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List of which calculations are completed at B2PLYP=FULL /cc-pV(T+d)Z

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count Species Name State Conformation
1 Si Silicon atom 3PKh
2 SiH3 Silyl radical 2A1C3v
3 SiH4 Silane 1A1Td
4 P Phosphorus atom 4SKh
5 PH3 Phosphine 1A1C3v
6 PH4+ phosphonium cation   
7 S Sulfur atom 3PKh
8 HS Mercapto radical 2ΠC∞v
9 H2S Hydrogen sulfide 1A1C2v
10 H2S+ Hydrogen sulfide cation 2B1C2v
11 H3S+ Sulfonium cation 1A1C3v
12 HCl Hydrogen chloride 1ΣC∞v
13 HCl+ hydrogen chloride cation 2ΠC∞v
14 H2Cl+ dihydrogen monochloride cation 1A1C2v
15 BAl Boron Aluminum 3ΣC∞v
16 AlC Aluminum carbide 4ΣC∞v
17 Si2H6 disilane 1EuD3d
18 SiP Silicon monophosphide 2ΠC∞v
19 CH2PH Phosphaethene 1A'Cs
20 BH3PH3 borane phosphine   
21 LiS Lithium monosulfide 2ΠC∞v
22 CaS Calcium sulfide 1ΣC∞v
23 GeO Germanium monoxide 1ΣC∞v
24 SiSe Silicon Monoselenide   
25 PO Phosphorus monoxide 2ΠC∞v
26 PS phosphorus sulfide 2ΣC∞v
27 SO Sulfur monoxide 3ΣC∞v
28 S2 Sulfur diatomic 3ΣgD∞h
29 Se2 Selenium diatomic 3ΣgD∞h
30 HSO+ Sulfur Monoxide, S-protonated   
31 SOH Sulfur Hydroxide   
32 SOH+ Sulfur Monoxide, protonated   
33 H2CS Thioformaldehyde 1A1C2v
34 H2CSe Selenoformaldehyde   
35 H2S2 Disulfane 1AC2
36 H2S2+ hydrogen disulfide cation 2BgC2h
37 H2CSH+ Thioformaldehyde, protonated 1A'Cs
38 CH3SH Methanethiol 1A'Cs
39 CH3SH2+ protonated methylsulfide 1A'Cs
40 LiCl lithium chloride 1ΣC∞v
41 AlCl Aluminum monochloride 1ΣC∞v
42 SiF silicon monofluoride 2ΠC∞v
43 SiF+ silicon monofluoride cation 1ΣC∞v
44 NCl nitrogen monochloride 3ΣC∞v
45 ClO Monochlorine monoxide 2ΠC∞v
46 SF Monosulfur monofluoride 2ΠC∞v
47 SF+ sulfur monofluoride cation 3ΣC∞v
48 SCl sulfur monochloride 2ΠC∞v
49 SCl+ sulfur monochloride cation 3ΣgC∞v
50 SBr Sulfur monobromide radical   
51 Cl2- chlorine diatomic anion 2ΣuD∞h
52 Cl2+ chlorine diatomic cation 2ΠgD∞h
53 CH3Cl Methyl chloride 1A1C3v
54 SiH3Cl chlorosilane 1A1C1
55 Si3H8 trisilane   
56 Li2S dilithium sulfide 1ΣGD∞h
57 Li2S dilithium sulfide 1A1C2v
58 OCS Carbonyl sulfide 1ΣC∞v
59 SiS2 Silicon disulfide 1ΣGD∞h
60 NSO sulfinyl amidogen   
61 SNO Nitrogen oxide sulfide   
62 SO2 Sulfur dioxide 1A1C2v
63 S3 Sulfur trimer   
64 S3+ Sulfur trimer cation 2B2C2v
65 CH2CS Thioketene   
66 C2H4S Thiirane 1A1C2v
67 CH3CHS Thioacetaldehyde 1A'C1
68 CH3SSH Hydrogen methyl disulfide   
69 CH3CH2SH ethanethiol 1A'Cs
70 FNS Thionitrosyl fluoride 1A'Cs
71 FSN Thiazyl fluoride 1A'Cs
72 OPCl Phosphorus oxychloride   
73 GeCl2 Germanium dichloride 1A1C2v
74 OClO Chlorine dioxide 2B1D∞h
75 ClSO Sulfur chloride oxide 2A"Cs
76 FClO chlorosyl fluoride 1A'Cs
77 ClOF Chlorine hypofluorite 1A'Cs
78 SF2 sulfur difluoride 1A1C2v
79 SeCl2 Selenium Dichloride   
80 SBr2 Sulfur dibromide   
81 SeBr2 Selenium dibromide   
82 CH2F2 Methane, difluoro- 1A1C2v
83 CH2Cl2 Methylene chloride 1A1C2v
84 S2N2 Disulfur dinitride 1AGD2h
85 CS3-- Carbonotrithioate   
86 SO3 Sulfur trioxide 1A1'D3h
87 S4 Sulfur tetramer   
88 S4 Sulfur tetramer   
89 S4 Sulfur tetramer   
90 H3AlO3 Aluminum hydroxide   
91 CH3CSNH2 Ethanethioamide   
92 ClO2F Chloryl fluoride 1A'Cs
93 SSCl2 Thiothionyl chloride   
94 ClF3 Chlorine trifluoride 1A1'D3h
95 ClF3 Chlorine trifluoride 1A1C2v
96 HClO3 Chloric Acid 1AC1
97 C2H6O2S Dimethyl sulfone 1A1C2v
98 CF2Cl2 difluorodichloromethane 1A1C2v
99 SF4 Sulfur tetrafluoride 1A1C2v
100 SiH3CCl3 (trichloromethyl)silane 1A1C3v
101 SiF5- silicon pentafluoride anion   
102 SOF4 Sulfur tetrafluoride oxide 1A1C2v
103 PF5 Phosphorus pentafluoride 1A1'D3h
104 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
105 PF6- Hexafluorophosphate ion 1A1GOh
106 SF5Cl sulfur chloropentafluoride 1A1C4v
107 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si- Silicon atom anion si-  
110 Si+ Silicon atom cation si+  
111 Ti Titanium atom ti  
112 Ti- Titanium atom anion ti-  
113 Ti+ Titanium atom cation ti+  
114 Ge Germanium atom ge  
115 Ge- Germanium anion ge-  
116 Ge+ Germanium cation ge+  
117 Sn Tin atom sn  
118 Sn+ Tin cation sn+  
119 CH Methylidyne ch  
120 CH- methylidyne anion ch-  
121 CH+ Methylidyne cation ch+  
122 SiH Silylidyne sih  
123 SiH- silicon monohydride anion sih-  
124 SiH+ silicon monohydride cation sih+  
125 GeH germylidene geh  
126 GeH+ Germaniun monohyrdide cation geh+  
127 CH2 Methylene ch2  
128 CH2- methylene anion ch2-  
129 CH2+ methylene cation ch2+  
130 SiH2 silicon dihydride sih2  
131 SiH2- silicon dihydride anion sih2-  
132 SiH2+ silicon dihydride cation sih2+  
133 GeH2 germylene geh2  
134 GeH2- germylene anion geh2-  
135 CH3 Methyl radical ch3  
136 CH3- methyl anion ch3-  
137 CH3+ methyl cation ch3+  
138 SiH3- Silyl anion sih3-  
139 SiH3+ Silyl cation sih3+  
140 GeH3 Germyl radical geh3  
141 GeH3+ germyl cation geh3+  
142 CD4 methane-d4 cd4  
143 CH2D2 methane-d2 ch2d2  
144 CH3D methane-d ch3d  
145 CH4 Methane ch4  
146 CH4- Methane anion ch4-  
147 CH4+ Methane cation ch4+  
148 CHD3 methane-d3 chd3  
149 SiH2D2 silane-d2 sih2d2  
150 SiH4+ Silane cation sih4+  
151 GeH4 Germane geh4  
152 SnH4 Stannane snh4  
153 SiH5+ Silane, protonated sih5+  
154 N Nitrogen atom n  
155 N- Nitrogen atom anion n-  
156 N+ Nitrogen atom cation n+  
157 P- Phosphorus atom anion p-  
158 P+ Phosphorus atom cation p+  
159 V Vanadium atom v  
160 V+ Vanadium atom cation v+  
161 As Arsenic atomic as  
162 As- Arsenic anion as-  
163 As+ Arsenic cation as+  
164 Sb Antimony atom sb  
165 NH Imidogen nh  
166 NH- Imidogen anion nh-  
167 NH+ imidogen cation nh+  
168 PH phosphorus monohydride ph  
169 PH- phosphorus monohydride anion ph-  
170 PH+ phosphorus monohydride cation ph+  
171 AsH Arsenic monohydride ash  
172 AsH+ Arsenic monohydride cation ash+  
173 SbH Antimony monohydride sbh  
174 ND2 Amidogen-d2 nd2  
175 NH2 Amino radical nh2  
176 NH2- amino anion nh2-  
177 NH2+ Amino cation nh2+  
178 PH2 Phosphino radical ph2  
179 PH2- Phosphino anion ph2-  
180 PH2+ Phosphino cation ph2+  
181 AsH2 Arsenic dihydride ash2  
182 AsH2+ Arsenic dihydride cation ash2+  
183 ND3 Ammonia-d3 nd3  
184 NH3 Ammonia nh3  
185 NH3- Ammonia anion nh3-  
186 NH3+ ammonia cation nh3+  
187 PH3+ Phosphine cation ph3+  
188 AsH3 Arsine ash3  
189 AsH3+ Arsine cation ash3+  
190 SbH3 Stibine sbh3  
191 AsH4+ Arsonium ash4+  
192 NH4 Ammonium radical nh4  
193 NH4+ ammonium cation nh4+  
194 PH4 Phosphoranyl radical ph4  
195 O Oxygen atom o  
196 O- Oxygen atom anion o-  
197 O+ Oxygen atom cation o+  
198 S- Sulfur atom anion s-  
199 S+ Sulfur atom cation s+  
200 Cr Chromium atom cr  
201 Se Selenium atom se  
202 Se- Selenium atom anion se-  
203 Se+ Selenium atom cation se+  
204 Te Tellurium atom te  
205 Te+ Tellurium atom cation te+  
206 DO Hydroxyl-d od  
207 OH Hydroxyl radical oh  
208 OH- hydroxide anion oh-  
209 OH+ hydoxyl cation oh+  
210 DS Mercapto-d ds  
211 HS- mercapto anion sh-  
212 HS+ sulfur monohydride cation sh+  
213 CrH Chromium hydride crh  
214 CrH+ Chromium hydride cation crh+  
215 HSe Selenium monohydride hse  
216 HSe- selenium monohydride anion hse-  
217 HSe+ selenium monohydride cation hse+  
218 TeH Telluryl radical teh  
219 D2O Deuterium oxide d2o  
220 H2O Water h2o  
221 H2O- water anion h2o-  
222 H2O+ water cation h2o+  
223 HDO Water-d1 hdo  
224 D2S Hydrogen sulfide-d2 d2s  
225 H2S- Hydrogen sulfide anion h2s-  
226 H2Se Hydrogen selenide h2se  
227 H2Se+ Hydrogen selenide cation h2se+  
228 H2Te Hydrogen Telluride h2te  
229 H3O+ hydronium cation h3o+  
230 H3Se+ Hydrogen Selenide, protonated h3se+  
231 F Fluorine atom f  
232 F- Fluorine atom anion f-  
233 F+ Fluorine atom cation f+  
234 Cl Chlorine atom cl  
235 Cl- Chlorine atom anion cl-  
236 Cl+ Chlorine atom cation cl+  
237 Mn Manganese atom mn  
238 Br Bromine atom br  
239 Br- Bromine atom anion br-  
240 Br+ Bromine atom cation br+  
241 I Iodine atom iodine  
242 I- Iodine atom anion iodine-  
243 I+ Iodine atom cation iodine+  
244 DF Hydrofluoric acid-d df  
245 HF Hydrogen fluoride hf  
246 HF- hydrogen fluoride anion hf-  
247 HF+ hydrogen fluoride cation hf+  
248 DCl Hydrochloric acid-d dcl  
249 HCl- hydrogen chloride anion hcl-  
250 HBr hydrogen bromide hbr  
251 HBr- hydrogen bromide anion hbr-  
252 HBr+ hydrogen bromide cation hbr+  
253 HI Hydrogen iodide hi  
254 HI+ Hydrogen iodide cation hi+  
255 H2F+ dihydrogen fluoride cation h2f+  
256 H2Br+ protonated hydrogen bromide h2br+  
257 H2I+ Iodonium h2i+  
258 Ne Neon atom ne  
259 Ne- Neon atom anion ne-  
260 Ne+ Neon atom cation ne+  
261 Ar Argon atom ar  
262 Ar- Argon atom anion ar-  
263 Ar+ Argon atom cation ar+  
264 Fe Iron atom fe  
265 Kr Krypton atom kr  
266 Kr+ Krypton cation kr+  
267 Xe Xenon atom xe  
268 HeLi+ Helium Lithium cation heli+  
269 NeH neon hydrogen neh  
270 NeH+ neon hydrogen cation neh+  
271 ArH+ Argon hydride cation arh+  
272 KrH+ Protonated Krypton krh+  
273 XeH+ Xenon, protonated xeh+  
274 H2Ar H2 Ar dimer h2ar  
275 Co Cobalt atom cobalt  
276 Ni Nickel atom ni  
277 Li2 Lithium diatomic li2  
278 Li2- lithium diatomic anion li2-  
279 Li2+ lithium diatomic cation li2+  
280 NaLi lithium sodium lina  
281 NaLi- lithium sodium anion lina-  
282 NaLi+ lithium sodium cation lina+  
283 LiK Lithium Potassium lik  
284 Na2 Sodium diatomic na2  
285 Na2- sodium diatomic anion na2-  
286 Na2+ sodium diatomic cation na2+  
287 NaK Sodium Potassium nak  
288 NaK+ Sodium Potassium diatomic cation nak+  
289 K2 Potassium diatomic k2  
290 Cu2 Copper diatomic cu2  
291 LiBe Lithium Beryllium libe  
292 LiMg Lithium magnesium limg  
293 NaBe Sodium Beryllium nabe  
294 NaMg Sodium Magnesium namg  
295 Be2 Beryllium diatomic be2  
296 Be2- Beryllium diatomic anion be2-  
297 Be2+ Beryllium diatomic cation be2+  
298 BeMg Beryllium Magnesium bemg  
299 Mg2 Magnesium diatomic mg2  
300 Mg2- magnesium diatomic anion mg2-  
301 Mg2+ magnesium diatomic cation mg2+  
302 Ca2 Calcium diatomic ca2  
303 LiB Lithium boride lib  
