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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 M06-2X /cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 AlH aluminum monohydride 1ΣC∞v
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 PH phosphorus monohydride 1Σ+C∞v
9 PH3 Phosphine 1A1C3v
10 PH4+ phosphonium cation   
11 S Sulfur atom 3PKh
12 HS Mercapto radical 2ΠC∞v
13 H2S Hydrogen sulfide 1A1C2v
14 H2S+ Hydrogen sulfide cation 2B1C2v
15 H3S+ Sulfonium cation 1A1C3v
16 Cl Chlorine atom 2PKh
17 HCl Hydrogen chloride 1ΣC∞v
18 HCl+ hydrogen chloride cation 2ΠC∞v
19 H2Cl+ dihydrogen monochloride cation 1A1C2v
20 BAl Boron Aluminum 3ΣC∞v
21 AlC Aluminum carbide 4ΣC∞v
22 SiC silicon monocarbide 3ΣC∞v
23 SiC silicon monocarbide 1ΣC∞v
24 Si2H6 disilane 1EuD3d
25 AlN Aluminum nitride 3ΠiC∞v
26 SiP Silicon monophosphide 2ΠC∞v
27 P2 Phosphorus diatomic 1ΣgD∞h
28 CH2PH Phosphaethene 1A'Cs
29 BH3PH3 borane phosphine   
30 LiS Lithium monosulfide 2ΠC∞v
31 CaS Calcium sulfide 1ΣC∞v
32 GeO Germanium monoxide 1ΣC∞v
33 SiSe Silicon Monoselenide   
34 PO Phosphorus monoxide 2ΠC∞v
35 PS phosphorus sulfide 2ΣC∞v
36 SO Sulfur monoxide 3ΣC∞v
37 S2 Sulfur diatomic 3ΣgD∞h
38 S2+ sulfur diatomic cation 2ΠD∞h
39 Se2 Selenium diatomic 3ΣgD∞h
40 HSO+ Sulfur Monoxide, S-protonated   
41 SOH Sulfur Hydroxide   
42 SOH+ Sulfur Monoxide, protonated   
43 H2CS Thioformaldehyde 1A1C2v
44 H2CSe Selenoformaldehyde   
45 H2S2 Disulfane 1AC2
46 H2S2+ hydrogen disulfide cation 2BgC2h
47 H2CSH+ Thioformaldehyde, protonated 1A'Cs
48 H2POH Phosphinous acid 1A1'CS trans
49 H2POH Phosphinous acid 1A1'CS cis
50 H3PO Phosphine oxide 1A1C3v
51 CH3SH Methanethiol 1A'Cs
52 CH3SH2+ protonated methylsulfide 1A'Cs
53 LiCl lithium chloride 1ΣC∞v
54 AlCl Aluminum monochloride 1ΣC∞v
55 SiF silicon monofluoride 2ΠC∞v
56 SiF+ silicon monofluoride cation 1ΣC∞v
57 NCl nitrogen monochloride 3ΣC∞v
58 ClO Monochlorine monoxide 2ΠC∞v
59 SF Monosulfur monofluoride 2ΠC∞v
60 SF+ sulfur monofluoride cation 3ΣC∞v
61 SCl sulfur monochloride 2ΠC∞v
62 SCl+ sulfur monochloride cation 3ΣgC∞v
63 SBr Sulfur monobromide radical   
64 ClF Chlorine monofluoride 1Σ+C∞v
65 Cl2- chlorine diatomic anion 2ΣuD∞h
66 Cl2+ chlorine diatomic cation 2ΠgD∞h
67 HOCl hypochlorous acid 1A'Cs
68 CH2Cl chloromethyl radical 2A'Cs
69 CH3Cl Methyl chloride 1A1C3v
70 SiH3Cl chlorosilane 1A1C1
71 Si3H8 trisilane   
72 Li2S dilithium sulfide 1ΣGD∞h
73 Li2S dilithium sulfide 1A1C2v
74 NNS Nitrogen sulfide 1ΣC∞v
75 OCS Carbonyl sulfide 1ΣC∞v
76 SiS2 Silicon disulfide 1ΣGD∞h
77 NSO sulfinyl amidogen   
78 SNO Nitrogen oxide sulfide   
79 SO2 Sulfur dioxide 1A1C2v
80 S3 Sulfur trimer   
81 S3+ Sulfur trimer cation 2B2C2v
82 CH2CS Thioketene   
83 HSSSH trisulfane 1AC2
84 HSSSH trisulfane 1A'Cs
85 C2H4S Thiirane 1A1C2v
86 CH3CHS Thioacetaldehyde 1A'C1
87 CH3SSH Hydrogen methyl disulfide   
88 CH3CH2SH ethanethiol 1A'Cs
89 FNS Thionitrosyl fluoride 1A'Cs
90 FSN Thiazyl fluoride 1A'Cs
91 OPCl Phosphorus oxychloride   
92 GeCl2 Germanium dichloride 1A1C2v
93 OClO Chlorine dioxide 2B1D∞h
94 ClSO Sulfur chloride oxide 2A"Cs
95 FClO chlorosyl fluoride 1A'Cs
96 ClOF Chlorine hypofluorite 1A'Cs
97 SF2 sulfur difluoride 1A1C2v
98 SCl2 Sulfur dichloride 1A1C2v
99 SeCl2 Selenium Dichloride   
100 SBr2 Sulfur dibromide   
101 SeBr2 Selenium dibromide   
102 CH2F2 Methane, difluoro- 1A1C2v
103 CH2Cl2 Methylene chloride 1A1C2v
104 SiH2Cl2 dichlorosilane 1A1C2v
105 S2N2 Disulfur dinitride 1AGD2h
106 CS3-- Carbonotrithioate   
107 SO3 Sulfur trioxide 1A1'D3h
108 S4 Sulfur tetramer   
109 S4 Sulfur tetramer   
110 S4 Sulfur tetramer   
111 H3AlO3 Aluminum hydroxide   
112 CH3CSNH2 Ethanethioamide   
113 Cl2CS Thiophosgene 1A1C2v
114 AlF3 Aluminum trifluoride 1A1'D3h
115 ClO2F Chloryl fluoride 1A'Cs
116 F2SO Thionyl Fluoride 1A'Cs
117 FSSF Difluorodisulfane 1AC2
118 S2F2 Thio-thionyl fluoride 1A'Cs
119 SSCl2 Thiothionyl chloride   
120 SF3 Sulfur trifluoride 2A'Cs
121 ClF3 Chlorine trifluoride 1A1'D3h
122 ClF3 Chlorine trifluoride 1A1C2v
123 HClO3 Chloric Acid 1AC1
124 H2SO4 Sulfuric acid 1AC1
125 C2H6O2S Dimethyl sulfone 1A1C2v
126 CF2Cl2 difluorodichloromethane 1A1C2v
127 SF4 Sulfur tetrafluoride 1A1C2v
128 HClO4 perchloric acid 1ACs
129 SiH3CCl3 (trichloromethyl)silane 1A1C3v
130 SiF5- silicon pentafluoride anion   
131 SOF4 Sulfur tetrafluoride oxide 1A1C2v
132 PF5 Phosphorus pentafluoride 1A1'D3h
133 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
134 PF6- Hexafluorophosphate ion 1A1GOh
135 SF5Cl sulfur chloropentafluoride 1A1C4v
136 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH- aluminum monohydride 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 anion cl-  
233 Cl+ Chlorine atom cation cl+  
234 Mn Manganese atom mn  
235 Br Bromine atom br  
236 Br- Bromine atom anion br-  
237 Br+ Bromine atom cation br+  
238 I Iodine atom iodine  
239 I- Iodine atom anion iodine-  
240 I+ Iodine atom cation iodine+  
241 DF Hydrofluoric acid-d df  
242 HF Hydrogen fluoride hf  
243 HF- hydrogen fluoride anion hf-  
244 HF+ hydrogen fluoride cation hf+  
245 DCl Hydrochloric acid-d dcl  
246 HCl- hydrogen chloride anion 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 H2Br+ protonated hydrogen bromide h2br+  
254 H2I+ Iodonium h2i+  
255 Ne Neon atom ne  
256 Ne- Neon atom anion ne-  
257 Ne+ Neon atom cation ne+  
258 Ar Argon atom ar  
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 CN Cyano radical cn  
389 CN- cyanide anion cn-  
390 CN+ Cyano cation cn+  
391 CP Carbon monophosphide cp  
392 CP- carbon monophosphide anion cp-  
393 CP+ carbon monophosphide cation cp+  
394 SiN Silicon nitride sin  
395 SiN- silicon mononitride anion sin-  
396 SiN+ silicon mononitride cation sin+  
397 SiP- Silicon monophosphide anion sip-  
398 SiP+ Silicon monophosphide cation sip+  
399 TiN Titanium mononitride tin  
400 N2 Nitrogen diatomic n2  
401 N2- nitrogen diatomic anion n2-  
402 N2+ diatomic nitrogen cation n2+  
403 PN Phosphorus mononitride pn  
404 PN- phosphorus nitride anion pn-  
405 PN+ phosphorus nitride cation pn+  
406 P2- phosphorus diatomic anion p2-  
407 P2+ phosphorus diatomic cation p2+  
408 AsN Arsenic mononitride asn  
409 AsP Arsenic monophosphide asp  
410 SbN Antimony nitride sbn  
411 As2 Arsenic diatomic as2  
412 HNB hydrogen nitrogen boron hnb  
413 HNC hydrogen isocyanide hnc  
414 HCN Hydrogen cyanide hcn  
415 HCN- Hydrogen cyanide anion hcn-  
416 HCN+ hydrogen cyanide cation hcn+  
417 HNC+ hydrogen isocyanide cation hnc+  
418 HCP Phosphaethyne hcp  
419 HCP+ Phosphaethyne cation hcp+  
420 NNH Dinitrogen monohydride nnh  
421 NNH+ Dinitrogen monohydride cation nnh+  
422 HPO Hydrogen phosphorus oxide hpo  
423 HPO+ Hydrogen phosphorus oxide cation hpo+  
424 LiNH2 lithium amide linh2  
425 HBNH Boranimine hbnh  
426 CNH2 Aminomethylidyne radical cnh2  
427 CNH2+ N-protonated hydrogen isocyanide cnh2+  
428 H2CN Dihydrogen cyanide radical h2cn  
429 H2CN+ hydrocyanonium cation h2cn+  
430 HCNH methyleneazane hcnh  
431 HCNH+ N-protonated HCN hcnh+  
432 H2NN Isodiazene h2nn  
433 N2H2 (E)-diazene n2h2  
434 N2H2 (Z)-Diazene n2h2z  
435 N2H2+ trans-diazene cation n2h2+  
436 CH2NH Methanimine ch3n  
437 CH2NH+ Methanimine cation ch2nh+  
438 CHNH2 aminomethylene chnh2  
439 CHNH2+ Aminocarbene cation chnh2+  
440 BH2NH2 Boranamine bh2nh2  
441 CH2NH2+ methyleneamine cation ch2nh2+  
442 N2H4 Hydrazine n2h4  
443 N2H4+ hydrazine cation n2h4+  
444 P2H4 Diphosphine p2h4  
445 CH3NH2 methyl amine ch3nh2  
446 CH3NH2+ methyl amine cation ch3nh2+  
447 CH3PH2 Methyl phosphine ch3ph2  
448 SiH3NH2 Silane, amino sih3nh2  
449 N2H5+ protonated hydrazine n2h5+  
450 BH3NH3 borane ammonia bh3nh3  
451 CH3NH3 methyl ammonium radical ch3nh3  
452 CH3NH3+ protonated methylamine ch3nh3+  
453 CH3PH3+ methyl phosphine, protonated ch3ph3+  
454 NH3NH3 Ammonia Dimer nh3nh3  
455 N2H7+ ammonia ammonium dimer n2h7+  
456 LiO lithium oxide lio  
457 LiO- lithium oxide anion lio-  
458 LiO+ lithium oxide cation lio+  
459 LiS+ Lithium sulfide cation lis+  
460 NaO sodium monoxide nao  
461 NaO- sodium oxide anion nao-  
462 NaO+ sodium oxide cation nao+  
463 KO Potassium monoxide ko  
464 KO+ Potassium monoxide cation ko+  
465 NaS Sodium sulfide nas  
466 CuO Copper Monoxide cuo  
467 LiSe Lithium monoselenide lise  
468 BeO beryllium oxide beo  
469 BeO- Beryllium monoxide anion beo-  
470 BeO+ Beryllium monoxide cation beo+  
471 BeS beryllium sulfide bes  
472 MgO magnesium oxide mgo  
473 MgO- magnesium oxide anion mgo-  
474 MgO+ magnesium oxide cation mgo+  
475 CaO Calcium monoxide cao  
476 MgS magnesium sulfide mgs  
477 MgS- magnesium sulfide anion mgs-  
478 MgS+ magnesium sulfide cation mgs+  
479 ZnO zinc monoxide zno  
