trioxane  
1760 C3H6S3 1,3,5-Trithiane c3h6s3  
1761 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1762 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1763 C4H7NO 2-Pyrrolidinone c616455  
1764 C4H7NO Ethoxyacetonitrile etoaccn  
1765 C4H7NO Methacrylamide c79390  
1766 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1767 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1768 C3H7ONO Propyl nitrite prono  
1769 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1770 CH3CH(NH2)COOH Alanine alanine  
1771 CH3NHCH2COOH Sarcosine sarcosine  
1772 NH2CH2CH2COOH β–alanine betaalanine  
1773 NH2COOC2H5 Urethane urethane  
1774 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1775 C5H8O Cyclopentanone c120923  
1776 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1777 C5H8O Methyl cyclopropyl ketone c765435  
1778 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1779 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1780 NH2CONHC2H5 Urea, ethyl- c625525  
1781 C4H8O2 1,3-Dioxane dioxan13  
1782 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1783 C4H8O2 1,4-Dioxane dioxan14  
1784 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1785 C4H8O2 Ethyl acetate c141786  
1786 C4H8OS s-Ethyl thioacetate c625605  
1787 C3H8O3 1,2,3-Propanetriol glycerin  
1788 C3H8O2S (Methylsulfonyl)ethane c594434  
1789 C4H9NO Butanamide c541355  
1790 C4H9NO Propanamide, 2-methyl- c563837  
1791 C5H10O 2-Butanone, 3-methyl- c563804  
1792 C5H10O 2H-Pyran, tetrahydro- c142687  
1793 C5H10O 2-methylbutyraldehyde 2meba  
1794 C5H10O 2-Pentanone mpk  
1795 C5H10O 3-Pentanone dek  
1796 C5H10O Cyclopentanol c96413  
1797 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1798 C5H10O Pentanal pal  
1799 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1800 C5H10S 3-Ethylthio-1-propene c5296628  
1801 C5H10S Cyclopentanethiol c1679078  
1802 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1803 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1804 C4H10O2 1,1-Dimethoxyethane c534156  
1805 C4H10O2 1,3-Butanediol budiol13  
1806 C4H10O2 1,4-Butanediol budiol14  
1807 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1808 C4H10OS Diethyl sulfoxide c70291  
1809 C4H10S2 1,4-Butanedithiol budisl14  
1810 C4H11NO Diethylhydroxylamine c3710847  
1811 C5H12O 1-Butanol, 2-methyl- c137326  
1812 C5H12O 1-Butanol, 3-methyl- c123513  
1813 C5H12O 1-Pentanol pentanol1  
1814 C5H12O 2-Butanol, 3-methyl- c598754  
1815 C5H12O 2-Pentanol peol2  
1816 C5H12O 3-Pentanol pentan3ol  
1817 C5H12O Butane, 1-methoxy- meobu  
1818 C5H12O Propane, 1-ethoxy- proet  
1819 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1820 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1821 C5H12S 1-Butanethiol, 3-methyl- c541311  
1822 C5H12S 1-Pentanethiol c110667  
1823 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1824 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1825 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1826 C5H12S Butane, 1-(methylthio)- c628295  
1827 C5H12S Ethyl propyl sulfide c4110503  
1828 C5H12S Propane, 2-(ethylthio)- c5145993  
1829 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1830 C4F2 difluorobutadiyne c4f2  
1831 ClCOClCO Oxalyl chloride oxcl  
1832 CF3CN Acetonitrile, trifluoro- cf3cn  
1833 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1834 B2F4 Diboron tetrafluoride b2f4  
1835 B2Cl4 Diboron tetrachloride b2cl4  
1836 C2F4 Tetrafluoroethylene c2f4  
1837 C2F4+ Tetrafluoroethylene cation c2f4+  
1838 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1839 CF2CCl2 difluorodichloroethylene cf2ccl2  
1840 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1841 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1842 C2FCl3 fluorotrichloroethene c2fcl3  
1843 C2Cl4 Tetrachloroethylene c2cl4  