304 LiAl Lithium Aluminum lial  
305 NaAl Sodium aluminum naal  
306 BeB Beryllium monoboride beb  
307 B2 Boron diatomic b2  
308 B2- Boron diatomic anion b2-  
309 B2+ Boron diatomic cation b2+  
310 Al2 Aluminum diatomic al2  
311 Al2- aluminum diatomic anion al2-  
312 Al2+ aluminum diatomic cation al2+  
313 BGa Boron Gallium bga  
314 AlGa Aluminum Gallium alga  
315 Ga2 Gallium diatomic ga2  
316 HBBH Diborane(2) hbbh  
317 LiBH4 Lithium borohydride libh4  
318 B2H4 Diborane(4) D2d b2h4  
319 HBHHBH Diborane(4) C2V hbhhbh  
320 B2H6 Diborane b2h6  
321 B2H6+ Diborane cation b2h6  
322 Al2H6 dialane al2h6  
323 Ga2H6 digallane ga2h6  
324 LiC Lithium Carbide lic  
325 BeC Beryllium Carbide bec  
326 CaC Calcium monocarbide cac  
327 BC boron monocarbide bc  
328 BC- boron monocarbide anion bc-  
329 BC+ boron monocarbide cation bc+  
330 BSi Boron silicide bsi  
331 C2 Carbon diatomic c2  
332 C2- carbon diatomic anion c2-  
333 C2+ carbon diatomic cation c2+  
334 SiC silicon monocarbide sic  
335 SiC- silicon monocarbide anion sic-  
336 SiC+ silicon monocarbide cation sic+  
337 Si2 Silicon diatomic si2  
338 Si2- silcon diatomic anion si2-  
339 Si2+ silcon diatomic cation si2+  
340 GeC Germanium monocarbide gec  
341 SiGe Silicon Germanium sige  
342 Ge2 Germanium diatomic ge2  
343 C2H Ethynyl radical c2h  
344 C2H- Ethynyl anion c2h-  
345 C2H+ Ethynyl cation c2h+  
346 ZnCH2 Zinc methylene znch2  
347 C2H2 Acetylene c2h2  
348 C2H2+ acetylene cation c2h2+  
349 CCH2 vinylidene vinylidene  
350 H2CC- vinylidene anion h2cc-  
351 HCCH- acetylene anion c2h2-  
352 Si2H2 disilyne si2h2  
353 CH3Li methyl lithium ch3li  
354 CuCH3 monomethyl copper cuch3  
355 ZnCH3 Zinc monomethyl znch3  
356 CH2BH methyleneborane ch2bh  
357 C2H3 vinyl c2h3  
358 C2H3- vinyl anion c2h3-  
359 C2H3+ vinyl cation c2h3+  
360 C2H4 Ethylene c2h4  
361 C2H4- Ethylene anion c2h4-  
362 C2H4+ Ethylene cation c2h4+  
363 CH3CH methylmethylene ch3ch  
364 CH2SiH2 silaethylene ch2sih2  
365 Si2H4 Disilene si2h4  
366 CH3BH2 methylborane ch3bh2  
367 C2H5 Ethyl radical c2h5  
368 C2H5- Ethyl anion c2h5-  
369 C2H5+ Ethyl cation c2h5+  
370 C2H6 Ethane c2h6  
371 C2H6+ ethane cation c2h6+  
372 CH3SiH3 methyl silane ch3sih3  
373 GeH3CH3 methyl germane geh3ch3  
374 C2H7+ Ethane, protonated c2h7+  
375 LiN Lithium Nitride lin  
376 LiN+ Lithium Nitride cation lin+  
377 LiP Lithium monophosphide lip  
378 BeN Beryllium mononitride ben  
379 BeN- Beryllium mononitride anion ben-  
380 BeN+ Beryllium mononitride cation ben+  
381 MgN Magnesium Nitride mgn  
382 BN- boron nitride anion bn-  
383 AlN- aluminum mononitride anion aln-  
384 AlN+ aluminum mononitride cation aln+  
385 BP Boron monophosphide bp  
386 AlP Aluminum monophosphide alp  
387 GaN Gallium mononitride gan  
388 GaP Gallium monophosphide gap  
389 GaAs Gallium arsenide gaas  
390 BN boron nitride bn  
391 BN+ boron nitride cation bn+  
392 AlN Aluminum nitride aln  
393 CN Cyano radical cn  
394 CN- cyanide anion cn-  
395 CN+ Cyano cation cn+  
396 CP Carbon monophosphide cp  
397 CP- carbon monophosphide anion cp-  
398 CP+ carbon monophosphide cation cp+  
399 SiN Silicon nitride sin  
400 SiN- silicon mononitride anion sin-  
401 SiN+ silicon mononitride cation sin+  
402 SiP- Silicon monophosphide anion sip-  
403 SiP+ Silicon monophosphide cation sip+  
404 TiN Titanium mononitride tin  
405 N2 Nitrogen diatomic n2  
406 N2- nitrogen diatomic anion n2-  
407 N2+ diatomic nitrogen cation n2+  
408 PN Phosphorus mononitride pn  
409 PN- phosphorus nitride anion pn-  
410 PN+ phosphorus nitride cation pn+  
411 P2 Phosphorus diatomic p2  
412 P2- phosphorus diatomic anion p2-  
413 P2+ phosphorus diatomic cation p2+  
414 AsN Arsenic mononitride asn  
415 AsP Arsenic monophosphide asp  
416 SbN Antimony nitride sbn  
417 As2 Arsenic diatomic as2  
418 HNB hydrogen nitrogen boron hnb  
419 HNC hydrogen isocyanide hnc  
420 HCN Hydrogen cyanide hcn  
421 HCN- Hydrogen cyanide anion hcn-  
422 HCN+ hydrogen cyanide cation hcn+  
423 HNC+ hydrogen isocyanide cation hnc+  
424 HCP Phosphaethyne hcp  
425 HCP+ Phosphaethyne cation hcp+  
426 NNH Dinitrogen monohydride nnh  
427 NNH+ Dinitrogen monohydride cation nnh+  
428 HPO Hydrogen phosphorus oxide hpo  
429 HPO+ Hydrogen phosphorus oxide cation hpo+  
430 LiNH2 lithium amide linh2  
431 HBNH Boranimine hbnh  
432 CNH2 Aminomethylidyne radical cnh2  
433 CNH2+ N-protonated hydrogen isocyanide cnh2+  
434 H2CN Dihydrogen cyanide radical h2cn  
435 H2CN+ hydrocyanonium cation h2cn+  
436 HCNH methyleneazane hcnh  
437 HCNH+ N-protonated HCN hcnh+  
438 H2NN Isodiazene h2nn  
439 N2H2 (E)-diazene n2h2  
440 N2H2 (Z)-Diazene n2h2z  
441 N2H2+ trans-diazene cation n2h2+  
442 CH2NH Methanimine ch3n  
443 CH2NH+ Methanimine cation ch2nh+  
444 CHNH2 aminomethylene chnh2  
445 CHNH2+ Aminocarbene cation chnh2+  
446 BH2NH2 Boranamine bh2nh2  
447 CH2NH2+ methyleneamine cation ch2nh2+  
448 N2H4 Hydrazine n2h4  
449 N2H4+ hydrazine cation n2h4+  
450 P2H4 Diphosphine p2h4  
451 CH3NH2 methyl amine ch3nh2  
452 CH3NH2+ methyl amine cation ch3nh2+  
453 CH3PH2 Methyl phosphine ch3ph2  
454 SiH3NH2 Silane, amino sih3nh2  
455 N2H5+ protonated hydrazine n2h5+  
456 BH3NH3 borane ammonia bh3nh3  
457 CH3NH3 methyl ammonium radical ch3nh3  
458 CH3NH3+ protonated methylamine ch3nh3+  
459 CH3PH3+ methyl phosphine, protonated ch3ph3+  
460 NH3NH3 Ammonia Dimer nh3nh3  
461 N2H7+ ammonia ammonium dimer n2h7+  
462 LiO lithium oxide lio  
463 LiO- lithium oxide anion lio-  
464 LiO+ lithium oxide cation lio+  
465 LiS+ Lithium sulfide cation lis+  
466 NaO sodium monoxide nao  
467 NaO- sodium oxide anion nao-  
468 NaO+ sodium oxide cation nao+  
469 KO Potassium monoxide ko  
470 KO+ Potassium monoxide cation ko+  
471 NaS Sodium sulfide nas  
472 CuO Copper Monoxide cuo  
473 LiSe Lithium monoselenide lise  
474 BeO beryllium oxide beo  
475 BeO- Beryllium monoxide anion beo-  
476 BeO+ Beryllium monoxide cation beo+  
477 BeS beryllium sulfide bes  
478 MgO magnesium oxide mgo  
479 MgO- magnesium oxide anion mgo-  
480 MgO+ magnesium oxide cation mgo+  
481 CaO Calcium monoxide cao  
482 MgS magnesium sulfide mgs  
483 MgS- magnesium sulfide anion mgs-  
484 MgS+ magnesium sulfide cation mgs+  
485 ZnO zinc monoxide zno  
486 ZnS Zinc sulfide zns  
487 BeS- Beryllium monosulfide anion bes-  
488 BeS+ Beryllium monosulfide cation bes+  
489 BO boron monoxide bo  
490 BO- boron monoxide anion bo-  
491 AlO Aluminum monoxide alo  
492 AlO- Aluminum monoxide anion alo-  
493 AlO+ aluminum monoxide cation alo+  
494 BS boron sulfide bs  
495 BS- boron monosulfide anion bs-  
496 BS+ boron monosulfide cation bs+  
497 AlS Aluminum sulfide als  
498 AlS- aluminum monosulfide anion als-  
499 AlS+ aluminum monosulfide cation als+  
500 ScO Scandium monoxide sco  
501 GaO Gallium monoxide gao  
502 GaS Gallium monosulfide gas  
503 BO+ boron monoxide cation bo+  
504 CO Carbon monoxide co  
505 CO- carbon monoxide anion co-  
506 CO+ carbon monoxide cation co+  
507 CS carbon monosulfide cs  
508 CS- carbon monosulfide anion cs-  
509 CS+ carbon monosulfide cation cs+  
510 SiO Silicon monoxide sio  
511 SiO- silicon monoxide anion sio-  
512 SiO+ silicon monoxide cation sio+  
513 SiS silicon monosulfide sis  
514 SiS- silicon monosulfide anion sis-  
515 SiS+ silicon monosulfide cation sis+  
516 TiO Titanium monoxide tio  
517 CSe Carbon monoselenide cse  
518 CSe- Carbon monoselenide anion cse-  
519 CSe+ Carbon monoselenide cation cse+  
520 GeO+ Germanium monoxide cation geo+  
521 GeS Germanium monosulfide ges  
522 SiSe+ Silicon Monoselenide cation sise+  
523 GeSe Germanium monoselenide gese  
524 NO Nitric oxide no  
525 NO- nitric oxide anion no-  
526 NO+ nitric oxide cation no+  
527 NS Mononitrogen monosulfide ns  
528 NS- nitrogen sulfide anion ns-  
529 NS+ nitrogen sulfide cation ns+  
530 PO- phosphorus monoxide anion po-  
531 PO+ phosphorus monoxide cation po+  
532 PS- phosphorus monosulfide anion ps-  
533 PS+ phosphorus monosulfide cation ps+  
534 VO Vanadium monoxide vo  
535 AsO Arsenic monoxide aso  
536 NSe Nitrogen monoselenide nse  
537 AsS Arsenic monosulfide ass  
538 PSe Phosphorus monoselenide pse  
539 AsSe Arsenic monoselenide asse  
540 O2 Oxygen diatomic o2  
541 O2- oxygen diatomic anion o2-  
542 O2-- dioxygen dianion o2--  
543 O2+ diatomic oxygen cation o2+  
544 SO- sulfur monoxide anion so-  
545 SO+ sulfur monoxide cation so+  
546 S2- sulfur diatomic anion s2-  
547 S2+ sulfur diatomic cation s2+  
548 SeO Selenium monoxide seo  
549 SeO- selenium monoxide anion seo-  
550 SeO+ selenium monoxide cation seo+  
551 SeS Selenium monosulfide ses  
552 SeS- selenium monosulfide anion ses-  
553 SeS+ selenium monosulfide cation ses+  
554 TeO Tellurium monoxide teo  
555 Se2- selenium diatomic anion se2-  
556 Se2+ selenium diatomic cation se2+  
557 Te2 Tellurium diatomic te2  
558 LiOH lithium hydroxide lioh  
559 NaOH sodium hydroxide naoh  
560 KOH Potassium hydroxide koh  
561 BeOH beryllium monohydroxide beoh  
562 MgOH magnesium hydroxide mgoh  
563 CaOH Calcium monohydroxide caoh  
564 HBO Boron hydride oxide hbo  
565 HBS hydrogen boron sulfide hbs  
566 COH Hydroxymethylidyne coh  
567 COH+ Carbon Monoxide, protonated coh+  
568 HCO Formyl radical hco  
569 HCO- formyl anion hco-  
570 HCO+ Formyl cation hco+  
571 HCS Thioformyl radical hcs  
572 HCS- Thioformyl anion hcs-  
573 HCS+ Thioformyl cation hcs+  
574 HNO Nitrosyl hydride hno  
575 HNO- Nitrosyl hydride anion hno-  
576 HNO+ Nitrosyl hydride cation hno+  
577 NOH Hydroxyimidogen noh  
578 NOH+ O-protonated nitric oxide noh+  
579 HNS Sulfur imide hns  
580 HNS- Sulfur imide anion hns-  
581 HO2 Hydroperoxy radical ho2  
582 HO2- Hydroperoxy anion ho2-  
583 HO2+ Hydroperoxy cation ho2+  
584 HS2 Thiosulfeno radical hs2  
585 H2CO Formaldehyde h2co  
586 H2CO- formaldehyde anion h2co-  