480 ZnS Zinc sulfide zns  
481 BeS- Beryllium monosulfide anion bes-  
482 BeS+ Beryllium monosulfide cation bes+  
483 BO boron monoxide bo  
484 BO- boron monoxide anion bo-  
485 AlO Aluminum monoxide alo  
486 AlO- Aluminum monoxide anion alo-  
487 AlO+ aluminum monoxide cation alo+  
488 BS boron sulfide bs  
489 BS- boron monosulfide anion bs-  
490 BS+ boron monosulfide cation bs+  
491 AlS Aluminum sulfide als  
492 AlS- aluminum monosulfide anion als-  
493 AlS+ aluminum monosulfide cation als+  
494 ScO Scandium monoxide sco  
495 GaO Gallium monoxide gao  
496 GaS Gallium monosulfide gas  
497 BO+ boron monoxide cation bo+  
498 CO Carbon monoxide co  
499 CO- carbon monoxide anion co-  
500 CO+ carbon monoxide cation co+  
501 CS carbon monosulfide cs  
502 CS- carbon monosulfide anion cs-  
503 CS+ carbon monosulfide cation cs+  
504 SiO Silicon monoxide sio  
505 SiO- silicon monoxide anion sio-  
506 SiO+ silicon monoxide cation sio+  
507 SiS silicon monosulfide sis  
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 cation sise+  
517 GeSe Germanium monoselenide gese  
518 NO Nitric oxide no  
519 NO- nitric oxide anion no-  
520 NO+ nitric oxide cation no+  
521 NS Mononitrogen monosulfide ns  
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 anion se2-  
549 Se2+ selenium diatomic cation se2+  
550 Te2 Tellurium diatomic te2  
551 LiOH lithium hydroxide lioh  
552 NaOH sodium hydroxide naoh  
553 KOH Potassium hydroxide koh  
554 BeOH beryllium monohydroxide beoh  
555 MgOH magnesium hydroxide mgoh  
556 CaOH Calcium monohydroxide caoh  
557 HBO Boron hydride oxide hbo  
558 HBS hydrogen boron sulfide hbs  
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 HS2 Thiosulfeno radical hs2  
578 H2CO Formaldehyde h2co  
579 H2CO- formaldehyde anion h2co-  
580 H2CO+ formaldehyde cation h2co+  
581 HOCH hydroxycarbene hoch  
582 H2CS- thioformaldehyde anion h2cs-  
583 H2CS+ thioformaldehyde cation h2cs+  
584 H2NO nitroxide h2no  
585 H2O2 Hydrogen peroxide h2o2  
586 H2O2+ Hydrogen peroxide cation h2o2+  
587 H2OO water oxide h2oo  
588 HOSH hydrogen thioperoxide hosh  
589 H2Se2 hydrogen diselenide h2se2  
590 CH2OH Hydroxymethyl radical ch2oh  
591 CH2OH+ hydroxymethyl cation ch2oh+  
592 CH3O Methoxy radical ch3o  
593 CH3O- methoxy anion ch3o-  
594 CH3O+ Methoxy cation ch3o+  
595 CH3S thiomethoxy ch3s  
596 NH2OH hydroxylamine nh2oh  
597 NH2OH+ Hydroxylamine cation nh2oh+  
598 NH3O Ammonia Oxide nh3o  
599 NH2SH Thiohydroxylamine nh2sh  
600 NH3S sulfidoazane nh3s  
601 H3O2+ hydrogen peroxide, protonated h3o2+  
602 CH3OH Methyl alcohol ch3oh  
603 CH3OH- Methyl alcohol anion ch3oh-  
604 CH3OH+ Methyl alcohol cation ch3oh+  
605 CH3SH+ Methanethiol cation ch3sh+  
606 SiH3OH silanol sih3oh  
607 CH3SeH Methane selenol ch3seh  
608 NH2OH2+ protonated hydroxylamine nh2oh2+  
609 NH3OH+ N-protonated hydroxylamine nh3oh+  
610 H2OH2O water dimer h2oh2o  
611 CH3OH2+ Methanol, protonated ch3oh2+  
612 H2ONH3 Water Ammonia Dimer h2onh3  
613 H5O2+ Dihydroxonium ion h5o2+  
614 LiF lithium fluoride lif  
615 LiCl- lithium chloride anion licl-  
616 LiCl+ lithium chloride cation licl+  
617 NaF sodium fluoride naf  
618 NaF- sodium fluoride anion naf-  
619 NaF+ sodium fluoride cation naf+  
620 KF Potassium Fluoride kf  
621 NaCl Sodium Chloride nacl  
622 NaCl- sodium chloride anion nacl-  
623 NaCl+ sodium chloride cation nacl+  
624 KCl Potassium Chloride kcl  
625 CuF Copper monofluoride cuf  
626 LiBr Lithium Bromide libr  
627 LiBr- lithium bromide anion libr-  
628 LiBr+ lithium bromide cation libr+  
629 CuCl Copper monochloride cucl  
630 NaBr Sodium Bromide nabr  
631 NaBr- sodium bromide anion nabr-  
632 NaBr+ sodium bromide cation nabr+  
633 KBr Potassium Bromide kbr  
634 LiI Lithium Iodide lii  
635 NaI Sodium Iodide nai  
636 KI Potassium Iodide ki  
637 LiF- lithium fluoride anion lif-  
638 LiF+ lithium fluoride cation lif+  
639 BeF Beryllium monofluoride bef  
640 BeF- Beryllium monofluoride anion bef-  
641 BeF+ Beryllium monofluoride cation bef+  
642 BeCl beryllium monochloride becl  
643 MgF Magnesium monofluoride mgf  
644 MgF- magnesium fluoride anion mgf-  
645 MgF+ magnesium fluoride cation mgf+  
646 CaF Calcium monofluoride caf  
647 MgCl magnesium monochloride mgcl  
648 MgCl- magnesium monochloride anion mgcl-  
649 MgCl+ magnesium monochloride cation mgcl+  
650 CaCl calcium monochloride cacl  
651 TiCl Titanium Monochloride ticl  
652 ZnF Zinc monofluoride znf  
653 ZnF- Zinc monofluoride anion znf-  
654 ZnF+ Zinc monofluoride cation znf+  
655 ZnCl Zinc monochloride zncl  
656 CaBr Calcium monobromide cabr  
657 BeCl- beryllium monochloride anion becl-  
658 BeCl+ beryllium monochloride cation becl+  
659 BF Boron monofluoride bf  
660 BF- Boron monofluoride anion bf-  
661 BF+ Boron monofluoride cation bf+  
662 AlF Aluminum monofluoride alf  
663 AlF- Aluminum monofluoride anion alf-  
664 AlF+ Aluminum monofluoride cation alf+  
665 BCl boron monochloride bcl  
666 BCl- boron monochloride anion bcl-  
667 BCl+ boron monochloride cation bcl+  
668 AlCl- aluminum monochloride anion alcl-  
669 AlCl+ aluminum monochloride cation alcl+  
670 ScF Scandium monofluoride scf  
671 BBr Boron monobromide bbr  
672 GaF Gallium monofluoride gaf  
673 GaF+ Gallium monofluoride cation gaf+  
674 AlBr Aluminum monobromide albr  
675 GaCl Gallium monochloride gacl  
676 GaCl+ Gallium monochloride cation gacl+  
677 AlI Aluminum monoiodide ali  
678 GaBr Gallium monobromide gabr  
679 CF Fluoromethylidyne cf  
680 CF- carbon monofluoride anion cf-  
681 CF+ carbon monofluoride cation cf+  
682 CCl carbon monochloride ccl  
683 CCl- carbon monochloride anion ccl-  
684 CCl+ carbon monochloride cation ccl+  
685 SiF- silicon monofluoride anion sif-  
686 SiCl Clorosilylidyne sicl  
687 SiCl- silicon monochloride anion sicl-  
688 SiCl+ silicon monochloride cation sicl+  
689 CBr Carbon monobromide cbr  
690 GeF Germanium monofluoride gef  
691 GeF+ Germanium monofluoride cation gef+  
692 GeCl Germanium monochloride gecl  
693 GeCl+ Germanium monochloride cation gecl+  
694 SiBr Silicon monobromide sibr  
695 SiBr+ Silicon monobromide cation sibr+  
696 NF nitrogen fluoride nf  
697 NF- nitrogen monofluorine anion nf-  
698 NF+ nitrogen monofluoirde cation nf+  
699 NCl- nitrogen monochloride anion ncl-  
700 NCl+ nitrogen monochloride cation ncl+  
701 PF phosphorus monofluoride pf  
702 PF- phosphorus monofluoride anion pf-  
703 PF+ phosphorus monofluoride cation pf+  
704 PCl phosphorus chloride pcl  
705 PCl- phosphorus monochloride anion pcl-  
706 PCl+ phosphorus monochloride cation pcl+  
707 AsF Arsenic monofluoride asf  
708 NBr nitrogen monobromide nbr  
709 AsCl Arsenic monochloride ascl  
710 PBr Phosphorus monobromide pbr  
711 SbF Antimony monofluoride sbf  
712 SbCl Antimony monochloride sbcl  
713 FO Oxygen monofluoride fo  
714 FO- flourine oxide anion fo-  
715 FO+ fluorine monoxide cation fo+  
716 ClO- chlorine monoxide anion clo-  
717 ClO+ chlorine monoxide cation clo+  
718 SF- sulfur monofluoride anion sf-  
719 SCl- sulfur monochloride anion scl-  
720 BrO Bromine monoxide bro  
721 BrO- Bromine monoxide anion bro-  
722 BrO+ Bromine monoxide cation bro+  
723 SeF Selenium monofluoride sef  
724 SBr+ Sulfur monobromide cation sbr+  
725 SeCl Selenium monochloride secl  
726 IO Iodine monoxide io  
727 SeBr Selenium monobromide sebr  
728 BrCl Bromine monochloride brcl  
729 F2 Fluorine diatomic f2  
730 F2- flourine diatomic anion f2-  
731 F2+ flourine diatomic cation f2+  
732 ClF- clorine monofluoride anion clf-  
733 ClF+ clorine monofluoride cation clf+  
734 Cl2 Chlorine diatomic cl2  
735 BrF Bromine monofluoride brf  
736 BrF- bromine fluoride anion brf-  
737 BrF+ bromine fluoride cation brf+  
738 BrCl- bromine chloride anion brcl-  
739 BrCl+ bromine chloride cation brcl+  
740 IF Iodine monofluoride if  
741 Br2 Bromine diatomic br2  
742 Br2- bromine diatomic anion br2-  
743 Br2+ bromine diatomic cation br2+  
744 ICl Iodine monochloride icl  
745 IBr Iodine monobromide ibr  
746 I2 Iodine diatomic i2  
747 I2+ Iodine diatomic cation i2+  
748 HCF Fluoromethylene hcf  
749 HCCl Chloromethylene hccl  
750 HSiF fluorosilylene hsif  
751 HSiCl Chlorosilylene hsicl  
752 HSiBr monobromosilylene hsibr  
753 CHBr bromomethylene chbr  
754 HOF Hypofluorous acid hfo  
755 DOCl Hypochlorous acid-d docl  
756 HOCl+ hypochlorous acid cation hocl+  
757 HOBr Hypobromous acid hobr  
758 HOBr+ Hypobromous acid cation hobr+  
759 HOI Hypoiodous acid hoi  
760 F2H+ Fluorine, protonated f2h+  
761 FHF Hydrogen difluoride fhf  
762 FHF- Hydrogen difluoride anion fhf-  
763 ClFH+ Chlorine fluoride, F-protonated clfh+  