1844 CF3OF Trifluoromethylhypofluorite cf3of  
1845 SiF5- silicon pentafluoride anion sif5-  
1846 SOF4 Sulfur tetrafluoride oxide sof4  
1847 PF5 Phosphorus pentafluoride pf5  
1848 AsF5 Arsenic pentafluoride asf5  
1849 PCl5 Phosphorus pentachloride pcl5  
1850 SF5 Sulfur pentafluoride sf5  
1851 SF5+ pentafluoro sulfur cation sf5+  
1852 SbCl5 Antimony pentachloride sbcl5  
1853 BrF5 bromine pentafluoride brf5  
1854 ClF5 chlorinepentafluoride clf5  
1855 CF3CHO trifluoroacetaldehyde cf3cho  
1856 CCl3CHO trichloroacetaldehyde ccl3cho  
1857 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1858 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1859 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1860 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1861 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1862 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1863 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1864 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1865 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1866 CF3COOH trifluoroacetic acid cf3cooh  
1867 C4H3ClO Furan, 2-chloro fur2cl  
1868 C4H3ClO Furan,3-chloro fur3cl  
1869 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1870 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1871 C4H8Cl2 1,4-Dichlorobutane c110565  
1872 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1873 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1874 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1875 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1876 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1877 C5H11Cl Pentane, 1-chloro- pencl1  
1878 C4H8O2 Butanoic acid bua  
1879 C6H5CH2 benzyl radical benzyl  
1880 C7H7 cycloheptatrienyl radical c7h7  
1881 C7H7+ cycloheptatrienyl cation c7h7+  
1882 C6H5CH3 toluene toluene  
1883 C7H8 cycloheptatriene cht  
1884 C7H8 Norbornadiene norbor  
1885 C7H8 Quadricyclane qucy  
1886 C7H12 Norbornane nor  
1887 C7H14 cycloheptane c7h14  
1888 C7H16 2-methylhexane 2mhex  
1889 C7H16 3-methylhexane hex3m  
1890 C7H16 heptane heptane  
1891 CH(CN)3 tricyanomethane mecn3  
1892 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1893 C6H7N 2-Methylpyridine mp  
1894 C6H5NH2 aniline aniline  
1895 C6H13N 2-Methylpiperidine pip2m  
1896 C6H13N cyclohexanamine cham  
1897 C6H15N triethylamine tea  
1898 N2O5 Dinitrogen pentoxide n2o5  
1899 C4H2O3 Maleic Anhydride malan  
1900 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1901 C5H4O2 furfural furfural  
1902 C6H5O phenoxy radical phenoxy  
1903 C5H5NO 2(1H)-Pyridinone c72762006  
1904 C5H5NO 2(3H)-Pyridinone c9000048  
1905 C5H5NO 2(5H)-Pyridinone c9000037  
1906 C5H5NO 2-Pyridinol c109104  
1907 C5H5NO 3(2H)-Pyridinone c9000004  
1908 C5H5NO 3(4H)-Pyridinone c9000026  
1909 C5H5NO 3(6H)-Pyridinone c9000015  
1910 C5H5NO 3-Pyridinol c109002  
1911 C5H5NO 4(1H)-Pryidinone c9000060  
1912 C5H5NO 4(3H)-Pryidinone c9000059  
1913 C5H5NO 4-Pyridinol c626642  
1914 C6H5OH phenol phenol  
1915 C6H6O 2,4-Cyclohexadienone c24599573  
1916 C6H6O 2,5-Cyclohexadienone c5664335  
1917 C6H5SH Benzenethiol phsh  
1918 HO2CCHNH2CH2OH Serine serine  
1919 C5H8O2 Acetylacetone acac  
1920 C4H8O2S Sulfolane sulfolane  
1921 C7H10 Norbornene norbornene  
1922 CH(C2H3)3 trivinyl methane tvm  
1923 C6H10O cyclohexanone chexo  
1924 C6H12O hexanal c6h12o  
1925 C6H12O Oxepane oxepane  
1926 C3H7OC3H7 di-n-propyl ether propr  
1927 F2CCCF2 tetrafluoroallene pfa  
1928 CF3COO- trifluoro acetate anion cf3coo-  
1929 CF3COF trifluoroacetyl fluoride cf3cof  
1930 CF3COCl trifluoroacetyl chloride cf3cocl  
1931 PF6 Hexafluorophosphate neutral pf6  
1932 PF6- Hexafluorophosphate ion pf6-  
1933 SF6 Sulfur Hexafluoride sf6  
1934 SeF6 Selenium hexafluoride sef6  