587 H2CO+ formaldehyde cation h2co+  
588 HOCH hydroxycarbene hoch  
589 H2CS- thioformaldehyde anion h2cs-  
590 H2CS+ thioformaldehyde cation h2cs+  
591 H2NO nitroxide h2no  
592 H2O2 Hydrogen peroxide h2o2  
593 H2O2+ Hydrogen peroxide cation h2o2+  
594 H2OO water oxide h2oo  
595 HOSH hydrogen thioperoxide hosh  
596 H2Se2 hydrogen diselenide h2se2  
597 CH2OH Hydroxymethyl radical ch2oh  
598 CH2OH+ hydroxymethyl cation ch2oh+  
599 CH3O Methoxy radical ch3o  
600 CH3O- methoxy anion ch3o-  
601 CH3O+ Methoxy cation ch3o+  
602 CH3S thiomethoxy ch3s  
603 NH2OH hydroxylamine nh2oh  
604 NH2OH+ Hydroxylamine cation nh2oh+  
605 NH3O Ammonia Oxide nh3o  
606 H2POH Phosphinous acid h2poh  
607 H3PO Phosphine oxide h3po  
608 NH2SH Thiohydroxylamine nh2sh  
609 NH3S sulfidoazane nh3s  
610 H3O2+ hydrogen peroxide, protonated h3o2+  
611 CH3OH Methyl alcohol ch3oh  
612 CH3OH- Methyl alcohol anion ch3oh-  
613 CH3OH+ Methyl alcohol cation ch3oh+  
614 CH3SH+ Methanethiol cation ch3sh+  
615 SiH3OH silanol sih3oh  
616 CH3SeH Methane selenol ch3seh  
617 NH2OH2+ protonated hydroxylamine nh2oh2+  
618 NH3OH+ N-protonated hydroxylamine nh3oh+  
619 H2OH2O water dimer h2oh2o  
620 CH3OH2+ Methanol, protonated ch3oh2+  
621 H2ONH3 Water Ammonia Dimer h2onh3  
622 H5O2+ Dihydroxonium ion h5o2+  
623 LiF lithium fluoride lif  
624 LiCl- lithium chloride anion licl-  
625 LiCl+ lithium chloride cation licl+  
626 NaF sodium fluoride naf  
627 NaF- sodium fluoride anion naf-  
628 NaF+ sodium fluoride cation naf+  
629 KF Potassium Fluoride kf  
630 NaCl Sodium Chloride nacl  
631 NaCl- sodium chloride anion nacl-  
632 NaCl+ sodium chloride cation nacl+  
633 KCl Potassium Chloride kcl  
634 CuF Copper monofluoride cuf  
635 LiBr Lithium Bromide libr  
636 LiBr- lithium bromide anion libr-  
637 LiBr+ lithium bromide cation libr+  
638 CuCl Copper monochloride cucl  
639 NaBr Sodium Bromide nabr  
640 NaBr- sodium bromide anion nabr-  
641 NaBr+ sodium bromide cation nabr+  
642 KBr Potassium Bromide kbr  
643 LiI Lithium Iodide lii  
644 NaI Sodium Iodide nai  
645 KI Potassium Iodide ki  
646 LiF- lithium fluoride anion lif-  
647 LiF+ lithium fluoride cation lif+  
648 BeF Beryllium monofluoride bef  
649 BeF- Beryllium monofluoride anion bef-  
650 BeF+ Beryllium monofluoride cation bef+  
651 BeCl beryllium monochloride becl  
652 MgF Magnesium monofluoride mgf  
653 MgF- magnesium fluoride anion mgf-  
654 MgF+ magnesium fluoride cation mgf+  
655 CaF Calcium monofluoride caf  
656 MgCl magnesium monochloride mgcl  
657 MgCl- magnesium monochloride anion mgcl-  
658 MgCl+ magnesium monochloride cation mgcl+  
659 CaCl calcium monochloride cacl  
660 TiCl Titanium Monochloride ticl  
661 ZnF Zinc monofluoride znf  
662 ZnF- Zinc monofluoride anion znf-  
663 ZnF+ Zinc monofluoride cation znf+  
664 ZnCl Zinc monochloride zncl  
665 CaBr Calcium monobromide cabr  
666 BeCl- beryllium monochloride anion becl-  
667 BeCl+ beryllium monochloride cation becl+  
668 BF Boron monofluoride bf  
669 BF- Boron monofluoride anion bf-  
670 BF+ Boron monofluoride cation bf+  
671 AlF Aluminum monofluoride alf  
672 AlF- Aluminum monofluoride anion alf-  
673 AlF+ Aluminum monofluoride cation alf+  
674 BCl boron monochloride bcl  
675 BCl- boron monochloride anion bcl-  
676 BCl+ boron monochloride cation bcl+  
677 AlCl- aluminum monochloride anion alcl-  
678 AlCl+ aluminum monochloride cation alcl+  
679 ScF Scandium monofluoride scf  
680 BBr Boron monobromide bbr  
681 GaF Gallium monofluoride gaf  
682 GaF+ Gallium monofluoride cation gaf+  
683 AlBr Aluminum monobromide albr  
684 GaCl Gallium monochloride gacl  
685 GaCl+ Gallium monochloride cation gacl+  
686 AlI Aluminum monoiodide ali  
687 GaBr Gallium monobromide gabr  
688 CF Fluoromethylidyne cf  
689 CF- carbon monofluoride anion cf-  
690 CF+ carbon monofluoride cation cf+  
691 CCl carbon monochloride ccl  
692 CCl- carbon monochloride anion ccl-  
693 CCl+ carbon monochloride cation ccl+  
694 SiF- silicon monofluoride anion sif-  
695 SiCl Clorosilylidyne sicl  
696 SiCl- silicon monochloride anion sicl-  
697 SiCl+ silicon monochloride cation sicl+  
698 CBr Carbon monobromide cbr  
699 GeF Germanium monofluoride gef  
700 GeF+ Germanium monofluoride cation gef+  
701 GeCl Germanium monochloride gecl  
702 GeCl+ Germanium monochloride cation gecl+  
703 SiBr Silicon monobromide sibr  
704 SiBr+ Silicon monobromide cation sibr+  
705 NF nitrogen fluoride nf  
706 NF- nitrogen monofluorine anion nf-  
707 NF+ nitrogen monofluoirde cation nf+  
708 NCl- nitrogen monochloride anion ncl-  
709 NCl+ nitrogen monochloride cation ncl+  
710 PF phosphorus monofluoride pf  
711 PF- phosphorus monofluoride anion pf-  
712 PF+ phosphorus monofluoride cation pf+  
713 PCl phosphorus chloride pcl  
714 PCl- phosphorus monochloride anion pcl-  
715 PCl+ phosphorus monochloride cation pcl+  
716 AsF Arsenic monofluoride asf  
717 NBr nitrogen monobromide nbr  
718 AsCl Arsenic monochloride ascl  
719 PBr Phosphorus monobromide pbr  
720 SbF Antimony monofluoride sbf  
721 SbCl Antimony monochloride sbcl  
722 FO Oxygen monofluoride fo  
723 FO- flourine oxide anion fo-  
724 FO+ fluorine monoxide cation fo+  
725 ClO- chlorine monoxide anion clo-  
726 ClO+ chlorine monoxide cation clo+  
727 SF- sulfur monofluoride anion sf-  
728 SCl- sulfur monochloride anion scl-  
729 BrO Bromine monoxide bro  
730 BrO- Bromine monoxide anion bro-  
731 BrO+ Bromine monoxide cation bro+  
732 SeF Selenium monofluoride sef  
733 SBr+ Sulfur monobromide cation sbr+  
734 SeCl Selenium monochloride secl  
735 IO Iodine monoxide io  
736 SeBr Selenium monobromide sebr  
737 BrCl Bromine monochloride brcl  
738 F2 Fluorine diatomic f2  
739 F2- flourine diatomic anion f2-  
740 F2+ flourine diatomic cation f2+  
741 ClF Chlorine monofluoride clf  
742 ClF- clorine monofluoride anion clf-  
743 ClF+ clorine monofluoride cation clf+  
744 Cl2 Chlorine diatomic cl2  
745 BrF Bromine monofluoride brf  
746 BrF- bromine fluoride anion brf-  
747 BrF+ bromine fluoride cation brf+  
748 BrCl- bromine chloride anion brcl-  
749 BrCl+ bromine chloride cation brcl+  
750 IF Iodine monofluoride if  
751 Br2 Bromine diatomic br2  
752 Br2- bromine diatomic anion br2-  
753 Br2+ bromine diatomic cation br2+  
754 ICl Iodine monochloride icl  
755 IBr Iodine monobromide ibr  
756 I2 Iodine diatomic i2  
757 I2+ Iodine diatomic cation i2+  
758 HCF Fluoromethylene hcf  
759 HCCl Chloromethylene hccl  
760 HSiF fluorosilylene hsif  
761 HSiCl Chlorosilylene hsicl  
762 HSiBr monobromosilylene hsibr  
763 CHBr bromomethylene chbr  
764 HOF Hypofluorous acid hfo  
765 DOCl Hypochlorous acid-d docl  
766 HOCl hypochlorous acid hocl  
767 HOCl+ hypochlorous acid cation hocl+  
768 HOBr Hypobromous acid hobr  
769 HOBr+ Hypobromous acid cation hobr+  
770 HOI Hypoiodous acid hoi  
771 F2H+ Fluorine, protonated f2h+  
772 FHF Hydrogen difluoride fhf  
773 FHF- Hydrogen difluoride anion fhf-  
774 ClFH+ Chlorine fluoride, F-protonated clfh+  
775 FClH+ Chlorine fluoride, Cl-protonated fclh+  
776 Cl2H+ Chlorine, protonated cl2h+  
777 CH2Br bromomethyl radical ch2br  
778 CH2F fluoromethyl radical ch2f  
779 CH2F+ fluoromethyl cation ch2f+  
780 CH2Cl+ chloromethyl cation ch2cl+  
781 CH2Cl chloromethyl radical ch2cl  
782 NH2F monofluoroamine nh2f  
783 NH2Cl chloramine nh2cl  
784 H2F2 Hydrogen fluoride dimer h2f2  
785 CH3F+ methyl fluoride cation ch3f+  
786 CD3F methylfluoride-d3 cd3f  
787 CH3F Methyl fluoride ch3f  
788 CD3Cl methyl chloride d3 cd3cl  
789 CH3Cl+ Methyl chloride cation ch3cl+  
790 SiH3F monofluorosilane sih3f  
791 CH3Br methyl bromide ch3br  
792 GeH3F monofluorogermane geh3f  
793 GeH3Cl monochlorogermane geh3cl  
794 SiH3Br bromosilane sih3br  
795 CH3I methyl iodide ch3i  
796 SiH3I Silyl Iodide sih3i  
797 NH3Cl+ protonated monochloroammonia nh3cl+  
798 CH3ClH+ methyl chloride, protonated ch3clh+  
799 NH4Cl Ammonium chloride nh4cl  
800 LiNe+ Lithium Neon cation line+  
801 Ne2 Neon diatomic ne2  
802 Ne2+ Neon diatomic cation ne2+  
803 Ar2 Argon diatomic ar2  
804 Ar2+ Argon diatomic cation ar2+  
805 Li3 Lithium trimer li3  
806 Li3+ Lithium trimer cation li3+  
807 C3 carbon trimer c3  
808 C3+ carbon trimer cation c3+  
809 SiC2 Silicon dicarbide sic2  
810 C3H3 cyclopropenyl radical cpr  
811 C3H3 Propargyl radical propargyl  
812 C3H3- Propargyl anion c3h3-  
813 C3H3+ cyclopropenyl cation cpr+  
814 C3H3+ Propargyl cation c3h3+  
815 C3H4 cyclopropene cprop  
816 CH2CCH2 allene allene  
817 CH3CCH propyne propyne  
818 C3H5 Allyl radical allyl  
819 C3H5+ Allyl cation allyl+  
820 CH3CHCH 1-propenyl radical ch3chch  
821 Zn(CH3)2 dimethyl zinc dmz  
822 C3H6 Cyclopropane c3h6  
823 CH2CHCH3 Propene propene  
824 C3H7 n-Propyl radical npropyl  
825 C3H7+ cyclopropane, protonated c3h7+  
826 CH3CHCH3 Isopropyl radical isopropyl  
827 CH3CHCH3+ Isopropyl cation prop2yl+  
828 C3H8 Propane propane  
829 SiH2(CH3)2 dimethylsilane dms  
830 LiCN lithium cyanide licn  
831 NaCN Sodium Cyanide nacn  
832 KCN Potassium cyanide kcn  
833 CuCN Copper cyanide cucn  
834 ZnCN Zinc monocyanide zncn  
835 ZnNC Zinc isocyanide znnc  
836 AlCN Aluminum monocyanide alcn  
837 AlNC Aluminum isocyanide alnc  
838 CN2 3H-Diazirin-3-ylidene cn2  
839 CNN Diazocarbene cnn  
840 NCN Cyanoimidogen ncn  
841 N3 azide radical n3  
842 N3- azide anion n3-  
843 N3+ azide cation n3+  
844 HCCN cyanomethylene hccn  
845 HCNN diazomethyl radical hcnn  
846 HN3 hydrogen azide hn3  
847 HN3+ Hydrazoic acid cation hn3+  
848 HNCNH diiminomethane hncnh  
849 CH2N2 diazirine ch2n2  
850 CH2NN diazomethane ch2nn  
851 NH2CN cyanamide cyanamide  
852 HNNNH+ 1,2-Triazadienium n2h3+  
853 NH2NN+ hydrazoic acid, protonated nh2nn+  
854 CH3CN Acetonitrile ch3cn  
855 CH3CN- acetonitrile anion ch3cn-  
856 CH3CN+ Acetonitrile cation ch3cn+  
857 CH3NC methyl isocyanide ch3nc  
858 CHNCH2 2H-Azirine c157164  