764 FClH+ Chlorine fluoride, Cl-protonated fclh+  
765 Cl2H+ Chlorine, protonated cl2h+  
766 CH2Br bromomethyl radical ch2br  
767 CH2F fluoromethyl radical ch2f  
768 CH2F+ fluoromethyl cation ch2f+  
769 CH2Cl+ chloromethyl cation ch2cl+  
770 NH2F monofluoroamine nh2f  
771 NH2Cl chloramine nh2cl  
772 H2F2 Hydrogen fluoride dimer h2f2  
773 CH3F+ methyl fluoride cation ch3f+  
774 CD3F methylfluoride-d3 cd3f  
775 CH3F Methyl fluoride ch3f  
776 CD3Cl methyl chloride d3 cd3cl  
777 CH3Cl+ Methyl chloride cation ch3cl+  
778 SiH3F monofluorosilane sih3f  
779 CH3Br methyl bromide ch3br  
780 GeH3F monofluorogermane geh3f  
781 GeH3Cl monochlorogermane geh3cl  
782 SiH3Br bromosilane sih3br  
783 CH3I methyl iodide ch3i  
784 SiH3I Silyl Iodide sih3i  
785 NH3Cl+ protonated monochloroammonia nh3cl+  
786 CH3ClH+ methyl chloride, protonated ch3clh+  
787 NH4Cl Ammonium chloride nh4cl  
788 LiNe+ Lithium Neon cation line+  
789 Ne2 Neon diatomic ne2  
790 Ne2+ Neon diatomic cation ne2+  
791 Ar2 Argon diatomic ar2  
792 Ar2+ Argon diatomic cation ar2+  
793 Li3 Lithium trimer li3  
794 Li3+ Lithium trimer cation li3+  
795 C3 carbon trimer c3  
796 C3+ carbon trimer cation c3+  
797 SiC2 Silicon dicarbide sic2  
798 C3H3 cyclopropenyl radical cpr  
799 C3H3 Propargyl radical propargyl  
800 C3H3- Propargyl anion c3h3-  
801 C3H3+ cyclopropenyl cation cpr+  
802 C3H3+ Propargyl cation c3h3+  
803 C3H4 cyclopropene cprop  
804 CH2CCH2 allene allene  
805 CH3CCH propyne propyne  
806 C3H5 Allyl radical allyl  
807 C3H5+ Allyl cation allyl+  
808 CH3CHCH 1-propenyl radical ch3chch  
809 Zn(CH3)2 dimethyl zinc dmz  
810 C3H6 Cyclopropane c3h6  
811 CH2CHCH3 Propene propene  
812 C3H7 n-Propyl radical npropyl  
813 C3H7+ cyclopropane, protonated c3h7+  
814 CH3CHCH3 Isopropyl radical isopropyl  
815 CH3CHCH3+ Isopropyl cation prop2yl+  
816 C3H8 Propane propane  
817 SiH2(CH3)2 dimethylsilane dms  
818 LiCN lithium cyanide licn  
819 NaCN Sodium Cyanide nacn  
820 KCN Potassium cyanide kcn  
821 CuCN Copper cyanide cucn  
822 ZnCN Zinc monocyanide zncn  
823 ZnNC Zinc isocyanide znnc  
824 AlCN Aluminum monocyanide alcn  
825 AlNC Aluminum isocyanide alnc  
826 CN2 3H-Diazirin-3-ylidene cn2  
827 CNN Diazocarbene cnn  
828 NCN Cyanoimidogen ncn  
829 N3 azide radical n3  
830 N3- azide anion n3-  
831 N3+ azide cation n3+  
832 HCCN cyanomethylene hccn  
833 HCNN diazomethyl radical hcnn  
834 HN3 hydrogen azide hn3  
835 HN3+ Hydrazoic acid cation hn3+  
836 HNCNH diiminomethane hncnh  
837 CH2N2 diazirine ch2n2  
838 CH2NN diazomethane ch2nn  
839 NH2CN cyanamide cyanamide  
840 HNNNH+ 1,2-Triazadienium n2h3+  
841 NH2NN+ hydrazoic acid, protonated nh2nn+  
842 CH3CN Acetonitrile ch3cn  
843 CH3CN- acetonitrile anion ch3cn-  
844 CH3CN+ Acetonitrile cation ch3cn+  
845 CH3NC methyl isocyanide ch3nc  
846 CHNCH2 2H-Azirine c157164  
847 CHNHCH 1H-Azirine chnhch  
848 H2CCNH Ethenimine ch2cnh  
849 H2CNCH methyleneaminomethylene ch2nch  
850 HCCNH2 Ethynamine hccnh2  
851 HCNCH2+ 2H-Azirine cation hcnch2+  
852 HNCNH2+ diiminomethane, protonated hncnh2+  
853 NCNH3+ Cyanamide, protonated ncnh3+  
854 NH2CNH+ cyanamide, cn protonated nh2cnh+  
855 NH3CN+ cyanamide, amine protonated nh3cn+  
856 CH2CHNH vinylazine ch2chnh  
857 CH3CHN methylmethaniminyl radical ch3chn  
858 NHCHNH2 aminomethanimine cn2h4  
859 C2H5N Aziridine c2h5n  
860 CH2CHNH2 aminoethene aminoethene  
861 CH2NCH3 N-methylmethanimine nmm  
862 CH3CHNH ethanimine ethanimine  
863 NH2BHNH2 diaminoborane nh2bhnh2  
864 C2H5NH+ Protonated Aziridine c2h5nh+  
865 C2H6N+ aziridine, protonated c2h6n+  
866 NH2CH2NH2 diaminomethane nh2ch2nh2  
867 CH3CH2NH2 Ethylamine etam  
868 CH3NHCH3 Dimethylamine ch3nhch3  
869 CH3PHCH3 dimethylphosphine ch3phch3  
870 NH2CH2NH3+ diaminoethane, protonated pdam  
871 (CH3)2NH2+ dimethylammonium cation dmam  
872 CH3CH2NH3+ ethylamine, protonated pea  
873 Li2O dilithium oxide li2o  
874 Li2O+ dilithium oxide cation li2o+  
875 Na2O disodium monoxide na2o  
876 Na2S Sodium sulfide na2s  
877 LiO2 Lithium dioxide lio2  
878 NaO2 Sodium superoxide nao2  
879 CCO Dicarbon monoxide cco  
880 CNO- fulminate cno-  
881 NCO isocyanato radical nco  
882 NCO- cyanate nco-  
883 SCN thiocyanato radical scn  
884 SCN- thiocyanide anion scn-  
885 BO2 Boron dioxide bo2  
886 BO2- Boron dioxide anion bo2-  
887 BO2+ Boron dioxide cation bo2+  
888 N2O Nitrous oxide n2o  
889 N2O- Nitrous oxide anion n2o-  
890 N2O+ Nitrous oxide cation n2o+  
891 PPO Phosphorus oxide phosphide ppo  
892 CO2 Carbon dioxide co2  
893 CO2- Carbon dioxide anion co2-  
894 CO2+ Carbon dioxide cation co2+  
895 OCS+ Carbonyl sulfide cation cos+  
896 SiO2 silicon dioxide sio2  
897 CS2 Carbon disulfide cs2  
898 CS2- Carbon disulfide anion cs2-  
899 CS2+ Carbon disulfide cation cs2+  
900 TiO2 Titanium dioxide tio2  
901 GeO2 Germanium dioxide geo2  
902 OCSe Carbonyl selenide ocse  
903 SCSe Carbon sulfide selenide scse  
904 GeS2 Germanium disulfide ges2  
905 CSe2 Carbon diselenide cse2  
906 SCTe Carbon sulfide Telluride scte  
907 NO2 Nitrogen dioxide no2  
908 NO2- Nitrogen dioxide anion no2-  
909 NO2+ Nitrogen dioxide cation no2+  
910 PO2 Phosphorus dioxide po2  
911 PO2- Phosphorus dioxide anion po2-  
912 PO2+ Phosphorus dioxide cation po2+  
913 AsO2 Aresenic dioxide aso2  
914 O3 Ozone o3  
915 O3- Ozone anion o3-  
916 O3+ Ozone cation o3+  
917 SO2- Sulfur dioxide anion so2-  
918 SO2+ Sulfur dioxide cation so2+  
919 SSO Disulfur monoxide sso  
920 S3- Sulfur trimer anion s3-  
921 SeO2 Selenium dioxide seo2  
922 SeO2+ Selenium dioxide cation seo2+  
923 TeO2 Tellurium Dioxide teo2  
924 HCCO ketenyl radical ketenyl  
925 CS2H+ Carbon disulfide, protonated cs2h+  
926 HCNO fulminic acid hcno  
927 HNCO Isocyanic acid hnco  
928 HOCN cyanic acid hocn  
929 HNCS Isothiocyanic acid hncs  
930 HSCN thiocyanic acid hscn  
931 HCO2- formate anion hco2-  
932 HNNO nitrosoazane hnno  
933 HNNO+ Nitrous oxide, N-protonated hnno+  
934 NNOH+ Nitrous Oxide, O-protonated nnoh+  
935 HCOO formate neutral radical hcoo  
936 HOCO Hydrocarboxyl radical hoco  
937 HOCO+ Hydrocarboxyl cation hoco+  
938 HNO2 Nitrous acid hno2  
939 HNO2+ nitrous acid cation hno2+  
940 O3H+ protonated ozone o3h+  
941 SO2H+ protonated sulfur dioxide so2h+  
942 C2H2O Oxirene oxirene  
943 CH2CO Ketene ch2co  
944 CH2CO+ Ketene cation ch2co+  
945 HCCOH ethynol hccoh  
946 Be(OH)2 Beryllium hydroxide beo2h2  
947 Mg(OH)2 Magnesium dihydroxide h2mgo2  
948 NH2NO Nitrosamide nh2no  
949 CH2O2 Dioxirane diox  
950 H2COO Dioxymethyl radical h2coo  
951 H2COO+ dioxymethyl cation h2coo+  
952 HCOOH Formic acid ch2o2  
953 H2O3 Hydrogen trioxide h2o3  
954 NaOCH3 Sodium methoxide naoch3  
955 CH2BOH hydroxy(methylene)borane ch2boh  
956 BH3CO Borane carbonyl bh3co  
957 CH3BO Borane, methyloxo- ch3bo  
958 CH2CHO Vinyloxy radical ch2cho  
959 CH2COH+ ketene, protonated ch2coh+  
960 CH3CO Acetyl radical ch3co  
961 CH3CO- Acetyl anion ch3co-  
962 CH3CO+ acetyl cation ch3co+  
963 CH2NOH formaldoxime ch2noh  
964 CH3NO nitrosomethane ch3no  
965 CHONH2 formamide formamide  
966 CNOH3 1,2-oxaziridine cnoh3  
967 HOCHNH hydroxymethylimine hochnh  
968 CHSNH2 thioformamide chsnh2  
969 NHCHSH Methanimidothioic acid nhchsh  
970 CH2OOH CH2OOH radical ch2ooh  
971 CH3OO methylperoxy radical ch3oo  
972 CH3OO- methylperoxy anion ch3oo-  
973 CH3OO+ methylperoxy cation ch3oo+  
974 C2H4O Ethylene oxide c2h4o  
975 C2H4O+ ethylene oxide cation c2h4o+  
976 CH2CHOH ethenol ch2choh  
977 CH3CHO Acetaldehyde ch3cho  
978 CH3CHO+ acetaldehyde cation ch3cho+  
979 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
980 CH2CHSH Ethenethiol ch2chsh  
981 H2CONH2+ protonated formamide h2conh2+  
982 NH2CHOH+ Formamide, O-protonated nh2choh+  
983 NH3CHO+ Formamide, N-Protonated nh3cho+  
984 CH2(OH)2 methanediol ch2o2h2  
985 CH3OOH Methyl peroxide ch3ooh  
986 HSCH2SH Methanedithiol ch4s2  
987 H2OH2CO water formaldehyde dimer h2oh2co  
988 C2H4OH+ ethylene oxide, protonated c2h4oh+  
989 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
990 CH3CH2O Ethoxy radical ethoxy  
991 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
992 CH3CHOH+ acetaldehyde, protonated ch3choh+  
993 CH3OCH2 methoxymethyl radical ch3och2  
994 NH2CH2OH aminomethanol nh2ch2oh  
995 CH3CH2OH Ethanol etoh  
996 CH3OCH3 Dimethyl ether meome  
997 CH3SCH3 Dimethyl sulfide mesme  
998 CH3SCH3+ dimethyl sulfide cation mesme+  
999 CH3SeCH3 dimethylselenide dmse  
1000 CH3OHH2O methanol water dimer ch3ohh2o  
1001 H2OCH3OH water methanol dimer h2och3oh  
1002 CuF2 Copper difluoride cuf2  
1003 ZnF2 Zinc difluoride znf2  
1004 CNF iso cyanogen fluoride cnf  