1935 SF5Cl sulfur chloropentafluoride sf5cl  
1936 CF3CHF2 pentafluoroethane cf3chf2  
1937 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1938 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1939 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1940 CCl3CHCl2 pentachloroethane ccl3chcl2  
1941 C6H5F Fluorobenzene bzf  
1942 C6H5Cl chlorobenzene bzcl  
1943 C6H5Br bromobenzene bzbr  
1944 C8H6 Calicene calicene  
1945 C6H5CCH phenylacetylene phac  
1946 C8H6 benzocyclobutadiene bcbd  
1947 C8H6 Pentalene pentalene  
1948 C6H5CHCH2 Styrene styrene  
1949 C8H8 cubane cubane  
1950 C8H8 cyclooctatetraene cot  
1951 C6H5CH2CH3 Ethylbenzene etbz  
1952 CH3C6H4CH3 meta-xylene mxylene  
1953 CH3C6H4CH3 paraxylene pxylene  
1954 C8H14 Bicyclo[2.2.2]octane bico222  
1955 C8H16 cyclooctane cyclooct  
1956 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1957 C8H18 Octane c8h18  
1958 C6H5CN phenyl cyanide phcn  
1959 C6H12N2 Triethylenediamine ted  
1960 C4O4-- squarate dianion c4o4--  
1961 S4N4 Tetrasulfur tetranitride s4n4  
1962 S8 Octasulfur s8  
1963 C6H4O2 parabenzoquinone pbq  
1964 C4H4N2O2 Uracil uracil  
1965 C6H5CHO benzaldehyde benzal  
1966 C6H5OCH3 Anisole anisole  
1967 C5H9NO2 Proline proline  
1968 C6H12O2 Methyl pivalate c598981  
1969 C6H12O2 Hexanoic acid hexa  
1970 C4F4 tetrafluorcyclobutadiene c4f4  
1971 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1972 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1973 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1974 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1975 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1976 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1977 C2F6 hexafluoroethane c2f6  
1978 C2Cl6 hexachloroethane c2cl6  
1979 IF7 Iodine heptafluoride if7  
1980 C6H4F2 metadifluorobenzene mdfb  
1981 C6H4F2 orthodifluorobenzene odfb  
1982 C6H4F2 1,4-difluorobenzene pdfb  
1983 C6H4Cl2 1,2-dichlorobenzene dcb12  
1984 C6H4Cl2 1,3-dichlorobenzene dcb13  
1985 C6H4Cl2 1,4-dichlorobenzene dcb14  
1986 C6H5NO nitrosobenzene bzno  
1987 C9H8 Indene indene  
1988 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1989 C9H12 n-propyl benzene prbz  
1990 C9H20 Nonane nonane  
1991 C(CN)4 tetracyanomethane c5n4  
1992 C5H4N4 purine purine  
1993 C8H7N Indole indole  
1994 C3H3N3O3 cyanuric acid cyanuric  
1995 C6H5NO2 Nitrobenzene c6h5no2  
1996 C6H5COOH benzoic acid benzo  
1997 CH3COC6H5 acetophenone acph  
1998 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1999 C3F6 hexafluoropropene c3f6  
2000 C6H3F3 Benzene trifluoride 123 bzf3a  
2001 C8H18O 1-Octanol octanol  
2002 C10H8 Azulene azu  
2003 C10H8 naphthalene naph  
2004 C10H10 bullvalene bullv  
2005 C10H16 adamantane adamantane  
2006 C6N4 Tetracyanoethylene tcne  
2007 C6N4- tetracyanoethylene anion tcne-  
2008 C10H22 Decane decane  
2009 C4F6 perfluorobutadiene c4f6  
2010 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2011 C3F8 perfluoropropane c3f8  
2012 Fe(CO)5 Iron pentacarbonyl ipc  
2013 Fe(C5H5)2 ferrocene fecp2  
2014 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2015 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2016 C12H8 Acenaphthylene acenaph  
2017 C12H8 biphenylene biph  
2018 C12H10 biphenyl biphenyl  
2019 C12H10 Heptalene heptalene  
2020 C6H12O6 Inositol inositol  
2021 C6F6 hexafluorobenzene c6f6  
2022 S2F10 disulphur decafluoride s2f10  
2023 C13H10 Fluorene fluorene  
2024 C14H10 Anthracene anth  
2025 C14H10 Phenanthrene phenanthrene  
2026 C14H14 Bibenzyl bibenzyl  
2027 C12H10N2 azobenzene azobenzene  
2028 C6H5COC6H5 benzophenone benzophenone  
2029 C16H10 Pyrene pyrene  
2030 C18H12 Tetracene tetracene  
2031 C19H16 Triphenylmethane tpm  
2032 C24H12 Coronene coronene  
2033 C60 Buckminsterfullerene c60