859 CHNHCH 1H-Azirine chnhch  
860 H2CCNH Ethenimine ch2cnh  
861 H2CNCH methyleneaminomethylene ch2nch  
862 HCCNH2 Ethynamine hccnh2  
863 HCNCH2+ 2H-Azirine cation hcnch2+  
864 HNCNH2+ diiminomethane, protonated hncnh2+  
865 NCNH3+ Cyanamide, protonated ncnh3+  
866 NH2CNH+ cyanamide, cn protonated nh2cnh+  
867 NH3CN+ cyanamide, amine protonated nh3cn+  
868 CH2CHNH vinylazine ch2chnh  
869 CH3CHN methylmethaniminyl radical ch3chn  
870 NHCHNH2 aminomethanimine cn2h4  
871 C2H5N Aziridine c2h5n  
872 CH2CHNH2 aminoethene aminoethene  
873 CH2NCH3 N-methylmethanimine nmm  
874 CH3CHNH ethanimine ethanimine  
875 NH2BHNH2 diaminoborane nh2bhnh2  
876 C2H5NH+ Protonated Aziridine c2h5nh+  
877 C2H6N+ aziridine, protonated c2h6n+  
878 NH2CH2NH2 diaminomethane nh2ch2nh2  
879 CH3CH2NH2 Ethylamine etam  
880 CH3NHCH3 Dimethylamine ch3nhch3  
881 CH3PHCH3 dimethylphosphine ch3phch3  
882 NH2CH2NH3+ diaminoethane, protonated pdam  
883 (CH3)2NH2+ dimethylammonium cation dmam  
884 CH3CH2NH3+ ethylamine, protonated pea  
885 Li2O dilithium oxide li2o  
886 Li2O+ dilithium oxide cation li2o+  
887 Na2O disodium monoxide na2o  
888 Na2S Sodium sulfide na2s  
889 LiO2 Lithium dioxide lio2  
890 NaO2 Sodium superoxide nao2  
891 CCO Dicarbon monoxide cco  
892 CNO- fulminate cno-  
893 NCO isocyanato radical nco  
894 NCO- cyanate nco-  
895 SCN thiocyanato radical scn  
896 SCN- thiocyanide anion scn-  
897 BO2 Boron dioxide bo2  
898 BO2- Boron dioxide anion bo2-  
899 BO2+ Boron dioxide cation bo2+  
900 N2O Nitrous oxide n2o  
901 N2O- Nitrous oxide anion n2o-  
902 N2O+ Nitrous oxide cation n2o+  
903 NNS Nitrogen sulfide nns  
904 PPO Phosphorus oxide phosphide ppo  
905 CO2 Carbon dioxide co2  
906 CO2- Carbon dioxide anion co2-  
907 CO2+ Carbon dioxide cation co2+  
908 OCS+ Carbonyl sulfide cation cos+  
909 SiO2 silicon dioxide sio2  
910 CS2 Carbon disulfide cs2  
911 CS2- Carbon disulfide anion cs2-  
912 CS2+ Carbon disulfide cation cs2+  
913 TiO2 Titanium dioxide tio2  
914 GeO2 Germanium dioxide geo2  
915 OCSe Carbonyl selenide ocse  
916 SCSe Carbon sulfide selenide scse  
917 GeS2 Germanium disulfide ges2  
918 CSe2 Carbon diselenide cse2  
919 SCTe Carbon sulfide Telluride scte  
920 NO2 Nitrogen dioxide no2  
921 NO2- Nitrogen dioxide anion no2-  
922 NO2+ Nitrogen dioxide cation no2+  
923 PO2 Phosphorus dioxide po2  
924 PO2- Phosphorus dioxide anion po2-  
925 PO2+ Phosphorus dioxide cation po2+  
926 AsO2 Aresenic dioxide aso2  
927 O3 Ozone o3  
928 O3- Ozone anion o3-  
929 O3+ Ozone cation o3+  
930 SO2- Sulfur dioxide anion so2-  
931 SO2+ Sulfur dioxide cation so2+  
932 SSO Disulfur monoxide sso  
933 S3- Sulfur trimer anion s3-  
934 SeO2 Selenium dioxide seo2  
935 SeO2+ Selenium dioxide cation seo2+  
936 TeO2 Tellurium Dioxide teo2  
937 HCCO ketenyl radical ketenyl  
938 CS2H+ Carbon disulfide, protonated cs2h+  
939 HCNO fulminic acid hcno  
940 HNCO Isocyanic acid hnco  
941 HOCN cyanic acid hocn  
942 HNCS Isothiocyanic acid hncs  
943 HSCN thiocyanic acid hscn  
944 HCO2- formate anion hco2-  
945 HNNO nitrosoazane hnno  
946 HNNO+ Nitrous oxide, N-protonated hnno+  
947 NNOH+ Nitrous Oxide, O-protonated nnoh+  
948 HCOO formate neutral radical hcoo  
949 HOCO Hydrocarboxyl radical hoco  
950 HOCO+ Hydrocarboxyl cation hoco+  
951 HNO2 Nitrous acid hno2  
952 HNO2+ nitrous acid cation hno2+  
953 O3H+ protonated ozone o3h+  
954 SO2H+ protonated sulfur dioxide so2h+  
955 C2H2O Oxirene oxirene  
956 CH2CO Ketene ch2co  
957 CH2CO+ Ketene cation ch2co+  
958 HCCOH ethynol hccoh  
959 Be(OH)2 Beryllium hydroxide beo2h2  
960 Mg(OH)2 Magnesium dihydroxide h2mgo2  
961 NH2NO Nitrosamide nh2no  
962 CH2O2 Dioxirane diox  
963 H2COO Dioxymethyl radical h2coo  
964 H2COO+ dioxymethyl cation h2coo+  
965 HCOOH Formic acid ch2o2  
966 H2O3 Hydrogen trioxide h2o3  
967 HSSSH trisulfane hsssh  
968 NaOCH3 Sodium methoxide naoch3  
969 CH2BOH hydroxy(methylene)borane ch2boh  
970 BH3CO Borane carbonyl bh3co  
971 CH3BO Borane, methyloxo- ch3bo  
972 CH2CHO Vinyloxy radical ch2cho  
973 CH2COH+ ketene, protonated ch2coh+  
974 CH3CO Acetyl radical ch3co  
975 CH3CO- Acetyl anion ch3co-  
976 CH3CO+ acetyl cation ch3co+  
977 CH2NOH formaldoxime ch2noh  
978 CH3NO nitrosomethane ch3no  
979 CHONH2 formamide formamide  
980 CNOH3 1,2-oxaziridine cnoh3  
981 HOCHNH hydroxymethylimine hochnh  
982 CHSNH2 thioformamide chsnh2  
983 NHCHSH Methanimidothioic acid nhchsh  
984 CH2OOH CH2OOH radical ch2ooh  
985 CH3OO methylperoxy radical ch3oo  
986 CH3OO- methylperoxy anion ch3oo-  
987 CH3OO+ methylperoxy cation ch3oo+  
988 C2H4O Ethylene oxide c2h4o  
989 C2H4O+ ethylene oxide cation c2h4o+  
990 CH2CHOH ethenol ch2choh  
991 CH3CHO Acetaldehyde ch3cho  
992 CH3CHO+ acetaldehyde cation ch3cho+  
993 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
994 CH2CHSH Ethenethiol ch2chsh  
995 H2CONH2+ protonated formamide h2conh2+  
996 NH2CHOH+ Formamide, O-protonated nh2choh+  
997 NH3CHO+ Formamide, N-Protonated nh3cho+  
998 CH2(OH)2 methanediol ch2o2h2  
999 CH3OOH Methyl peroxide ch3ooh  
1000 HSCH2SH Methanedithiol ch4s2  
1001 H2OH2CO water formaldehyde dimer h2oh2co  
1002 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1003 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1004 CH3CH2O Ethoxy radical ethoxy  
1005 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1006 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1007 CH3OCH2 methoxymethyl radical ch3och2  
1008 NH2CH2OH aminomethanol nh2ch2oh  
1009 CH3CH2OH Ethanol etoh  
1010 CH3OCH3 Dimethyl ether meome  
1011 CH3SCH3 Dimethyl sulfide mesme  
1012 CH3SCH3+ dimethyl sulfide cation mesme+  
1013 CH3SeCH3 dimethylselenide dmse  
1014 CH3OHH2O methanol water dimer ch3ohh2o  
1015 H2OCH3OH water methanol dimer h2och3oh  
1016 CuF2 Copper difluoride cuf2  
1017 ZnF2 Zinc difluoride znf2  
1018 CNF iso cyanogen fluoride cnf  
1019 FCN Cyanogen fluoride fcn  
1020 ClCN chlorocyanogen clcn  
1021 BrCN Cyanogen bromide brcn  
1022 ICN Cyanogen iodide icn  
1023 FBO Boron monofluoride monoxide fbo  
1024 BeF2 Beryllium fluoride bef2  
1025 MgF2 Magnesium fluoride mgf2  
1026 BeCl2 Beryllium chloride becl2  
1027 MgCl2 Magnesium dichloride mgcl2  
1028 CaCl2 Calcium Chloride cacl2  
1029 ZnCl2 Zinc dichloride zncl2  
1030 BeBr2 Beryllium bromide bebr2  
1031 CaBr2 Calcium dibromide cabr2  
1032 CaF2 Calcium difluoride caf2  
1033 FCO Carbonyl fluoride fco  
1034 FCO+ Carbonyl fluoride cation fco+  
1035 ClCO carbonyl monochloride clco  
1036 BF2 Boron difluoride radical bf2  
1037 FNO Nitrosyl fluoride fno  
1038 ClNO Nitrosyl chloride clno  
1039 BrNO Nitrosyl bromide brno  
1040 INO Nitrosyl iodide ino  
1041 CF2 Difluoromethylene cf2  
1042 CF2- Difluoromethylene anion cf2-  
1043 CF2+ Difluoromethylene cation cf2+  
1044 CFCl chlorofluoromethylene cfcl  
1045 SiF2 Silicon difluoride sif2  
1046 SiF2+ Silicon difluoride cation sif2+  
1047 CCl2 dichloromethylene ccl2  
1048 CCl2- dichloromethylene anion ccl2-  
1049 CCl2+ dichloromethylene cation ccl2+  
1050 SiCl2 Dichlorosilylene sicl2  
1051 GeF2 Germanium difluoride gef2  
1052 CBr2 dibromomethylene cbr2  
1053 FOO Dioxygen monofluoride radical foo  
1054 FOO+ Fluorine dioxide cation foo+  
1055 ClOO chloroperoxy radical cloo  
1056 ClOO+ chloroperoxy cation cloo+  
1057 OClO- Chlorine dioxide anion oclo-  
1058 OClO+ Chlorine dioxide cation oclo+  
1059 ClS2 Sulfur chloride cls2  
1060 BrOO Bromine dioxide broo  
1061 OBrO Bromine dioxide radical obro  
1062 NF2 Difluoroamino radical nf2  
1063 NF2+ Difluoroamino cation nf2+  
1064 PF2 Phosphorus difluoride pf2  
1065 PF2+ Phosphorus difluoride cation pf2+  
1066 F2O Difluorine monoxide f2o  
1067 SF2- sulfur difluoride anion sf2-  
1068 SF2+ sulfur difluoride cation sf2+  
1069 Cl2O Dichlorine monoxide cl2o  
1070 SCl2 Sulfur dichloride scl2  
1071 SeF2 Selenium difluoride sef2  
1072 BrOCl Bromine hypochlorite brocl  
1073 BrOBr Bromine oxide brobr  
1074 F3- trifluoride anion f3-  
1075 Cl3- trichloride anion cl3-  
1076 Br3- tribromide anion br3-  
1077 I3- triiodide i3-  
1078 SFCl Sulfur chloride fluoride sfcl  
1079 HCCF Fluoroacetylene hccf  
1080 HCCF+ fluoroacetylene cation hccf+  
1081 HCCCl Chloroacetylene hcccl  
1082 HCCBr bromoacetylene hccbr  
1083 HFCO formyl fluoride hfco  
1084 HFCO+ formyl fluoride cation hfco+  
1085 COHCl Formyl chloride cohcl  
1086 COHBr Formyl bromide cohbr  
1087 BHF2 Difluoroborane bhf2  
1088 BHCl2 Borane, dichloro- bhcl2  
1089 CHCl2 dichloromethyl radical chcl2  
1090 CHF2 difluoromethyl radical chf2  
1091 CHF2+ difluoromethyl cation chf2+  
1092 CHFCl Chlorofluoromethyl radical chfcl  
1093 CHFCl+ Chlorofluoromethyl cation chfcl+  
1094 CHCl2+ dichloromethyl cation chcl2+  
1095 CHBr2 dibromomethyl radical chbr2  
1096 HOClO Chlorous acid hoclo  
1097 NHF2 difluoramine nhf2  
1098 NHCl2 dichloroamine nhcl2  
1099 CH2FCl fluorochloromethane ch2fcl  
1100 SiH2F2 difluorosilane sih2f2  
1101 CH2BrF Methane, bromofluoro- ch2fbr  
1102 CH2BrCl Methane, bromochloro- ch2clbr  
1103 CH2FI fluoroiodomethane ch2fi  
1104 CH2Br2 dibromomethane ch2br2  
1105 CH2ClI chloroiodomethane ch2cli  
1106 CH2BrI bromoiodomethane ch2bri  
1107 CH2I2 Diiodomethane ch2i2  
1108 SiH2Cl2 dichlorosilane sih2cl2  
1109 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1110 CH2CHF Ethene, fluoro- ch2chf  
1111 CH2CHF+ fluoroethene cation ch2chf+  
1112 C2H3Cl Ethene, chloro- ch2chcl  
1113 C2H3Br vinyl bromide c2h3br  
1114 C2H3I Vinyl iodide c2h3i  
1115 CH2FOH fluoromethanol ch2foh  
1116 CH3OCl methyl hypochlorite ch3ocl  
1117 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1118 CHClCH3 1-chloroethyl radical chclch3  
1119 C2H5F fluoroethane c2h5f  
1120 CH3CH2Cl Ethyl chloride c2h5cl  
1121 CH3SiFH2 fluoromethylsilane ch3sifh2  
1122 C2H5Br Ethyl bromide etbr  
1123 C2H5I Ethyl iodide c2h5i  
1124 KrF2 Krypton difluoride krf2  
1125 XeF2 Xenon difluoride xef2  
1126 B4H10 Tetraborane(10) b4h10  