1005 FCN Cyanogen fluoride fcn  
1006 ClCN chlorocyanogen clcn  
1007 BrCN Cyanogen bromide brcn  
1008 ICN Cyanogen iodide icn  
1009 FBO Boron monofluoride monoxide fbo  
1010 BeF2 Beryllium fluoride bef2  
1011 MgF2 Magnesium fluoride mgf2  
1012 BeCl2 Beryllium chloride becl2  
1013 MgCl2 Magnesium dichloride mgcl2  
1014 CaCl2 Calcium Chloride cacl2  
1015 ZnCl2 Zinc dichloride zncl2  
1016 BeBr2 Beryllium bromide bebr2  
1017 CaBr2 Calcium dibromide cabr2  
1018 CaF2 Calcium difluoride caf2  
1019 FCO Carbonyl fluoride fco  
1020 FCO+ Carbonyl fluoride cation fco+  
1021 ClCO carbonyl monochloride clco  
1022 BF2 Boron difluoride radical bf2  
1023 FNO Nitrosyl fluoride fno  
1024 ClNO Nitrosyl chloride clno  
1025 BrNO Nitrosyl bromide brno  
1026 INO Nitrosyl iodide ino  
1027 CF2 Difluoromethylene cf2  
1028 CF2- Difluoromethylene anion cf2-  
1029 CF2+ Difluoromethylene cation cf2+  
1030 CFCl chlorofluoromethylene cfcl  
1031 SiF2 Silicon difluoride sif2  
1032 SiF2+ Silicon difluoride cation sif2+  
1033 CCl2 dichloromethylene ccl2  
1034 CCl2- dichloromethylene anion ccl2-  
1035 CCl2+ dichloromethylene cation ccl2+  
1036 SiCl2 Dichlorosilylene sicl2  
1037 GeF2 Germanium difluoride gef2  
1038 CBr2 dibromomethylene cbr2  
1039 FOO Dioxygen monofluoride radical foo  
1040 FOO+ Fluorine dioxide cation foo+  
1041 ClOO chloroperoxy radical cloo  
1042 ClOO+ chloroperoxy cation cloo+  
1043 OClO- Chlorine dioxide anion oclo-  
1044 OClO+ Chlorine dioxide cation oclo+  
1045 ClS2 Sulfur chloride cls2  
1046 BrOO Bromine dioxide broo  
1047 OBrO Bromine dioxide radical obro  
1048 NF2 Difluoroamino radical nf2  
1049 NF2+ Difluoroamino cation nf2+  
1050 PF2 Phosphorus difluoride pf2  
1051 PF2+ Phosphorus difluoride cation pf2+  
1052 F2O Difluorine monoxide f2o  
1053 SF2- sulfur difluoride anion sf2-  
1054 SF2+ sulfur difluoride cation sf2+  
1055 Cl2O Dichlorine monoxide cl2o  
1056 SeF2 Selenium difluoride sef2  
1057 BrOCl Bromine hypochlorite brocl  
1058 BrOBr Bromine oxide brobr  
1059 F3- trifluoride anion f3-  
1060 Cl3- trichloride anion cl3-  
1061 Br3- tribromide anion br3-  
1062 I3- triiodide i3-  
1063 SFCl Sulfur chloride fluoride sfcl  
1064 HCCF Fluoroacetylene hccf  
1065 HCCF+ fluoroacetylene cation hccf+  
1066 HCCCl Chloroacetylene hcccl  
1067 HCCBr bromoacetylene hccbr  
1068 HFCO formyl fluoride hfco  
1069 HFCO+ formyl fluoride cation hfco+  
1070 COHCl Formyl chloride cohcl  
1071 COHBr Formyl bromide cohbr  
1072 BHF2 Difluoroborane bhf2  
1073 BHCl2 Borane, dichloro- bhcl2  
1074 CHCl2 dichloromethyl radical chcl2  
1075 CHF2 difluoromethyl radical chf2  
1076 CHF2+ difluoromethyl cation chf2+  
1077 CHFCl Chlorofluoromethyl radical chfcl  
1078 CHFCl+ Chlorofluoromethyl cation chfcl+  
1079 CHCl2+ dichloromethyl cation chcl2+  
1080 CHBr2 dibromomethyl radical chbr2  
1081 HOClO Chlorous acid hoclo  
1082 NHF2 difluoramine nhf2  
1083 NHCl2 dichloroamine nhcl2  
1084 CH2FCl fluorochloromethane ch2fcl  
1085 SiH2F2 difluorosilane sih2f2  
1086 CH2BrF Methane, bromofluoro- ch2fbr  
1087 CH2BrCl Methane, bromochloro- ch2clbr  
1088 CH2FI fluoroiodomethane ch2fi  
1089 CH2Br2 dibromomethane ch2br2  
1090 CH2ClI chloroiodomethane ch2cli  
1091 CH2BrI bromoiodomethane ch2bri  
1092 CH2I2 Diiodomethane ch2i2  
1093 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1094 CH2CHF Ethene, fluoro- ch2chf  
1095 CH2CHF+ fluoroethene cation ch2chf+  
1096 C2H3Cl Ethene, chloro- ch2chcl  
1097 C2H3Br vinyl bromide c2h3br  
1098 C2H3I Vinyl iodide c2h3i  
1099 CH2FOH fluoromethanol ch2foh  
1100 CH3OCl methyl hypochlorite ch3ocl  
1101 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1102 CHClCH3 1-chloroethyl radical chclch3  
1103 C2H5F fluoroethane c2h5f  
1104 CH3CH2Cl Ethyl chloride c2h5cl  
1105 CH3SiFH2 fluoromethylsilane ch3sifh2  
1106 C2H5Br Ethyl bromide etbr  
1107 C2H5I Ethyl iodide c2h5i  
1108 KrF2 Krypton difluoride krf2  
1109 XeF2 Xenon difluoride xef2  
1110 B4H10 Tetraborane(10) b4h10  
1111 C4 Carbon tetramer c4  
1112 C4+ Carbon tetramer cation c4+  
1113 C4H2 Diacetylene c4h2  
1114 C4H2+ diacetlyene cation c4h2+  
1115 C2H3CCH 1-Buten-3-yne c2h3cch  
1116 C4H4 cyclobutadiene cbd  
1117 C4H4 Tetrahedrane c4h4  
1118 H2CCCCH2 Butatriene h2cccch2  
1119 C4H6 1-Methylcyclopropene c3100047  
1120 C4H6 Cyclobutene c822355  
1121 C4H6 Methylenecyclopropane c6142730  
1122 CH2CCHCH3 1,2-Butadiene butad12  
1123 CH2CHCHCH2 1,3-Butadiene c106990  
1124 CH3CCCH3 2-Butyne c503173  
1125 CHCCH2CH3 1-Butyne c107006  
1126 CH3CHCHCH2 methylallyl radical c4h7  
1127 C4H8 methylcyclopropane mcp  
1128 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1129 CH2CHCH2CH3 1-Butene bute1  
1130 CH3CHCHCH3 2-Butene, (E)- bute2e  
1131 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1132 B(CH3)3 trimethylborane bme3  
1133 Al(CH3)3 trimethyl aluminum tma  
1134 C(CH3)3 Tert-butyl radical tbutyl  
1135 CH2CH(CH3)2 Isobutyl radical isobutyl  
1136 CH3CHCH2CH3 2-Butyl radical butyl2  
1137 CH3CH(CH3)CH3 Isobutane isobutane  
1138 CH3CH2CH2CH3 Butane butane  
1139 SiH(CH3)3 trimethylsilane trimsi  
1140 Li3N trilithium nitride li3n  
1141 C2N2 Cyanogen c2n2  
1142 C2N2+ Cyanogen cation c2n2+  
1143 P4 Phosphorus tetramer p4  
1144 As4 Arsenic tetramer as4  
1145 HCCCN Cyanoacetylene hcccn  
1146 HCCCN+ Cyanoacetylene cation hcccn+  
1147 H2CNCN cyanamide, methylene ch2ncn  
1148 HNCCNH Ethenediimine hnccnh  
1149 C3H3N acrylonitrile ch2chcn  
1150 C3H3N+ acrylonitrile cation ch2chcn+  
1151 CH3N3 methyl azide ch3n3  
1152 NH2CCNH2 Diaminoacetylene daa  
1153 NH2CH2CN Aminoacetonitrile aan  
1154 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1155 C2H5CN ethyl cyanide c2h5cn  
1156 CH5N3 Guanidine guanidine  
1157 C4H6 Bicyclo[1.1.0]butane c157335  
1158 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1159 H2NCHCHNH2 diaminoethylene dae  
1160 CH6N3+ guanidinium ch6n3+  
1161 C3H7N Cyclopropylamine cpram  
1162 CH7N3 triaminomethane tam  
1163 C3H7N Azetidine azet  
1164 C4H8 cyclobutane cbutane  
1165 C2H8N2 Ethylenediamine ethdiam  
1166 CH3NHNHCH3 dimethyl hydrazine dmh  
1167 CH3CH(NH2)CH3 2-Propanamine pram2  
1168 N(CH3)3 Trimethylamine trimeam  
1169 NH2CH2CH2CH3 1-Propanamine pram1  
1170 P(CH3)3 trimethylphosphine tmp  
1171 N(SiH3)3 trisilylamine tsa  
1172 As(CH3)3 trimethyl arsine tmas  
1173 (CH3)3NH+ protonated trimethyl amine ptma  
1174 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1175 Li2O2 dilithium dioxide li2o2  
1176 Na2O2 disodium dioxide na2o2  
1177 K2O2 dipotassium dioxide k2o2  
1178 C3O Tricarbon monoxide c3o  
1179 B2O2 Diboron dioxide b2o2  
1180 ONNO NO dimer onno  
1181 CO3 Carbon trioxide co3  
1182 CO3-- carbonate co3--  
1183 NO3 Nitrogen trioxide no3  
1184 NO3- nitrate anion no3-  
1185 NO3+ nitrogen trioxide cation no3+  
1186 SO3- Sulfur trioxide anion so3-  
1187 SO3-- Sulfate dianion so3--  
1188 SO3+ Sulfur trioxide cation so3+  
1189 SeO3 selenium trioxide seo3  
1190 TeO3 Tellurium trioxide teo3  
1191 HCO3- bicarbonate anion hco3-  
1192 HNO3 Nitric acid hno3  
1193 HSO3 Hydroxysulfonyl radical hso3  
1194 NH2NO2 nitramide nh2no2  
1195 C2H2CO cyclopropenone c2h2co  
1196 C3H2O Propadienal c3h2o  
1197 HCCCHO 2-propynal hcccho  
1198 C2H2O2 Ethanedial c2h2o2  
1199 C2H2O2+ Ethanedial cation c2h2o2+  
1200 H2CO3 Carbonic acid h2co3  
1201 H2CS3 thiocarbonic acid h2cs3  
1202 H2NO3+ Nitric Acid, Protonated h2no3+  
1203 H2SO3 Sulfurous acid h2so3  
1204 C2H3NO Nitrosoethylene c2h3no  
1205 CH3NCO methylisocyante ch3nco  
1206 HOCH2CN cyanomethanol hoch2cn  
1207 CH3COO- acetate anion ch3coo-  
1208 CH3NO2 Methane, nitro- ch3no2  
1209 CH3ONO Methyl nitrite ch3ono  
1210 NH2COOH Carbamic acid nh2cooh  
1211 H3BO3 Boric acid h3bo3  
1212 H3CO3+ carbonic acid, protonated h3co3+  
1213 C3H4O 2-Propyn-1-ol c107197  
1214 C3H4O allenol c9000071  
1215 C3H4O Cyclopropanone cpone  
1216 C3H4O Methylketene c6004440  
1217 CH2CHCHO Acrolein c3h4o  
1218 NH2CONH2 Urea urea  
1219 NH2CONH2+ Urea cation urea+  
1220 NH2CSNH2 Thiourea thiourea  
1221 C2H4O2 1,3-dioxetane c2h4o2  
1222 CH3COOH Acetic acid ch3cooh  
1223 CH3OCHO methyl formate ch3ocho  
1224 CHOCH2OH hydroxy acetaldehyde haa  
1225 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1226 NH3COOH+ protonated Carbamic acid nh3cooh+  
1227 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1228 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1229 HCOOHH2O Formic acid water dimer hcoohh2o  
1230 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1231 CH3COCH2 Acetonyl radical ch3coch2  
1232 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1233 CH3C(OH)=NH Ethaninidic acid eia  
1234 CH3CHNOH Acetaldoxime acetaldoxime  