1127 C4 Carbon tetramer c4  
1128 C4+ Carbon tetramer cation c4+  
1129 C4H2 Diacetylene c4h2  
1130 C4H2+ diacetlyene cation c4h2+  
1131 C2H3CCH 1-Buten-3-yne c2h3cch  
1132 C4H4 cyclobutadiene cbd  
1133 C4H4 Tetrahedrane c4h4  
1134 H2CCCCH2 Butatriene h2cccch2  
1135 C4H6 1-Methylcyclopropene c3100047  
1136 C4H6 Cyclobutene c822355  
1137 C4H6 Methylenecyclopropane c6142730  
1138 CH2CCHCH3 1,2-Butadiene butad12  
1139 CH2CHCHCH2 1,3-Butadiene c106990  
1140 CH3CCCH3 2-Butyne c503173  
1141 CHCCH2CH3 1-Butyne c107006  
1142 CH3CHCHCH2 methylallyl radical c4h7  
1143 C4H8 methylcyclopropane mcp  
1144 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1145 CH2CHCH2CH3 1-Butene bute1  
1146 CH3CHCHCH3 2-Butene, (E)- bute2e  
1147 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1148 B(CH3)3 trimethylborane bme3  
1149 Al(CH3)3 trimethyl aluminum tma  
1150 C(CH3)3 Tert-butyl radical tbutyl  
1151 CH2CH(CH3)2 Isobutyl radical isobutyl  
1152 CH3CHCH2CH3 2-Butyl radical butyl2  
1153 CH3CH(CH3)CH3 Isobutane isobutane  
1154 CH3CH2CH2CH3 Butane butane  
1155 SiH(CH3)3 trimethylsilane trimsi  
1156 Li3N trilithium nitride li3n  
1157 C2N2 Cyanogen c2n2  
1158 C2N2+ Cyanogen cation c2n2+  
1159 P4 Phosphorus tetramer p4  
1160 As4 Arsenic tetramer as4  
1161 HCCCN Cyanoacetylene hcccn  
1162 HCCCN+ Cyanoacetylene cation hcccn+  
1163 H2CNCN cyanamide, methylene ch2ncn  
1164 HNCCNH Ethenediimine hnccnh  
1165 C3H3N acrylonitrile ch2chcn  
1166 C3H3N+ acrylonitrile cation ch2chcn+  
1167 CH3N3 methyl azide ch3n3  
1168 NH2CCNH2 Diaminoacetylene daa  
1169 NH2CH2CN Aminoacetonitrile aan  
1170 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1171 C2H5CN ethyl cyanide c2h5cn  
1172 CH5N3 Guanidine guanidine  
1173 C4H6 Bicyclo[1.1.0]butane c157335  
1174 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1175 H2NCHCHNH2 diaminoethylene dae  
1176 CH6N3+ guanidinium ch6n3+  
1177 C3H7N Cyclopropylamine cpram  
1178 CH7N3 triaminomethane tam  
1179 C3H7N Azetidine azet  
1180 C4H8 cyclobutane cbutane  
1181 C2H8N2 Ethylenediamine ethdiam  
1182 CH3NHNHCH3 dimethyl hydrazine dmh  
1183 CH3CH(NH2)CH3 2-Propanamine pram2  
1184 N(CH3)3 Trimethylamine trimeam  
1185 NH2CH2CH2CH3 1-Propanamine pram1  
1186 P(CH3)3 trimethylphosphine tmp  
1187 N(SiH3)3 trisilylamine tsa  
1188 As(CH3)3 trimethyl arsine tmas  
1189 (CH3)3NH+ protonated trimethyl amine ptma  
1190 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1191 Li2O2 dilithium dioxide li2o2  
1192 Na2O2 disodium dioxide na2o2  
1193 K2O2 dipotassium dioxide k2o2  
1194 C3O Tricarbon monoxide c3o  
1195 B2O2 Diboron dioxide b2o2  
1196 ONNO NO dimer onno  
1197 CO3 Carbon trioxide co3  
1198 CO3-- carbonate co3--  
1199 NO3 Nitrogen trioxide no3  
1200 NO3- nitrate anion no3-  
1201 NO3+ nitrogen trioxide cation no3+  
1202 SO3- Sulfur trioxide anion so3-  
1203 SO3-- Sulfate dianion so3--  
1204 SO3+ Sulfur trioxide cation so3+  
1205 SeO3 selenium trioxide seo3  
1206 TeO3 Tellurium trioxide teo3  
1207 HCO3- bicarbonate anion hco3-  
1208 HNO3 Nitric acid hno3  
1209 HSO3 Hydroxysulfonyl radical hso3  
1210 NH2NO2 nitramide nh2no2  
1211 C2H2CO cyclopropenone c2h2co  
1212 C3H2O Propadienal c3h2o  
1213 HCCCHO 2-propynal hcccho  
1214 C2H2O2 Ethanedial c2h2o2  
1215 C2H2O2+ Ethanedial cation c2h2o2+  
1216 H2CO3 Carbonic acid h2co3  
1217 H2CS3 thiocarbonic acid h2cs3  
1218 H2NO3+ Nitric Acid, Protonated h2no3+  
1219 H2SO3 Sulfurous acid h2so3  
1220 C2H3NO Nitrosoethylene c2h3no  
1221 CH3NCO methylisocyante ch3nco  
1222 HOCH2CN cyanomethanol hoch2cn  
1223 CH3COO- acetate anion ch3coo-  
1224 CH3NO2 Methane, nitro- ch3no2  
1225 CH3ONO Methyl nitrite ch3ono  
1226 NH2COOH Carbamic acid nh2cooh  
1227 H3BO3 Boric acid h3bo3  
1228 H3CO3+ carbonic acid, protonated h3co3+  
1229 C3H4O 2-Propyn-1-ol c107197  
1230 C3H4O allenol c9000071  
1231 C3H4O Cyclopropanone cpone  
1232 C3H4O Methylketene c6004440  
1233 CH2CHCHO Acrolein c3h4o  
1234 NH2CONH2 Urea urea  
1235 NH2CONH2+ Urea cation urea+  
1236 NH2CSNH2 Thiourea thiourea  
1237 C2H4O2 1,3-dioxetane c2h4o2  
1238 CH3COOH Acetic acid ch3cooh  
1239 CH3OCHO methyl formate ch3ocho  
1240 CHOCH2OH hydroxy acetaldehyde haa  
1241 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1242 NH3COOH+ protonated Carbamic acid nh3cooh+  
1243 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1244 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1245 HCOOHH2O Formic acid water dimer hcoohh2o  
1246 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1247 CH3COCH2 Acetonyl radical ch3coch2  
1248 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1249 CH3C(OH)=NH Ethaninidic acid eia  
1250 CH3CHNOH Acetaldoxime acetaldoxime  
1251 CH3CONH2 Acetamide acetamide  
1252 HCONHCH3 N-methylformamide nmfa  
1253 CH5N2O+ urea, N-protonated ch4n2o+  
1254 H2NCOHNH2+ urea, protonated ureah+  
1255 C2H5OO ethylperoxy radical c2h5oo  
1256 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1257 C3H5OH Cyclopropanol cproh  
1258 C3H6O 2-Propen-1-ol c107186  
1259 C3H6O Acetone enol enol  
1260 C3H6O Oxetane oxetane  
1261 C3H6O Propylene oxide prox  
1262 CH3CH2CHO Propanal propanal  
1263 CH3COCH3 Acetone acetone  
1264 CH3COCH3- acetone anion ch3coch3-  
1265 C3H6S Thietane thietane  
1266 C3H6S Thiirane, methyl- methiirane  
1267 CH3CSCH3 Thioacetone ch3csch3  
1268 C2H6O2 1,2-Ethanediol ethdiol  
1269 CH3OOCH3 dimethylperoxide dmp  
1270 CH3SOCH3 Dimethyl sulfoxide dmso  
1271 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1272 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1273 CH3COHCH3+ acetone, protonated acetoneh+  
1274 HOCH2CH2NH2 monoethanolamine mea  
1275 C3H7OH 1-Propanol proh  
1276 CH3CHOHCH3 Isopropyl alcohol isoproh  
1277 CH3OC2H5 Ethane, methoxy- etome  
1278 C3H7SH 1-Propanethiol prsh  
1279 CH3CHSHCH3 2-Propanethiol isoprsh  
1280 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1281 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1282 Li2F2 Lithium fluoride dimer li2f2  
1283 Na2F2 Sodium Fluoride Dimer na2f2  
1284 Na2Cl2 Disodium dichloride na2cl2  
1285 C2F2 difluoroacetylene c2f2  
1286 C2Cl2 dichloroacetylene c2cl2  
1287 C2Cl2+ dichloroacetylene cation c2cl2+  
1288 FNO2 Nitryl fluoride fno2  
1289 FONO Nitrosyl hypofluorite fono  
1290 ClNO2 Nitryl chloride clno2  
1291 ClONO chlorine nitrite clono  
1292 BrONO Bromine nitrite brono  
1293 N2F2 (Z)-Difluorodiazene n2f2_z  
1294 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1295 CF2O Carbonic difluoride f2co  
1296 CF2O+ Carbonic difluoride cation f2co+  
1297 COFCl Carbonic chloride fluoride cofcl  
1298 CCl2O Phosgene cl2co  
1299 Cl2CS Thiophosgene cl2cs  
1300 COBr2 Carbonic dibromide cobr2  
1301 BF3 Borane, trifluoro- bf3  
1302 BF3- Borane, trifluoro- anion bf3-  
1303 BF3+ boron trifluoride cation bf3+  
1304 AlF3 Aluminum trifluoride alf3  
1305 BClF2 Chlorodifluoroborane bclf2  
1306 AlF2Cl Aluminum chloride difluoride alclf2  
1307 ScF3 Scandium trifluoride ScF3  
1308 AlFCl2 Aluminum dichloride fluoride alcl2f  
1309 BCl3 Borane, trichloro- bcl3  
1310 BCl3+ Boron Trichloride cation bcl3+  
1311 GaF3 Gallium trifluoride gaf3  
1312 AlCl3 Aluminum trichloride alcl3  
1313 GaCl3 Gallium trichloride gacl3  
1314 BBr3 Boron tribromide bbr3  
1315 AlBr3 Aluminum Bromide albr3  
1316 ClO3 Chlorine trioxide clo3  
1317 ClO3- chlorate anion clo3-  
1318 BrO3- Bromate anion bro3-  
1319 CF3 Trifluoromethyl radical cf3  
1320 CF3- Trifluoromethyl anion cf3-  
1321 CF3+ Trifluoromethyl cation cf3+  
1322 CF2Cl difluorochloromethyl radical cf2cl  
1323 SiF3 Silicon trifluoride radical sif3  
1324 SiF3+ Silicon trifluoride cation sif3+  
1325 CFCl2 dichlorofluoromethyl radical cfcl2  
1326 CCl3 Trichloromethyl radical ccl3  
1327 CCl3- Trichloromethyl anion ccl3-  
1328 CCl3+ Trichloromethyl cation ccl3+  
1329 SiCl3 trichlorosilyl radical sicl3  
1330 SiCl3+ trichlorosilyl cation sicl3+  
1331 CBr3 tribromomethyl radical cbr3  
1332 FOOF Perfluoroperoxide foof  
1333 F2SO Thionyl Fluoride f2so  
1334 ClOOCl Dichlorine dioxide cloocl  
1335 FSSF Difluorodisulfane fssf  
1336 S2F2 Thio-thionyl fluoride s2f2  
1337 SOCl2 thionyl chloride socl2  
1338 SeOCl2 selenium oxychloride seocl2  
1339 NF3 Nitrogen trifluoride nf3  
1340 NF3- Nitrogen trifluoride anion nf3-  
1341 NF3+ Nitrogen trifluoride cation nf3+  
1342 PF3 Phosphorus trifluoride pf3  
1343 NCl3 nitrogen trichloride ncl3  
1344 AsF3 Arsenic trifluoride asf3  
1345 PCl3 Phosphorus trichloride pcl3  
1346 SbF3 Antimony Trifluoride sbf3  
1347 AsCl3 Arsenous trichloride ascl3  
1348 SbCl3 Antimony Trichloride sbcl3  
1349 NBr3 Nitrogen Tribromide nbr3  
1350 PBr3 Phosphorus tribromide pbr3  
1351 AsBr3 Arsenic tribromide asbr3  
1352 NI3 Nitrogen triiodide ni3  
1353 PI3 Phosphorus triiodide pi3  
1354 ClSSCl Disulfur dichloride s2cl2  
1355 SF3 Sulfur trifluoride sf3  
1356 BrF3 Bromine trifluoride brf3  
1357 IF3 iodone trifluoride if3  
1358 CHF3 Methane, trifluoro- chf3  
1359 CHF2Cl difluorochloromethane chf2cl  
1360 SiHF3 trifluorosilane sihf3  
1361 CHFCl2 fluorodichloromethane chfcl2  
1362 CDCl3 trichloromethane-d cdcl3  
1363 CHCl3 Chloroform chcl3  
1364 CHBrF2 Methane, bromodifluoro- chbrf2  
1365 SiHCl3 Trichlorosilane sihcl3  
1366 CHFClBr fluorochlorobromomethane chfclbr  
1367 CHBrCl2 Methane, bromodichloro- chbrcl2  
1368 CHF2I difluoroiodomethane chf2i  
1369 CHBr2F dibromofluoromethane chbr2f  
1370 CHFClI fluorochloroiodomethane chfcli  
1371 CHCl2I dichloroiodomethane chcl2i  
1372 CHClBr2 Methane, dibromochloro- chclbr2  
1373 CHBr3 bromoform chbr3  
1374 CHI3 Iodoform chi3  
1375 NF3H+ protonated nitrogen trifluoride nf3h+  