1235 CH3CONH2 Acetamide acetamide  
1236 HCONHCH3 N-methylformamide nmfa  
1237 CH5N2O+ urea, N-protonated ch4n2o+  
1238 H2NCOHNH2+ urea, protonated ureah+  
1239 C2H5OO ethylperoxy radical c2h5oo  
1240 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1241 C3H5OH Cyclopropanol cproh  
1242 C3H6O 2-Propen-1-ol c107186  
1243 C3H6O Acetone enol enol  
1244 C3H6O Oxetane oxetane  
1245 C3H6O Propylene oxide prox  
1246 CH3CH2CHO Propanal propanal  
1247 CH3COCH3 Acetone acetone  
1248 CH3COCH3- acetone anion ch3coch3-  
1249 C3H6S Thietane thietane  
1250 C3H6S Thiirane, methyl- methiirane  
1251 CH3CSCH3 Thioacetone ch3csch3  
1252 C2H6O2 1,2-Ethanediol ethdiol  
1253 CH3OOCH3 dimethylperoxide dmp  
1254 CH3SOCH3 Dimethyl sulfoxide dmso  
1255 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1256 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1257 CH3COHCH3+ acetone, protonated acetoneh+  
1258 HOCH2CH2NH2 monoethanolamine mea  
1259 C3H7OH 1-Propanol proh  
1260 CH3CHOHCH3 Isopropyl alcohol isoproh  
1261 CH3OC2H5 Ethane, methoxy- etome  
1262 C3H7SH 1-Propanethiol prsh  
1263 CH3CHSHCH3 2-Propanethiol isoprsh  
1264 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1265 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1266 Li2F2 Lithium fluoride dimer li2f2  
1267 Na2F2 Sodium Fluoride Dimer na2f2  
1268 Na2Cl2 Disodium dichloride na2cl2  
1269 C2F2 difluoroacetylene c2f2  
1270 C2Cl2 dichloroacetylene c2cl2  
1271 C2Cl2+ dichloroacetylene cation c2cl2+  
1272 FNO2 Nitryl fluoride fno2  
1273 FONO Nitrosyl hypofluorite fono  
1274 ClNO2 Nitryl chloride clno2  
1275 ClONO chlorine nitrite clono  
1276 BrONO Bromine nitrite brono  
1277 N2F2 (Z)-Difluorodiazene n2f2_z  
1278 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1279 CF2O Carbonic difluoride f2co  
1280 CF2O+ Carbonic difluoride cation f2co+  
1281 COFCl Carbonic chloride fluoride cofcl  
1282 CCl2O Phosgene cl2co  
1283 COBr2 Carbonic dibromide cobr2  
1284 BF3 Borane, trifluoro- bf3  
1285 BF3- Borane, trifluoro- anion bf3-  
1286 BF3+ boron trifluoride cation bf3+  
1287 BClF2 Chlorodifluoroborane bclf2  
1288 AlF2Cl Aluminum chloride difluoride alclf2  
1289 ScF3 Scandium trifluoride ScF3  
1290 AlFCl2 Aluminum dichloride fluoride alcl2f  
1291 BCl3 Borane, trichloro- bcl3  
1292 BCl3+ Boron Trichloride cation bcl3+  
1293 GaF3 Gallium trifluoride gaf3  
1294 AlCl3 Aluminum trichloride alcl3  
1295 GaCl3 Gallium trichloride gacl3  
1296 BBr3 Boron tribromide bbr3  
1297 AlBr3 Aluminum Bromide albr3  
1298 ClO3 Chlorine trioxide clo3  
1299 ClO3- chlorate anion clo3-  
1300 BrO3- Bromate anion bro3-  
1301 CF3 Trifluoromethyl radical cf3  
1302 CF3- Trifluoromethyl anion cf3-  
1303 CF3+ Trifluoromethyl cation cf3+  
1304 CF2Cl difluorochloromethyl radical cf2cl  
1305 SiF3 Silicon trifluoride radical sif3  
1306 SiF3+ Silicon trifluoride cation sif3+  
1307 CFCl2 dichlorofluoromethyl radical cfcl2  
1308 CCl3 Trichloromethyl radical ccl3  
1309 CCl3- Trichloromethyl anion ccl3-  
1310 CCl3+ Trichloromethyl cation ccl3+  
1311 SiCl3 trichlorosilyl radical sicl3  
1312 SiCl3+ trichlorosilyl cation sicl3+  
1313 CBr3 tribromomethyl radical cbr3  
1314 FOOF Perfluoroperoxide foof  
1315 ClOOCl Dichlorine dioxide cloocl  
1316 SOCl2 thionyl chloride socl2  
1317 SeOCl2 selenium oxychloride seocl2  
1318 NF3 Nitrogen trifluoride nf3  
1319 NF3- Nitrogen trifluoride anion nf3-  
1320 NF3+ Nitrogen trifluoride cation nf3+  
1321 PF3 Phosphorus trifluoride pf3  
1322 NCl3 nitrogen trichloride ncl3  
1323 AsF3 Arsenic trifluoride asf3  
1324 PCl3 Phosphorus trichloride pcl3  
1325 SbF3 Antimony Trifluoride sbf3  
1326 AsCl3 Arsenous trichloride ascl3  
1327 SbCl3 Antimony Trichloride sbcl3  
1328 NBr3 Nitrogen Tribromide nbr3  
1329 PBr3 Phosphorus tribromide pbr3  
1330 AsBr3 Arsenic tribromide asbr3  
1331 NI3 Nitrogen triiodide ni3  
1332 PI3 Phosphorus triiodide pi3  
1333 ClSSCl Disulfur dichloride s2cl2  
1334 BrF3 Bromine trifluoride brf3  
1335 IF3 iodone trifluoride if3  
1336 CHF3 Methane, trifluoro- chf3  
1337 CHF2Cl difluorochloromethane chf2cl  
1338 SiHF3 trifluorosilane sihf3  
1339 CHFCl2 fluorodichloromethane chfcl2  
1340 CDCl3 trichloromethane-d cdcl3  
1341 CHCl3 Chloroform chcl3  
1342 CHBrF2 Methane, bromodifluoro- chbrf2  
1343 SiHCl3 Trichlorosilane sihcl3  
1344 CHFClBr fluorochlorobromomethane chfclbr  
1345 CHBrCl2 Methane, bromodichloro- chbrcl2  
1346 CHF2I difluoroiodomethane chf2i  
1347 CHBr2F dibromofluoromethane chbr2f  
1348 CHFClI fluorochloroiodomethane chfcli  
1349 CHCl2I dichloroiodomethane chcl2i  
1350 CHClBr2 Methane, dibromochloro- chclbr2  
1351 CHBr3 bromoform chbr3  
1352 CHI3 Iodoform chi3  
1353 NF3H+ protonated nitrogen trifluoride nf3h+  
1354 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1355 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1356 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1357 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1358 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1359 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1360 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1361 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1362 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1363 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1364 C2H2Br2 1,1-dibromoethene c2h2br2  
1365 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1366 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1367 CH2FCHO Fluoroacetaldehyde ch2fcho  
1368 CH3COF Acetyl fluoride ch3cof  
1369 CH2ClCHO chloroacetaldehyde ch2clcho  
1370 CH3COCl Acetyl Chloride ch3cocl  
1371 C2H4F2 1,2-difluoroethane c2h4f2  
1372 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1373 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1374 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1375 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1376 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1377 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1378 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1379 CH2CFCH3 2-fluoropropene 2fpro  
1380 CH2CHCH2F Allyl Fluoride allylf  
1381 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1382 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1383 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1384 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1385 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1386 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1387 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1388 CH2FCH2CH3 1-Fluoropropane prf1  
1389 CH3CHFCH3 2-Fluoropropane prf2  
1390 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1391 CH3CHClCH3 Propane, 2-chloro- prcl2  
1392 CH3CH2CH2Br n-propyl bromide prbr  
1393 CH3CHBrCH3 i-propyl bromide iprbr  
1394 C3H9O+ trimethyl oxonium cation c3h9o+  
1395 B5H9 pentaborane9 b5h9  
1396 C5H4 pentatetraene ptrene  
1397 C5H5 cyclopentadienyl radical c5h5  
1398 C5H5- cylopentadienyl anion c5h5-  
1399 C5H6 1,3-Cyclopentadiene c542927  
1400 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1401 C5H6 3-Penten-1-yne, (E)- c2004695  
1402 C5H6 3-Penten-1-yne, (Z)- c1574409  
1403 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1404 C5H6 Cyclopropylacetylene c6746947  
1405 C5H6 Propellane propellane  
1406 C5H7 1,3-pentadienyl radical pdyl  
1407 C5H7 cyclopentenyl radical cpyl  
1408 C5H8 1,2-Butadiene, 3-methyl- c598254  
1409 C5H8 1,2-Pentadiene c591957  
1410 C5H8 1,3-Butadiene, 2-methyl- c78795  
1411 C5H8 1,3-Pentadiene, (E)- c2004708  
1412 C5H8 1,3-Pentadiene, (Z)- c1574410  
1413 C5H8 1,4-Pentadiene c591935  
1414 C5H8 1-pentyne a1pentyne  
1415 C5H8 2,3-Pentadiene c591968  
1416 C5H8 Bicyclo[1.1.1]pentane bcp  
1417 C5H8 Cyclobutane, methylene- c1120565  
1418 C5H8 Cyclopentene c142290  
1419 C5H8 Ethenylcyclopropane c693867  
1420 CH3CCCH2CH3 2-Pentyne 2pentyne  
1421 C5H10 1-Butene, 2-methyl- c563462  
1422 C5H10 2-Butene, 2-methyl- c513359  
1423 C5H10 2-Pentene, (E)- c646048  
1424 C5H10 2-Pentene, (Z)- c627203  
1425 C5H10 Cyclopentane c287923  
1426 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1427 CH2CHCH2CH2CH3 1-pentene pentene  
1428 C5H11 2-Methylbut-2-yl radical c4348350  
1429 C5H12 Butane, 2-methyl- buta2  
1430 C5H12 Pentane pentane  
1431 C5H12 Propane, 2,2-dimethyl- neopentane  
1432 Si(CH3)4 tetramethylsilane tms  
1433 N2O3 Dinitrogen trioxide n2o3  
1434 C3H2N2 Malononitrile c3h2n2  
1435 CH2N4 1H-Tetrazole 1htz  
1436 C3H3N2 imidazolyl radical im  
1437 C3H3N2- imidizolyl anion im-  
1438 C2H3N3 1H-1,2,4-Triazole c288880  
1439 C4H4N pyrrolide radical c4h4n  
1440 C4H4N- pyrrolide anion c4h4n-  
1441 C3H4N2 1H-Imidazole 1himidaz  
1442 C3H4N2 1H-Pyrazole 1hpyraz  
1443 C3H4N2 2H-Imidazole imid2h  
1444 C3H4N2 4H-Imidazole imid4h  
1445 C4H5N (E)-2-Butenenitrile c627269  
1446 C4H5N (Z)-2-Butenenitrile c1190767  
1447 C4H5N 2H-pyrrole pyrrole2  
1448 C4H5N 3H-pyrrole pyrrole3  
1449 C4H5N Cyclopropanecarbonitrile c5500210  
1450 C4H5N Pyrrole pyrrole  
1451 CH2CHCH2CN Allylcyanide ch2chch2cn  
1452 C4H6N+ pyrrole, alpha-protonated appyr  
1453 C4H6N+ pyrrole, beta-protonated bppyr  
1454 C4H6N+ pyrrole, protonated ppyr  
1455 C3H6N2 3-Aminopropionitrile c151188  
1456 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1457 CH3CH2CH2CN Butanenitrile c109740  
1458 C5H8 Bicyclo[2.1.0]pentane c185944  
1459 C5H8 Spiropentane c157404  
1460 C4H9N Cyclobutylamine cbam  
1461 C4H9N Pyrrolidine pyrrolidine  
1462 C3H10N2 1,2-Diaminopropane diampr12  
1463 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1464 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1465 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1466 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1467 NH(C2H5)2 diethylamine dea  
1468 NC4H12+ tetramethyl ammonium cation nc4h12+  
1469 C3O2 Carbon suboxide c3o2  
1470 C3O2+ Carbon suboxide cation c3o2+  
1471 B2O3 diboron trioxide b2o3  
1472 MgCO3 Magnesium Carbonate mgco3  
1473 BeCO3 Beryllium Carbonate beco3  
1474 CaCO3 Calcium Carbonate caco3  
1475 ONONO Nitrosyl nitrite onono  
1476 PO4--- phosphate po4---  
1477 SO4-- sulfate so4--  
1478 HOONO2 peroxy nitric acid hoono2  
1479 HSO4- bisulfate anion hso4-  
1480 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1481 C3H2O2 Propiolic acid c3h2o2  
1482 CHOCOOH oxo acetic acid oaa  
1483 CHOOCHO diformyl ether choocho  
1484 H2SeO4 Selenic acid h2seo4  
1485 C3H3NO Isoxazole isox  
1486 C3H3NO Oxazole oxazole  
1487 C3H3NS Thiazole thiazole  
1488 CH3C(O)OO acetyl peroxy radical ch3coo2  
1489 CH3NO3 Methyl nitrate ch3no3  
1490 H3PO4 Phosphoric Acid h3po4  
1491 C4H4O Furan furan  
1492 C4H4O+ Furan cation furan+  
1493 CH3COCCH 3-butyn-2-one c1423605  
1494 C4H4S Thiophene furans  
1495 C4H4Se selenophene c4h4se  
1496 C3H4O2 β–Propiolactone beta  
1497 C3H4O2 2-Propenoic acid propenoic2  
1498 C3H4O2 Methyl glyoxal megly  
1499 C3H4O2 propanedial propanedial  
1500 C3H4O2 propenalol propenalol  
1501 HOCHCCHOH allenediol aldiol  
1502 C2H4O3 1,2,3-trioxolane c2h4o3  
1503 C2H4O3 trioxolane124 triox  
1504 HOCH2COOH Hydroxyacetic acid hac  
1505 CH2CHCONH2 Acrylamide c79061  
1506 CH3OCH2CN Methoxyacetonitrile c1738369  
1507 CH5N3S Hydrazinecarbothioamide c79196  
1508 H2NCH2COOH Glycine glycine  
1509 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1510 C4H6O cis-2-butenal butenal2c  
1511 C4H6O Cyclobutanone cbutone  
1512 C4H6O Furan, 2,3-dihydro- furan23h  
1513 C4H6O Furan, 2,5-dihydro- furan25h  
1514 CH2CHOCHCH2 Vinyl ether vinylether  
1515 CHOCHCHCH3 2-Butenal butenal2  
1516 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1517 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1518 CH2CHSCHCH2 Divinyl sulfide divis  
1519 C2H6N2O Urea, methyl- c598505  
1520 C3H6O2 1,3-Dioxolane dioxolane  
1521 CH3CH2COOH Propanoic Acid propanoic  
1522 CH3COOCH3 methyl acetate aame  
1523 HCOOC2H5 Ethyl formate faee  
1524 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1525 C3H7NO dimethylformamide dmf  
1526 C3H7NO Propanamide propanam  
1527 C2H3OC2H5 Ethene, ethoxy- c109922  
1528 C4H8O Cyclobutanol c2919235  
1529 C4H8O Furan, tetrahydro- thf  
1530 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1531 CH3COCH2CH3 2-Butanone buta2one  
1532 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1533 CHOCH2CH2CH3 Butanal butanal  
1534 C4H8S Thiophene, tetrahydro- tht  
1535 C3H8O2 1,3-Propanediol c504632  
1536 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1537 C3H8O2 Methane, dimethoxy- c109875  
1538 C3H8O2 Propylene glycol c57556  
1539 C3H8S2 1,3-Propanedithiol c109808  
1540 C4H10O 1-Butanol butanol1  
1541 C4H10O 1-Propanol, 2-methyl- c78831  
1542 C4H10O 2-Butanol, (.+/-.)- butanol2  
1543 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1544 C4H10O Ethoxy ethane etoet  
1545 C4H10O Methyl propyl ether meopr  
1546 C4H10O Propane, 2-methoxy- c598538  
1547 C4H10O+ 1-Butanol cation butanol1+  
1548 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1549 C2H5SC2H5 Diethyl sulfide etset  
1550 C4H9SH 1-Butanethiol bush  
1551 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1552 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1553 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1554 FNO3 Fluorine nitrate fno3  
1555 ClONO2 Chlorine nitrate clono2  
1556 BrONO2 Bromine nitrate brono2  
1557 TiCl4 Titanium tetrachloride ticl4  
1558 ClO4- perchlorate anion clo4-  
1559 BF4- tetrafluoroboron anion bf4-  
1560 ClFO3 Perchloryl fluoride clfo3  
1561 SO2F2 Sulfuryl fluoride so2f2  
1562 SO2Cl2 Sulfuryl chloride so2cl2  
1563 F3NO Nitrogen trifluoride oxide f3no  
1564 F3PO Phosphoryl fluoride pf3o  
1565 Cl3PO Phosphoryl chloride pcl3o  
1566 CF4 Carbon tetrafluoride cf4  
1567 CF3Cl Methane, chlorotrifluoro- cf3cl  
1568 SiF4 Silicon tetrafluoride sif4  
1569 TiF4 Titanium tetrafluoride tif4  
1570 CFCl3 Trichloromonofluoromethane cfcl3  
1571 CF3Br Bromotrifluoromethane cf3br  
1572 GeF4 Germanium tetrafluoride gef4  
1573 CCl4 Carbon tetrachloride ccl4  
1574 CCl4+ Carbon tetrachloride cation ccl4+  
1575 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1576 SiCl4 Silane, tetrachloro- sicl4  
1577 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1578 CF3I trifluoroiodomethane cf3i  
1579 CBrCl3 Methane, bromotrichloro- cbrcl3  
1580 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1581 GeCl4 Germanium Tetrachloride gecl4  
1582 CBr2ClF dibromochlorofluoromethane cbr2clf  
1583 CBr2Cl2 dibromodichloromethane cbr2cl2  
1584 CCl3I trichloroiodomethane ccl3i  
1585 CFBr3 fluorotribromomethane cfbr3  
1586 CFClBrI fluorochlorobromoiodomethane cfclbri  
1587 CBr3Cl tribromochloromethane cbr3cl  
1588 CF2I2 difluorodiiodomethane cf2i2  
1589 CBr4 Carbon tetrabromide cbr4  
1590 CCl2I2 dichlorodiiodomethane ccl2i2  
1591 SiBr4 Silicon tetrabromide sibr4  
1592 CBr3I tribromoiododmethane cbr3i  
1593 GeBr4 Germanium tetrabromide gebr4  
1594 CI4 tetraiodomethane ci4  
1595 SiI4 silicon tetraiodide sii4  
1596 ClOF3 Chlorine trifluoride oxide clof3  
1597 SeF4 Selenium tetrafluoride sef4  
1598 SCl4 Sulfur tetrachloride scl4  
1599 C2HF3 Trifluoroethylene c2hf3  
1600 C2HF3+ Trifluoroethylene cation c2hf3+  
1601 CHClCCl2 Trichloroethylene chclccl2  
1602 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1603 HSO3F Fluorosulfonic acid hso3f  
1604 CF3OH trifluoromethanol cf3oh  
1605 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1606 CHClCCHCl 1,3-dichloroallene chclcchcl  
1607 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1608 CHCl2CHO dichloroacetaldehyde chcl2cho  
1609 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1610 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1611 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1612 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1613 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1614 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1615 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1616 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1617 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1618 NH3BCl3 Amminetrichloroboron nh3bcl3  
1619 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1620 C3H5ClO Oxirane, (chloromethyl)- c106898  
1621 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1622 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1623 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1624 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1625 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1626 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1627 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1628 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1629 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1630 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1631 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1632 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1633 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1634 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1635 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1636 C4H9F 1-fluorobutane butaf1  
1637 CH3CHFCH2CH3 2-fluorobutane butaf2  
1638 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1639 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1640 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1641 XeF4 Xenon tetrafluoride xef4  