1376 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1377 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1378 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1379 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1380 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1381 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1382 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1383 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1384 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1385 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1386 C2H2Br2 1,1-dibromoethene c2h2br2  
1387 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1388 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1389 CH2FCHO Fluoroacetaldehyde ch2fcho  
1390 CH3COF Acetyl fluoride ch3cof  
1391 CH2ClCHO chloroacetaldehyde ch2clcho  
1392 CH3COCl Acetyl Chloride ch3cocl  
1393 C2H4F2 1,2-difluoroethane c2h4f2  
1394 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1395 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1396 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1397 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1398 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1399 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1400 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1401 CH2CFCH3 2-fluoropropene 2fpro  
1402 CH2CHCH2F Allyl Fluoride allylf  
1403 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1404 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1405 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1406 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1407 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1408 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1409 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1410 CH2FCH2CH3 1-Fluoropropane prf1  
1411 CH3CHFCH3 2-Fluoropropane prf2  
1412 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1413 CH3CHClCH3 Propane, 2-chloro- prcl2  
1414 CH3CH2CH2Br n-propyl bromide prbr  
1415 CH3CHBrCH3 i-propyl bromide iprbr  
1416 C3H9O+ trimethyl oxonium cation c3h9o+  
1417 B5H9 pentaborane9 b5h9  
1418 C5H4 pentatetraene ptrene  
1419 C5H5 cyclopentadienyl radical c5h5  
1420 C5H5- cylopentadienyl anion c5h5-  
1421 C5H6 1,3-Cyclopentadiene c542927  
1422 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1423 C5H6 3-Penten-1-yne, (E)- c2004695  
1424 C5H6 3-Penten-1-yne, (Z)- c1574409  
1425 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1426 C5H6 Cyclopropylacetylene c6746947  
1427 C5H6 Propellane propellane  
1428 C5H7 1,3-pentadienyl radical pdyl  
1429 C5H7 cyclopentenyl radical cpyl  
1430 C5H8 1,2-Butadiene, 3-methyl- c598254  
1431 C5H8 1,2-Pentadiene c591957  
1432 C5H8 1,3-Butadiene, 2-methyl- c78795  
1433 C5H8 1,3-Pentadiene, (E)- c2004708  
1434 C5H8 1,3-Pentadiene, (Z)- c1574410  
1435 C5H8 1,4-Pentadiene c591935  
1436 C5H8 1-pentyne a1pentyne  
1437 C5H8 2,3-Pentadiene c591968  
1438 C5H8 Bicyclo[1.1.1]pentane bcp  
1439 C5H8 Cyclobutane, methylene- c1120565  
1440 C5H8 Cyclopentene c142290  
1441 C5H8 Ethenylcyclopropane c693867  
1442 CH3CCCH2CH3 2-Pentyne 2pentyne  
1443 C5H10 1-Butene, 2-methyl- c563462  
1444 C5H10 2-Butene, 2-methyl- c513359  
1445 C5H10 2-Pentene, (E)- c646048  
1446 C5H10 2-Pentene, (Z)- c627203  
1447 C5H10 Cyclopentane c287923  
1448 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1449 CH2CHCH2CH2CH3 1-pentene pentene  
1450 C5H11 2-Methylbut-2-yl radical c4348350  
1451 C5H12 Butane, 2-methyl- buta2  
1452 C5H12 Pentane pentane  
1453 C5H12 Propane, 2,2-dimethyl- neopentane  
1454 Si(CH3)4 tetramethylsilane tms  
1455 N2O3 Dinitrogen trioxide n2o3  
1456 C3H2N2 Malononitrile c3h2n2  
1457 CH2N4 1H-Tetrazole 1htz  
1458 C3H3N2 imidazolyl radical im  
1459 C3H3N2- imidizolyl anion im-  
1460 C2H3N3 1H-1,2,4-Triazole c288880  
1461 C4H4N pyrrolide radical c4h4n  
1462 C4H4N- pyrrolide anion c4h4n-  
1463 C3H4N2 1H-Imidazole 1himidaz  
1464 C3H4N2 1H-Pyrazole 1hpyraz  
1465 C3H4N2 2H-Imidazole imid2h  
1466 C3H4N2 4H-Imidazole imid4h  
1467 C4H5N (E)-2-Butenenitrile c627269  
1468 C4H5N (Z)-2-Butenenitrile c1190767  
1469 C4H5N 2H-pyrrole pyrrole2  
1470 C4H5N 3H-pyrrole pyrrole3  
1471 C4H5N Cyclopropanecarbonitrile c5500210  
1472 C4H5N Pyrrole pyrrole  
1473 CH2CHCH2CN Allylcyanide ch2chch2cn  
1474 C4H6N+ pyrrole, alpha-protonated appyr  
1475 C4H6N+ pyrrole, beta-protonated bppyr  
1476 C4H6N+ pyrrole, protonated ppyr  
1477 C3H6N2 3-Aminopropionitrile c151188  
1478 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1479 CH3CH2CH2CN Butanenitrile c109740  
1480 C5H8 Bicyclo[2.1.0]pentane c185944  
1481 C5H8 Spiropentane c157404  
1482 C4H9N Cyclobutylamine cbam  
1483 C4H9N Pyrrolidine pyrrolidine  
1484 C3H10N2 1,2-Diaminopropane diampr12  
1485 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1486 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1487 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1488 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1489 NH(C2H5)2 diethylamine dea  
1490 NC4H12+ tetramethyl ammonium cation nc4h12+  
1491 C3O2 Carbon suboxide c3o2  
1492 C3O2+ Carbon suboxide cation c3o2+  
1493 B2O3 diboron trioxide b2o3  
1494 MgCO3 Magnesium Carbonate mgco3  
1495 BeCO3 Beryllium Carbonate beco3  
1496 CaCO3 Calcium Carbonate caco3  
1497 ONONO Nitrosyl nitrite onono  
1498 PO4--- phosphate po4---  
1499 SO4-- sulfate so4--  
1500 HOONO2 peroxy nitric acid hoono2  
1501 HSO4- bisulfate anion hso4-  
1502 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1503 C3H2O2 Propiolic acid c3h2o2  
1504 CHOCOOH oxo acetic acid oaa  
1505 CHOOCHO diformyl ether choocho  
1506 H2SO4 Sulfuric acid h2so4  
1507 H2SeO4 Selenic acid h2seo4  
1508 C3H3NO Isoxazole isox  
1509 C3H3NO Oxazole oxazole  
1510 C3H3NS Thiazole thiazole  
1511 CH3C(O)OO acetyl peroxy radical ch3coo2  
1512 CH3NO3 Methyl nitrate ch3no3  
1513 H3PO4 Phosphoric Acid h3po4  
1514 C4H4O Furan furan  
1515 C4H4O+ Furan cation furan+  
1516 CH3COCCH 3-butyn-2-one c1423605  
1517 C4H4S Thiophene furans  
1518 C4H4Se selenophene c4h4se  
1519 C3H4O2 β–Propiolactone beta  
1520 C3H4O2 2-Propenoic acid propenoic2  
1521 C3H4O2 Methyl glyoxal megly  
1522 C3H4O2 propanedial propanedial  
1523 C3H4O2 propenalol propenalol  
1524 HOCHCCHOH allenediol aldiol  
1525 C2H4O3 1,2,3-trioxolane c2h4o3  
1526 C2H4O3 trioxolane124 triox  
1527 HOCH2COOH Hydroxyacetic acid hac  
1528 CH2CHCONH2 Acrylamide c79061  
1529 CH3OCH2CN Methoxyacetonitrile c1738369  
1530 CH5N3S Hydrazinecarbothioamide c79196  
1531 H2NCH2COOH Glycine glycine  
1532 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1533 C4H6O cis-2-butenal butenal2c  
1534 C4H6O Cyclobutanone cbutone  
1535 C4H6O Furan, 2,3-dihydro- furan23h  
1536 C4H6O Furan, 2,5-dihydro- furan25h  
1537 CH2CHOCHCH2 Vinyl ether vinylether  
1538 CHOCHCHCH3 2-Butenal butenal2  
1539 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1540 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1541 CH2CHSCHCH2 Divinyl sulfide divis  
1542 C2H6N2O Urea, methyl- c598505  
1543 C3H6O2 1,3-Dioxolane dioxolane  
1544 CH3CH2COOH Propanoic Acid propanoic  
1545 CH3COOCH3 methyl acetate aame  
1546 HCOOC2H5 Ethyl formate faee  
1547 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1548 C3H7NO dimethylformamide dmf  
1549 C3H7NO Propanamide propanam  
1550 C2H3OC2H5 Ethene, ethoxy- c109922  
1551 C4H8O Cyclobutanol c2919235  
1552 C4H8O Furan, tetrahydro- thf  
1553 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1554 CH3COCH2CH3 2-Butanone buta2one  
1555 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1556 CHOCH2CH2CH3 Butanal butanal  
1557 C4H8S Thiophene, tetrahydro- tht  
1558 C3H8O2 1,3-Propanediol c504632  
1559 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1560 C3H8O2 Methane, dimethoxy- c109875  
1561 C3H8O2 Propylene glycol c57556  
1562 C3H8S2 1,3-Propanedithiol c109808  
1563 C4H10O 1-Butanol butanol1  
1564 C4H10O 1-Propanol, 2-methyl- c78831  
1565 C4H10O 2-Butanol, (.+/-.)- butanol2  
1566 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1567 C4H10O Ethoxy ethane etoet  
1568 C4H10O Methyl propyl ether meopr  
1569 C4H10O Propane, 2-methoxy- c598538  
1570 C4H10O+ 1-Butanol cation butanol1+  
1571 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1572 C2H5SC2H5 Diethyl sulfide etset  
1573 C4H9SH 1-Butanethiol bush  
1574 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1575 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1576 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1577 FNO3 Fluorine nitrate fno3  
1578 ClONO2 Chlorine nitrate clono2  
1579 BrONO2 Bromine nitrate brono2  
1580 TiCl4 Titanium tetrachloride ticl4  
1581 ClO4- perchlorate anion clo4-  
1582 BF4- tetrafluoroboron anion bf4-  
1583 ClFO3 Perchloryl fluoride clfo3  
1584 SO2F2 Sulfuryl fluoride so2f2  
1585 SO2Cl2 Sulfuryl chloride so2cl2  
1586 F3NO Nitrogen trifluoride oxide f3no  
1587 F3PO Phosphoryl fluoride pf3o  
1588 Cl3PO Phosphoryl chloride pcl3o  
1589 CF4 Carbon tetrafluoride cf4  
1590 CF3Cl Methane, chlorotrifluoro- cf3cl  
1591 SiF4 Silicon tetrafluoride sif4  
1592 TiF4 Titanium tetrafluoride tif4  
1593 CFCl3 Trichloromonofluoromethane cfcl3  
1594 CF3Br Bromotrifluoromethane cf3br  
1595 GeF4 Germanium tetrafluoride gef4  
1596 CCl4 Carbon tetrachloride ccl4  
1597 CCl4+ Carbon tetrachloride cation ccl4+  
1598 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1599 SiCl4 Silane, tetrachloro- sicl4  
1600 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1601 CF3I trifluoroiodomethane cf3i  
1602 CBrCl3 Methane, bromotrichloro- cbrcl3  
1603 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1604 GeCl4 Germanium Tetrachloride gecl4  
1605 CBr2ClF dibromochlorofluoromethane cbr2clf  
1606 CBr2Cl2 dibromodichloromethane cbr2cl2  
1607 CCl3I trichloroiodomethane ccl3i  
1608 CFBr3 fluorotribromomethane cfbr3  
1609 CFClBrI fluorochlorobromoiodomethane cfclbri  
1610 CBr3Cl tribromochloromethane cbr3cl  
1611 CF2I2 difluorodiiodomethane cf2i2  
1612 CBr4 Carbon tetrabromide cbr4  
1613 CCl2I2 dichlorodiiodomethane ccl2i2  
1614 SiBr4 Silicon tetrabromide sibr4  
1615 CBr3I tribromoiododmethane cbr3i  