1642 C2H2N2O Furazan furazan  
1643 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1644 NH3BF3 Amminetrifluoroboron nh3bf3  
1645 C6H2 hexatriyne c6h2  
1646 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1647 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1648 C6H4 Benzyne benzyne  
1649 C6H5 phenyl phenyl  
1650 C6H5- phenyl anion phenyl-  
1651 C6H6 Prismane prismane  
1652 C6H6 1,2,4,5-Hexatetraene ht1245  
1653 C6H6 2,4-Hexadiyne hexadiyne  
1654 C6H6 3,4-Dimethylenecyclobutene cb34m  
1655 C6H6 Benzene benzene  
1656 C6H6 Benzvalene bv  
1657 C6H6 Dewar Benzene dewar  
1658 C6H6 Hexa-1,5-diene-3-yne hdy153  
1659 C6H6 Trimethylenecycopropane tmcp  
1660 C6H6+ Benzene cation c6h6+  
1661 C6H7+ benzene, protonated c6h7+  
1662 C6H8 (E)-hexa-1,3,5-triene c821078  
1663 C6H8 (E)-hexa-2,3,4-triene c59660650  
1664 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1665 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1666 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1667 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1668 C6H8 3-Methylenecyclopentene c930267  
1669 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1670 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1671 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1672 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1673 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1674 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1675 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1676 C6H10 1,5-Hexadiene c592427  
1677 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1678 C6H10 1-Hexyne hexyne1  
1679 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1680 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1681 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1682 C6H10 2-Hexyne c764352  
1683 C6H10 3-Hexyne hexyne3  
1684 C6H10 cyclohexene cyclohexene  
1685 C6H10 Cyclopentene, 1-methyl- c693890  
1686 C6H10 Cyclopentene, 3-methyl- c1120623  
1687 C6H10 Cyclopentene, 4-methyl- c1759815  
1688 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1689 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1690 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1691 C6H12 (E)-2-Hexene e2hexene  
1692 C6H12 (E)-3-methylpent-2-ene c616126  
1693 C6H12 (E)-hex-3-ene e3hexene  
1694 C6H12 (Z)-3-methylpent-2-ene c922623  
1695 C6H12 (Z)-hex-2-ene z2hexene  
1696 C6H12 (Z)-hex-3-ene z3hexene  
1697 C6H12 2,3-dimethylbut-1-ene c563780  
1698 C6H12 2,3-dimethyl-but-2-ene tmeet  
1699 C6H12 3-methylenepentane c760214  
1700 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1701 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1702 C6H12 Cyclohexane cyclohexane  
1703 C6H12 Cyclopentane, methyl- c96377  
1704 C6H12 Ethylcyclobutane c4806615  
1705 C6H12 hex-1-ene hexene1  
1706 C6H14 Butane, 2,2-dimethyl- buta22  
1707 C6H14 Butane, 2,3-dimethyl- buta23  
1708 C6H14 Hexane hexane  
1709 C6H14 Pentane, 2-methyl- penta2  
1710 C6H14 Pentane, 3-methyl- penta3  
1711 C4N2 2-Butynedinitrile c4n2  
1712 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1713 C4H2N2 Fumaronitrile c4h2n2  
1714 C2H2N4 sym-tetrazine ttz  
1715 C3H3N3 1,3,5-Triazine triazine135  
1716 CH3N5 5-Aminotetrazole c4418615  
1717 C4H4N2 1,3-Diazine diazine13  
1718 C4H4N2 Pyrazine pyrazine  
1719 C4H4N2 Pyridazine pyridazine  
1720 C4H4N2 Succinonitrile c110612  
1721 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1722 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1723 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1724 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1725 C5H5N E-2,4-pentadienenitrile bdcn  
1726 C5H5N Pyridine pyridine  
1727 B3N3H6 borazine borazine  
1728 C6H6 Fulvene fulvene  
1729 C5H6N+ Pyridinium c5h6n  
1730 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1731 C5H7N (E)-2-Pentenenitrile c26294984  
1732 C5H7N (E)-3-Pentenenitrile c16529661  
1733 C5H7N (Z)-2-Pentenenitrile c25899507  
1734 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1735 C5H7N Cyclobutanecarbonitrile c4426113  
1736 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1737 C5H9N Butanenitrile, 2-methyl- c18936179  
1738 C5H9N Pentanenitrile c110598  
1739 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1740 C6H10 Bicyclo[3.1.0]hexane c285585  
1741 C5H11N Cyclopentanamine cypentam  
1742 C5H11N Piperidine piper  
1743 C4H12N2 1,2-Butanediamine c4426486  
1744 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1745 Li2CO3 Lithium Carbonate li2co3  
1746 Na2CO3 Sodium Carbonate na2co3  
1747 C2O4-- oxalate anion c2o4  
1748 MgSO4 Magnesium Sulfate mgso4  
1749 N2O4 Dinitrogen tetroxide n2o4  
1750 C3H2O3 vinylene carbonate vica  
1751 C2H2O4 Oxalic Acid oxalic  
1752 C2H3NO3 Oxamic acid oxamic  
1753 C4H4O2 2(5H)-Furanone furanone  
1754 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1755 C2H4N2O2 Oxalamide oxalamide  
1756 C2H4N2S2 Ethanedithioamide c79403  
1757 C2H4CO3 Ethylene carbonate etco3  
1758 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1759 C3H4S3 1,3-Dithiolane-2-thione c822388  
1760 C2H4O4 Formic acid dimer fadimer  
1761 C4H5NO 3-Methylisoxazole isox3m  
1762 C4H5NO Isoxazole, 5-methyl- c5765446  
1763 C4H5NS 4-Methylthiazole c693958  
1764 C2H5NO3 Nitric acid, ethyl ester c625581  
1765 C5H6O 2H-Pyran pyran2  
1766 C5H6O 2-methylfuran furan2m  
1767 C5H6O 3-Methylfuran furan3m  
1768 C5H6O Pentadienal pdal  
1769 C5H6S Thiophene, 2-methyl- c554143  
1770 C5H6S Thiophene, 3-methyl- c616444  
1771 C4H6O2 γ–Butyrolactone c96480  
1772 C4H6O2 2,3-Butanedione c431038  
1773 C4H6O2 2-Propenoic acid, methyl ester c96333  
1774 C4H6O2 Crotonic Acid crot  
1775 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1776 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1777 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1778 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1779 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1780 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1781 C4H6OS Vinyl sulfoxide c1115157  
1782 CH6N4S Carbonothioic dihydrazide thiacarb  
1783 C2H6N2O2 (E)-Azodioxymethane c37765154  
1784 C2H6N2O2 Dimethylnitroamine c4164287  
1785 C3H6O3 1,3,5-Trioxane trioxane  
1786 C3H6S3 1,3,5-Trithiane c3h6s3  
1787 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1788 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1789 C4H7NO 2-Pyrrolidinone c616455  
1790 C4H7NO Ethoxyacetonitrile etoaccn  
1791 C4H7NO Methacrylamide c79390  
1792 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1793 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1794 C3H7ONO Propyl nitrite prono  
1795 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1796 CH3CH(NH2)COOH Alanine alanine  
1797 CH3NHCH2COOH Sarcosine sarcosine  
1798 NH2CH2CH2COOH β–alanine betaalanine  
1799 NH2COOC2H5 Urethane urethane  
1800 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1801 C5H8O Cyclopentanone c120923  
1802 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1803 C5H8O Methyl cyclopropyl ketone c765435  
1804 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1805 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1806 NH2CONHC2H5 Urea, ethyl- c625525  
1807 C4H8O2 1,3-Dioxane dioxan13  
1808 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1809 C4H8O2 1,4-Dioxane dioxan14  
1810 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1811 C4H8O2 Ethyl acetate c141786  
1812 C4H8OS s-Ethyl thioacetate c625605  
1813 C3H8O3 1,2,3-Propanetriol glycerin  
1814 C3H8O2S (Methylsulfonyl)ethane c594434  
1815 C4H9NO Butanamide c541355  
1816 C4H9NO Propanamide, 2-methyl- c563837  
1817 C5H10O 2-Butanone, 3-methyl- c563804  
1818 C5H10O 2H-Pyran, tetrahydro- c142687  
1819 C5H10O 2-methylbutyraldehyde 2meba  
1820 C5H10O 2-Pentanone mpk  
1821 C5H10O 3-Pentanone dek  
1822 C5H10O Cyclopentanol c96413  
1823 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1824 C5H10O Pentanal pal  
1825 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1826 C5H10S 3-Ethylthio-1-propene c5296628  
1827 C5H10S Cyclopentanethiol c1679078  
1828 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1829 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1830 C4H10O2 1,1-Dimethoxyethane c534156  
1831 C4H10O2 1,3-Butanediol budiol13  
1832 C4H10O2 1,4-Butanediol budiol14  
1833 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1834 C4H10OS Diethyl sulfoxide c70291  
1835 C4H10S2 1,4-Butanedithiol budisl14  
1836 C4H11NO Diethylhydroxylamine c3710847  
1837 C5H12O 1-Butanol, 2-methyl- c137326  
1838 C5H12O 1-Butanol, 3-methyl- c123513  
1839 C5H12O 1-Pentanol pentanol1  