1616 GeBr4 Germanium tetrabromide gebr4  
1617 CI4 tetraiodomethane ci4  
1618 SiI4 silicon tetraiodide sii4  
1619 ClOF3 Chlorine trifluoride oxide clof3  
1620 SeF4 Selenium tetrafluoride sef4  
1621 SCl4 Sulfur tetrachloride scl4  
1622 C2HF3 Trifluoroethylene c2hf3  
1623 C2HF3+ Trifluoroethylene cation c2hf3+  
1624 CHClCCl2 Trichloroethylene chclccl2  
1625 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1626 HClO4 perchloric acid hclo4  
1627 HSO3F Fluorosulfonic acid hso3f  
1628 CF3OH trifluoromethanol cf3oh  
1629 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1630 CHClCCHCl 1,3-dichloroallene chclcchcl  
1631 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1632 CHCl2CHO dichloroacetaldehyde chcl2cho  
1633 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1634 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1635 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1636 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1637 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1638 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1639 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1640 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1641 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1642 NH3BCl3 Amminetrichloroboron nh3bcl3  
1643 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1644 C3H5ClO Oxirane, (chloromethyl)- c106898  
1645 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1646 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1647 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1648 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1649 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1650 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1651 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1652 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1653 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1654 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1655 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1656 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1657 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1658 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1659 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1660 C4H9F 1-fluorobutane butaf1  
1661 CH3CHFCH2CH3 2-fluorobutane butaf2  
1662 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1663 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1664 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1665 XeF4 Xenon tetrafluoride xef4  
1666 C2H2N2O Furazan furazan  
1667 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1668 NH3BF3 Amminetrifluoroboron nh3bf3  
1669 C6H2 hexatriyne c6h2  
1670 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1671 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1672 C6H4 Benzyne benzyne  
1673 C6H5 phenyl phenyl  
1674 C6H5- phenyl anion phenyl-  
1675 C6H6 Prismane prismane  
1676 C6H6 1,2,4,5-Hexatetraene ht1245  
1677 C6H6 2,4-Hexadiyne hexadiyne  
1678 C6H6 3,4-Dimethylenecyclobutene cb34m  
1679 C6H6 Benzene benzene  
1680 C6H6 Benzvalene bv  
1681 C6H6 Dewar Benzene dewar  
1682 C6H6 Hexa-1,5-diene-3-yne hdy153  
1683 C6H6 Trimethylenecycopropane tmcp  
1684 C6H6+ Benzene cation c6h6+  
1685 C6H7+ benzene, protonated c6h7+  
1686 C6H8 (E)-hexa-1,3,5-triene c821078  
1687 C6H8 (E)-hexa-2,3,4-triene c59660650  
1688 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1689 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1690 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1691 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1692 C6H8 3-Methylenecyclopentene c930267  
1693 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1694 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1695 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1696 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1697 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1698 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1699 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1700 C6H10 1,5-Hexadiene c592427  
1701 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1702 C6H10 1-Hexyne hexyne1  
1703 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1704 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1705 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1706 C6H10 2-Hexyne c764352  
1707 C6H10 3-Hexyne hexyne3  
1708 C6H10 cyclohexene cyclohexene  
1709 C6H10 Cyclopentene, 1-methyl- c693890  
1710 C6H10 Cyclopentene, 3-methyl- c1120623  
1711 C6H10 Cyclopentene, 4-methyl- c1759815  
1712 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1713 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1714 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1715 C6H12 (E)-2-Hexene e2hexene  
1716 C6H12 (E)-3-methylpent-2-ene c616126  
1717 C6H12 (E)-hex-3-ene e3hexene  
1718 C6H12 (Z)-3-methylpent-2-ene c922623  
1719 C6H12 (Z)-hex-2-ene z2hexene  
1720 C6H12 (Z)-hex-3-ene z3hexene  
1721 C6H12 2,3-dimethylbut-1-ene c563780  
1722 C6H12 2,3-dimethyl-but-2-ene tmeet  
1723 C6H12 3-methylenepentane c760214  
1724 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1725 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1726 C6H12 Cyclohexane cyclohexane  
1727 C6H12 Cyclopentane, methyl- c96377  
1728 C6H12 Ethylcyclobutane c4806615  
1729 C6H12 hex-1-ene hexene1  
1730 C6H14 Butane, 2,2-dimethyl- buta22  
1731 C6H14 Butane, 2,3-dimethyl- buta23  
1732 C6H14 Hexane hexane  
1733 C6H14 Pentane, 2-methyl- penta2  
1734 C6H14 Pentane, 3-methyl- penta3  
1735 C4N2 2-Butynedinitrile c4n2  
1736 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1737 C4H2N2 Fumaronitrile c4h2n2  
1738 C2H2N4 sym-tetrazine ttz  
1739 C3H3N3 1,3,5-Triazine triazine135  
1740 CH3N5 5-Aminotetrazole c4418615  
1741 C4H4N2 1,3-Diazine diazine13  
1742 C4H4N2 Pyrazine pyrazine  
1743 C4H4N2 Pyridazine pyridazine  
1744 C4H4N2 Succinonitrile c110612  
1745 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1746 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1747 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1748 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1749 C5H5N E-2,4-pentadienenitrile bdcn  
1750 C5H5N Pyridine pyridine  
1751 B3N3H6 borazine borazine  
1752 C6H6 Fulvene fulvene  
1753 C5H6N+ Pyridinium c5h6n  
1754 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1755 C5H7N (E)-2-Pentenenitrile c26294984  
1756 C5H7N (E)-3-Pentenenitrile c16529661  
1757 C5H7N (Z)-2-Pentenenitrile c25899507  
1758 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1759 C5H7N Cyclobutanecarbonitrile c4426113  
1760 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1761 C5H9N Butanenitrile, 2-methyl- c18936179  
1762 C5H9N Pentanenitrile c110598  
1763 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1764 C6H10 Bicyclo[3.1.0]hexane c285585  
1765 C5H11N Cyclopentanamine cypentam  
1766 C5H11N Piperidine piper  
1767 C4H12N2 1,2-Butanediamine c4426486  
1768 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1769 Li2CO3 Lithium Carbonate li2co3  
1770 Na2CO3 Sodium Carbonate na2co3  
1771 C2O4-- oxalate anion c2o4  
1772 MgSO4 Magnesium Sulfate mgso4  
1773 N2O4 Dinitrogen tetroxide n2o4  
1774 C3H2O3 vinylene carbonate vica  
1775 C2H2O4 Oxalic Acid oxalic  
1776 C2H3NO3 Oxamic acid oxamic  
1777 C4H4O2 2(5H)-Furanone furanone  
1778 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1779 C2H4N2O2 Oxalamide oxalamide  
1780 C2H4N2S2 Ethanedithioamide c79403  
1781 C2H4CO3 Ethylene carbonate etco3  
1782 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1783 C3H4S3 1,3-Dithiolane-2-thione c822388  
1784 C2H4O4 Formic acid dimer fadimer  
1785 C4H5NO 3-Methylisoxazole isox3m  
1786 C4H5NO Isoxazole, 5-methyl- c5765446  
1787 C4H5NS 4-Methylthiazole c693958  
1788 C2H5NO3 Nitric acid, ethyl ester c625581  
1789 C5H6O 2H-Pyran pyran2  
1790 C5H6O 2-methylfuran furan2m  
1791 C5H6O 3-Methylfuran furan3m  
1792 C5H6O Pentadienal pdal  
1793 C5H6S Thiophene, 2-methyl- c554143  
1794 C5H6S Thiophene, 3-methyl- c616444  
1795 C4H6O2 γ–Butyrolactone c96480  
1796 C4H6O2 2,3-Butanedione c431038  
1797 C4H6O2 2-Propenoic acid, methyl ester c96333  
1798 C4H6O2 Crotonic Acid crot  
1799 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1800 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1801 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1802 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1803 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1804 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1805 C4H6OS Vinyl sulfoxide c1115157  
1806 CH6N4S Carbonothioic dihydrazide thiacarb  
1807 C2H6N2O2 (E)-Azodioxymethane c37765154  
1808 C2H6N2O2 Dimethylnitroamine c4164287  
1809 C3H6O3 1,3,5-Trioxane trioxane  
1810 C3H6S3 1,3,5-Trithiane c3h6s3  
1811 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1812 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1813 C4H7NO 2-Pyrrolidinone c616455  
1814 C4H7NO Ethoxyacetonitrile etoaccn  
1815 C4H7NO Methacrylamide c79390  
1816 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1817 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1818 C3H7ONO Propyl nitrite prono  
1819 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1820 CH3CH(NH2)COOH Alanine alanine  
1821 CH3NHCH2COOH Sarcosine sarcosine  
1822 NH2CH2CH2COOH β–alanine betaalanine  
1823 NH2COOC2H5 Urethane urethane  
1824 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1825 C5H8O Cyclopentanone c120923  
1826 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1827 C5H8O Methyl cyclopropyl ketone c765435  
1828 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1829 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1830 NH2CONHC2H5 Urea, ethyl- c625525  
1831 C4H8O2 1,3-Dioxane dioxan13  
1832 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1833 C4H8O2 1,4-Dioxane dioxan14  
1834 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1835 C4H8O2 Ethyl acetate c141786  
1836 C4H8OS s-Ethyl thioacetate c625605  
1837 C3H8O3 1,2,3-Propanetriol glycerin  
1838 C3H8O2S (Methylsulfonyl)ethane c594434  
1839 C4H9NO Butanamide c541355  
1840 C4H9NO Propanamide, 2-methyl- c563837  
1841 C5H10O 2-Butanone, 3-methyl- c563804  
1842 C5H10O 2H-Pyran, tetrahydro- c142687  
1843 C5H10O 2-methylbutyraldehyde 2meba  
1844 C5H10O 2-Pentanone mpk  
1845 C5H10O 3-Pentanone dek  
1846 C5H10O Cyclopentanol c96413  
1847 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1848 C5H10O Pentanal pal  
1849 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1850 C5H10S 3-Ethylthio-1-propene c5296628  
1851 C5H10S Cyclopentanethiol c1679078  
1852 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1853 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1854 C4H10O2 1,1-Dimethoxyethane c534156  
1855 C4H10O2 1,3-Butanediol budiol13  
1856 C4H10O2 1,4-Butanediol budiol14  
1857 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1858 C4H10OS Diethyl sulfoxide c70291  
1859 C4H10S2 1,4-Butanedithiol budisl14  
1860 C4H11NO Diethylhydroxylamine c3710847  
1861 C5H12O 1-Butanol, 2-methyl- c137326  
1862 C5H12O 1-Butanol, 3-methyl- c123513  
1863 C5H12O 1-Pentanol pentanol1  
1864 C5H12O 2-Butanol, 3-methyl- c598754  
1865 C5H12O 2-Pentanol peol2  
1866 C5H12O 3-Pentanol pentan3ol  
1867 C5H12O Butane, 1-methoxy- meobu  
1868 C5H12O Propane, 1-ethoxy- proet  
1869 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1870 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1871 C5H12S 1-Butanethiol, 3-methyl- c541311  
1872 C5H12S 1-Pentanethiol c110667  
1873 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1874 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1875 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1876 C5H12S Butane, 1-(methylthio)- c628295  
1877 C5H12S Ethyl propyl sulfide c4110503  
1878 C5H12S Propane, 2-(ethylthio)- c5145993  
1879 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1880 C4F2 difluorobutadiyne c4f2  
1881 ClCOClCO Oxalyl chloride oxcl  
1882 CF3CN Acetonitrile, trifluoro- cf3cn  
1883 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1884 B2F4 Diboron tetrafluoride b2f4  
1885 B2Cl4 Diboron tetrachloride b2cl4  
1886 C2F4 Tetrafluoroethylene c2f4  
1887 C2F4+ Tetrafluoroethylene cation c2f4+  
1888 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1889 CF2CCl2 difluorodichloroethylene cf2ccl2  
1890 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1891 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1892 C2FCl3 fluorotrichloroethene c2fcl3  
1893 C2Cl4 Tetrachloroethylene c2cl4  
1894 C2Br4 tetrabromoethene c2br4  
1895 CF3OF Trifluoromethylhypofluorite cf3of  
1896 AsF5 Arsenic pentafluoride asf5  
1897 PCl5 Phosphorus pentachloride pcl5  
1898 SF5 Sulfur pentafluoride sf5  
1899 SF5+ pentafluoro sulfur cation sf5+  
1900 SbCl5 Antimony pentachloride sbcl5  
1901 BrF5 bromine pentafluoride brf5  
1902 ClF5 chlorinepentafluoride clf5  
1903 IF5 pentafluoroiodine if5  
1904 CF3CHO trifluoroacetaldehyde cf3cho  
1905 CCl3CHO trichloroacetaldehyde ccl3cho  
1906 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1907 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1908 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1909 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1910 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1911 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1912 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1913 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1914 CF3COOH trifluoroacetic acid cf3cooh  
1915 C4H3ClO Furan, 2-chloro fur2cl  
1916 C4H3ClO Furan,3-chloro fur3cl  
1917 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1918 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1919 C4H8Cl2 1,4-Dichlorobutane c110565  
1920 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1921 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1922 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1923 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1924 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1925 C5H11Cl Pentane, 1-chloro- pencl1  
1926 C4H8O2 Butanoic acid bua  
1927 C6H5CH2 benzyl radical benzyl  
1928 C7H7 cycloheptatrienyl radical c7h7  
1929 C7H7+ cycloheptatrienyl cation c7h7+  
1930 C6H5CH3 toluene toluene  
1931 C7H8 cycloheptatriene cht  
1932 C7H8 Norbornadiene norbor  
1933 C7H8 Quadricyclane qucy  
1934 C7H12 Norbornane nor  
1935 C7H14 cycloheptane c7h14  
1936 C7H16 2-methylhexane 2mhex  
1937 C7H16 3-methylhexane hex3m  
1938 C7H16 heptane heptane  
1939 CH(CN)3 tricyanomethane mecn3  
1940 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1941 C6H7N 2-Methylpyridine mp  
1942 C6H5NH2 aniline aniline  
1943 C6H13N 2-Methylpiperidine pip2m  
1944 C6H13N cyclohexanamine cham  
1945 C6H15N triethylamine tea  
1946 N2O5 Dinitrogen pentoxide n2o5  
1947 C4H2O3 Maleic Anhydride malan  
1948 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1949 C5H4O2 furfural furfural  
1950 C6H5O phenoxy radical phenoxy  
1951 C5H5NO 2(1H)-Pyridinone c72762006  
1952 C5H5NO 2(3H)-Pyridinone c9000048  
1953 C5H5NO 2(5H)-Pyridinone c9000037  
1954 C5H5NO 2-Pyridinol c109104  
1955 C5H5NO 3(2H)-Pyridinone c9000004  
1956 C5H5NO 3(4H)-Pyridinone c9000026  
1957 C5H5NO 3(6H)-Pyridinone c9000015  
1958 C5H5NO 3-Pyridinol c109002  
1959 C5H5NO 4(1H)-Pryidinone c9000060  
1960 C5H5NO 4(3H)-Pryidinone c9000059  
1961 C5H5NO 4-Pyridinol c626642  
1962 C6H5OH phenol phenol  
1963 C6H6O 2,4-Cyclohexadienone c24599573  
1964 C6H6O 2,5-Cyclohexadienone c5664335  
1965 C6H5SH Benzenethiol phsh  
1966 HO2CCHNH2CH2OH Serine serine  
1967 C5H8O2 Acetylacetone acac  
1968 C4H8O2S Sulfolane sulfolane  
1969 C7H10 Norbornene norbornene  
1970 CH(C2H3)3 trivinyl methane tvm  
1971 C6H10O cyclohexanone chexo  
1972 C6H12O hexanal c6h12o  
1973 C6H12O Oxepane oxepane  
1974 C3H7OC3H7 di-n-propyl ether propr  
1975 F2CCCF2 tetrafluoroallene pfa  
1976 CF3COO- trifluoro acetate anion cf3coo-  
1977 CF3COF trifluoroacetyl fluoride cf3cof  
1978 CF3COCl trifluoroacetyl chloride cf3cocl  
1979 PF6 Hexafluorophosphate neutral pf6  
1980 SF6 Sulfur Hexafluoride sf6  
1981 SeF6 Selenium hexafluoride sef6  
1982 CF3CHF2 pentafluoroethane cf3chf2  
1983 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1984 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1985 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1986 CCl3CHCl2 pentachloroethane ccl3chcl2  
1987 C6H5F Fluorobenzene bzf  
1988 C6H5Cl chlorobenzene bzcl  
1989 C6H5Br bromobenzene bzbr  
1990 C8H6 Calicene calicene  
1991 C6H5CCH phenylacetylene phac  
1992 C8H6 benzocyclobutadiene bcbd  
1993 C8H6 Pentalene pentalene  
1994 C6H5CHCH2 Styrene styrene  
1995 C8H8 cubane cubane  
1996 C8H8 cyclooctatetraene cot  
1997 C6H5CH2CH3 Ethylbenzene etbz  
1998 CH3C6H4CH3 meta-xylene mxylene  
1999 CH3C6H4CH3 paraxylene pxylene  
2000 C8H14 Bicyclo[2.2.2]octane bico222  
2001 C8H16 cyclooctane cyclooct  
2002 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2003 C8H18 Octane c8h18  
2004 C6H5CN phenyl cyanide phcn  
2005 C6H12N2 Triethylenediamine ted  
2006 C4O4-- squarate dianion c4o4--  
2007 S4N4 Tetrasulfur tetranitride s4n4  
2008 S8 Octasulfur s8  
2009 C6H4O2 parabenzoquinone pbq  
2010 C4H4N2O2 Uracil uracil  
2011 C6H5CHO benzaldehyde benzal  
2012 C6H5OCH3 Anisole anisole  
2013 C5H9NO2 Proline proline  
2014 C6H12O2 Methyl pivalate c598981  
2015 C6H12O2 Hexanoic acid hexa  
2016 C4F4 tetrafluorcyclobutadiene c4f4  
2017 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2018 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2019 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2020 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2021 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2022 C2F6 hexafluoroethane c2f6  
2023 C2Cl6 hexachloroethane c2cl6  
2024 IF7 Iodine heptafluoride if7  
2025 C6H4F2 metadifluorobenzene mdfb  
2026 C6H4F2 orthodifluorobenzene odfb  
2027 C6H4F2 1,4-difluorobenzene pdfb  
2028 C6H4Cl2 1,2-dichlorobenzene dcb12  
2029 C6H4Cl2 1,3-dichlorobenzene dcb13  
2030 C6H4Cl2 1,4-dichlorobenzene dcb14  
2031 C6H5NO nitrosobenzene bzno  
2032 C9H8 Indene indene  
2033 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2034 C9H12 n-propyl benzene prbz  
2035 C9H20 Nonane nonane  
2036 C(CN)4 tetracyanomethane c5n4  
2037 C5H4N4 purine purine  
2038 C8H7N Indole indole  
2039 C3H3N3O3 cyanuric acid cyanuric  
2040 C6H5NO2 Nitrobenzene c6h5no2  
2041 C6H5COOH benzoic acid benzo  
2042 CH3COC6H5 acetophenone acph  
2043 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2044 C3F6 hexafluoropropene c3f6  
2045 C6H3F3 Benzene trifluoride 123 bzf3a  
2046 C8H18O 1-Octanol octanol  
2047 C10H8 Azulene azu  
2048 C10H8 naphthalene naph  
2049 C10H10 bullvalene bullv  
2050 C10H16 adamantane adamantane  
2051 C6N4 Tetracyanoethylene tcne  
2052 C6N4- tetracyanoethylene anion tcne-  
2053 C10H22 Decane decane  
2054 C4F6 perfluorobutadiene c4f6  
2055 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2056 C3F8 perfluoropropane c3f8  
2057 Fe(CO)5 Iron pentacarbonyl ipc  
2058 Fe(C5H5)2 ferrocene fecp2  
2059 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2060 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2061 C12H8 Acenaphthylene acenaph  
2062 C12H8 biphenylene biph  
2063 C12H10 biphenyl biphenyl  
2064 C12H10 Heptalene heptalene  
2065 C6H12O6 Inositol inositol  
2066 C6F6 hexafluorobenzene c6f6  
2067 S2F10 disulphur decafluoride s2f10  
2068 C13H10 Fluorene fluorene  
2069 C14H10 Anthracene anth  
2070 C14H10 Phenanthrene phenanthrene  
2071 C14H14 Bibenzyl bibenzyl  
2072 C12H10N2 azobenzene azobenzene  
2073 C6H5COC6H5 benzophenone benzophenone  
2074 C16H10 Pyrene pyrene  
2075 C18H12 Tetracene tetracene  
2076 C19H16 Triphenylmethane tpm  
2077 C24H12 Coronene coronene  
2078 C60 Buckminsterfullerene c60