1840 C5H12O 2-Butanol, 3-methyl- c598754  
1841 C5H12O 2-Pentanol peol2  
1842 C5H12O 3-Pentanol pentan3ol  
1843 C5H12O Butane, 1-methoxy- meobu  
1844 C5H12O Propane, 1-ethoxy- proet  
1845 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1846 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1847 C5H12S 1-Butanethiol, 3-methyl- c541311  
1848 C5H12S 1-Pentanethiol c110667  
1849 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1850 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1851 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1852 C5H12S Butane, 1-(methylthio)- c628295  
1853 C5H12S Ethyl propyl sulfide c4110503  
1854 C5H12S Propane, 2-(ethylthio)- c5145993  
1855 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1856 C4F2 difluorobutadiyne c4f2  
1857 ClCOClCO Oxalyl chloride oxcl  
1858 CF3CN Acetonitrile, trifluoro- cf3cn  
1859 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1860 B2F4 Diboron tetrafluoride b2f4  
1861 B2Cl4 Diboron tetrachloride b2cl4  
1862 C2F4 Tetrafluoroethylene c2f4  
1863 C2F4+ Tetrafluoroethylene cation c2f4+  
1864 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1865 CF2CCl2 difluorodichloroethylene cf2ccl2  
1866 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1867 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1868 C2FCl3 fluorotrichloroethene c2fcl3  
1869 C2Cl4 Tetrachloroethylene c2cl4  
1870 C2Br4 tetrabromoethene c2br4  
1871 CF3OF Trifluoromethylhypofluorite cf3of  
1872 AsF5 Arsenic pentafluoride asf5  
1873 PCl5 Phosphorus pentachloride pcl5  
1874 SF5 Sulfur pentafluoride sf5  
1875 SF5+ pentafluoro sulfur cation sf5+  
1876 SbCl5 Antimony pentachloride sbcl5  
1877 BrF5 bromine pentafluoride brf5  
1878 ClF5 chlorinepentafluoride clf5  
1879 IF5 pentafluoroiodine if5  
1880 CF3CHO trifluoroacetaldehyde cf3cho  
1881 CCl3CHO trichloroacetaldehyde ccl3cho  
1882 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1883 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1884 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1885 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1886 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1887 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1888 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1889 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1890 CF3COOH trifluoroacetic acid cf3cooh  
1891 C4H3ClO Furan, 2-chloro fur2cl  
1892 C4H3ClO Furan,3-chloro fur3cl  
1893 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1894 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1895 C4H8Cl2 1,4-Dichlorobutane c110565  
1896 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1897 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1898 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1899 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1900 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1901 C5H11Cl Pentane, 1-chloro- pencl1  
1902 C4H8O2 Butanoic acid bua  
1903 C6H5CH2 benzyl radical benzyl  
1904 C7H7 cycloheptatrienyl radical c7h7  
1905 C7H7+ cycloheptatrienyl cation c7h7+  
1906 C6H5CH3 toluene toluene  
1907 C7H8 cycloheptatriene cht  
1908 C7H8 Norbornadiene norbor  
1909 C7H8 Quadricyclane qucy  
1910 C7H12 Norbornane nor  
1911 C7H14 cycloheptane c7h14  
1912 C7H16 2-methylhexane 2mhex  
1913 C7H16 3-methylhexane hex3m  
1914 C7H16 heptane heptane  
1915 CH(CN)3 tricyanomethane mecn3  
1916 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1917 C6H7N 2-Methylpyridine mp  
1918 C6H5NH2 aniline aniline  
1919 C6H13N 2-Methylpiperidine pip2m  
1920 C6H13N cyclohexanamine cham  
1921 C6H15N triethylamine tea  
1922 N2O5 Dinitrogen pentoxide n2o5  
1923 C4H2O3 Maleic Anhydride malan  
1924 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1925 C5H4O2 furfural furfural  
1926 C6H5O phenoxy radical phenoxy  
1927 C5H5NO 2(1H)-Pyridinone c72762006  
1928 C5H5NO 2(3H)-Pyridinone c9000048  
1929 C5H5NO 2(5H)-Pyridinone c9000037  
1930 C5H5NO 2-Pyridinol c109104  
1931 C5H5NO 3(2H)-Pyridinone c9000004  
1932 C5H5NO 3(4H)-Pyridinone c9000026  
1933 C5H5NO 3(6H)-Pyridinone c9000015  
1934 C5H5NO 3-Pyridinol c109002  
1935 C5H5NO 4(1H)-Pryidinone c9000060  
1936 C5H5NO 4(3H)-Pryidinone c9000059  
1937 C5H5NO 4-Pyridinol c626642  
1938 C6H5OH phenol phenol  
1939 C6H6O 2,4-Cyclohexadienone c24599573  
1940 C6H6O 2,5-Cyclohexadienone c5664335  
1941 C6H5SH Benzenethiol phsh  
1942 HO2CCHNH2CH2OH Serine serine  
1943 C5H8O2 Acetylacetone acac  
1944 C4H8O2S Sulfolane sulfolane  
1945 C7H10 Norbornene norbornene  
1946 CH(C2H3)3 trivinyl methane tvm  
1947 C6H10O cyclohexanone chexo  
1948 C6H12O hexanal c6h12o  
1949 C6H12O Oxepane oxepane  
1950 C3H7OC3H7 di-n-propyl ether propr  
1951 F2CCCF2 tetrafluoroallene pfa  
1952 CF3COO- trifluoro acetate anion cf3coo-  
1953 CF3COF trifluoroacetyl fluoride cf3cof  
1954 CF3COCl trifluoroacetyl chloride cf3cocl  
1955 PF6 Hexafluorophosphate neutral pf6  
1956 SF6 Sulfur Hexafluoride sf6  
1957 SeF6 Selenium hexafluoride sef6  
1958 CF3CHF2 pentafluoroethane cf3chf2  
1959 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1960 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1961 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1962 CCl3CHCl2 pentachloroethane ccl3chcl2  
1963 C6H5F Fluorobenzene bzf  
1964 C6H5Cl chlorobenzene bzcl  
1965 C6H5Br bromobenzene bzbr  
1966 C8H6 Calicene calicene  
1967 C6H5CCH phenylacetylene phac  
1968 C8H6 benzocyclobutadiene bcbd  
1969 C8H6 Pentalene pentalene  
1970 C6H5CHCH2 Styrene styrene  
1971 C8H8 cubane cubane  
1972 C8H8 cyclooctatetraene cot  
1973 C6H5CH2CH3 Ethylbenzene etbz  
1974 CH3C6H4CH3 meta-xylene mxylene  
1975 CH3C6H4CH3 paraxylene pxylene  
1976 C8H14 Bicyclo[2.2.2]octane bico222  
1977 C8H16 cyclooctane cyclooct  
1978 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1979 C8H18 Octane c8h18  
1980 C6H5CN phenyl cyanide phcn  
1981 C6H12N2 Triethylenediamine ted  
1982 C4O4-- squarate dianion c4o4--  
1983 S4N4 Tetrasulfur tetranitride s4n4  
1984 S8 Octasulfur s8  
1985 C6H4O2 parabenzoquinone pbq  
1986 C4H4N2O2 Uracil uracil  
1987 C6H5CHO benzaldehyde benzal  
1988 C6H5OCH3 Anisole anisole  
1989 C5H9NO2 Proline proline  
1990 C6H12O2 Methyl pivalate c598981  
1991 C6H12O2 Hexanoic acid hexa  
1992 C4F4 tetrafluorcyclobutadiene c4f4  
1993 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1994 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1995 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1996 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1997 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1998 C2F6 hexafluoroethane c2f6  
1999 C2Cl6 hexachloroethane c2cl6  
2000 IF7 Iodine heptafluoride if7  
2001 C6H4F2 metadifluorobenzene mdfb  
2002 C6H4F2 orthodifluorobenzene odfb  
2003 C6H4F2 1,4-difluorobenzene pdfb  
2004 C6H4Cl2 1,2-dichlorobenzene dcb12  
2005 C6H4Cl2 1,3-dichlorobenzene dcb13  
2006 C6H4Cl2 1,4-dichlorobenzene dcb14  
2007 C6H5NO nitrosobenzene bzno  
2008 C9H8 Indene indene  
2009 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2010 C9H12 n-propyl benzene prbz  
2011 C9H20 Nonane nonane  
2012 C(CN)4 tetracyanomethane c5n4  
2013 C5H4N4 purine purine  
2014 C8H7N Indole indole  
2015 C3H3N3O3 cyanuric acid cyanuric  
2016 C6H5NO2 Nitrobenzene c6h5no2  
2017 C6H5COOH benzoic acid benzo  
2018 CH3COC6H5 acetophenone acph  
2019 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2020 C3F6 hexafluoropropene c3f6  
2021 C6H3F3 Benzene trifluoride 123 bzf3a  
2022 C8H18O 1-Octanol octanol  
2023 C10H8 Azulene azu  
2024 C10H8 naphthalene naph  
2025 C10H10 bullvalene bullv  
2026 C10H16 adamantane adamantane  
2027 C6N4 Tetracyanoethylene tcne  
2028 C6N4- tetracyanoethylene anion tcne-  
2029 C10H22 Decane decane  
2030 C4F6 perfluorobutadiene c4f6  
2031 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2032 C3F8 perfluoropropane c3f8  
2033 Fe(CO)5 Iron pentacarbonyl ipc  
2034 Fe(C5H5)2 ferrocene fecp2  
2035 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2036 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2037 C12H8 Acenaphthylene acenaph  
2038 C12H8 biphenylene biph  
2039 C12H10 biphenyl biphenyl  
2040 C12H10 Heptalene heptalene  
2041 C6H12O6 Inositol inositol  
2042 C6F6 hexafluorobenzene c6f6  
2043 S2F10 disulphur decafluoride s2f10  
2044 C13H10 Fluorene fluorene  
2045 C14H10 Anthracene anth  
2046 C14H10 Phenanthrene phenanthrene  
2047 C14H14 Bibenzyl bibenzyl  
2048 C12H10N2 azobenzene azobenzene  
2049 C6H5COC6H5 benzophenone benzophenone  
2050 C16H10 Pyrene pyrene  
2051 C18H12 Tetracene tetracene  
2052 C19H16 Triphenylmethane tpm  
2053 C24H12 Coronene coronene  
2054 C60 Buckminsterfullerene c60