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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 MP3=FULL /daug-cc-pVTZ

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 He Helium atom 1SKh
6 He Helium atom   
7 He+ Helium atom cation 2SKh
8 Li- Lithium atom anion 1SKh
9 LiH Lithium Hydride 1ΣC∞v
10 MgH magnesium monohydride 2ΣC∞v
11 ZnH+ Zinc, protonated   
12 Al- Aluminum atom anion 3PKh
13 AlH3- aluminum trihydride anion  C3v
14 C Carbon atom 3P0Kh
15 Si- Silicon atom anion 4SKh
16 CH2- methylene anion 2B1C2v
17 CH3- methyl anion 1A1C3v
18 CH4 Methane 1A1Td
19 SiH2D2 silane-d2   
20 SiH5+ Silane, protonated   
21 N Nitrogen atom 4SKh
22 As Arsenic atomic 4SKh
23 As- Arsenic anion 3PKh
24 As+ Arsenic cation 3PKh
25 PH phosphorus monohydride 3Σ-C∞v
26 NH2 Amino radical 2B1C2v
27 NH3 Ammonia 1A1C3v
28 PH3+ Phosphine cation 2A1C3v
29 NH4 Ammonium radical   
30 PH4 Phosphoranyl radical   
31 O Oxygen atom 3SKh
32 S Sulfur atom 3PKh
33 S Sulfur atom   
34 S- Sulfur atom anion 2PKh
35 Se Selenium atom 3PKh
36 Se- Selenium atom anion 2PKh
37 Se+ Selenium atom cation 4SKh
38 OH Hydroxyl radical 2ΠC∞v
39 OH- hydroxide anion 1ΣC∞v
40 OH+ hydoxyl cation 3ΣC∞v
41 HSe Selenium monohydride 2ΠC∞v
42 HSe- selenium monohydride anion 1ΣC∞v
43 HSe+ selenium monohydride cation 3ΣC∞v
44 H2O Water 1A1C2v
45 H2O- water anion 2A1C2v
46 H2O- water anion 2A'Cs
47 H2S Hydrogen sulfide 1A1C2v
48 H2Se Hydrogen selenide 1A1C2v
49 H2Se+ Hydrogen selenide cation 2B1C2v
50 H3Se+ Hydrogen Selenide, protonated 1A1C3v
51 F Fluorine atom 2PKh
52 F- Fluorine atom anion 1SKh
53 Cl Chlorine atom 2PKh
54 Cl- Chlorine atom anion 1SKh
55 Br Bromine atom 2PKh
56 Br- Bromine atom anion 1SKh
57 Br+ Bromine atom cation 3PKh
58 HCl Hydrogen chloride 1ΣC∞v
59 HBr hydrogen bromide 1ΣC∞v
60 HBr- hydrogen bromide anion 2ΣC∞v
61 HBr+ hydrogen bromide cation 2ΠC∞v
62 H2Br+ protonated hydrogen bromide 2A1C2v
63 Ne Neon atom   
64 HeLi+ Helium Lithium cation   
65 ArH+ Argon hydride cation 1ΣC∞v
66 Na2- sodium diatomic anion 2ΣuD∞h
67 LiAl Lithium Aluminum   
68 HBBH Diborane(2) 3ΣGD∞h
69 B2H4 Diborane(4) D2d 1A1D2d
70 B2H6 Diborane 1AgD2h
71 B2H6+ Diborane cation   
72 SiGe Silicon Germanium   
73 C2H- Ethynyl anion 1ΣC∞v
74 C2H2+ acetylene cation 2ΠuD∞h
75 C2H2+ acetylene cation   
76 CH3Li methyl lithium 1A1C3v
77 C2H3+ vinyl cation 1A1C2V bridging H
78 C2H3+ vinyl cation 1A1C2V HCCH2
79 C2H4 Ethylene 1AgD2h
80 Si2H4 Disilene   
81 C2H6 Ethane 1A1gD3d
82 Si2H6 disilane 1EuD3d
83 LiP Lithium monophosphide   
84 LiP Lithium monophosphide   
85 MgN Magnesium Nitride   
86 CN Cyano radical 2ΣC∞v
87 SiP Silicon monophosphide 2ΠC∞v
88 N2 Nitrogen diatomic 1ΣgD∞h
89 N2- nitrogen diatomic anion 2ΠgD∞h
90 HCN Hydrogen cyanide 1ΣC∞v
91 HNC+ hydrogen isocyanide cation   
92 NNH+ Dinitrogen monohydride cation 1ΣC∞v
93 LiNH2 lithium amide   
94 CH2NH Methanimine 1A'Cs
95 CH2NH+ Methanimine cation   
96 CHNH2 aminomethylene   
97 CHNH2+ Aminocarbene cation   
98 BH2NH2 Boranamine   
99 SiH3NH2 Silane, amino   
100 BH3PH3 borane phosphine   
101 CO Carbon monoxide 1ΣC∞v
102 CO- carbon monoxide anion 2ΠC∞v
103 CO+ carbon monoxide cation 2ΣC∞v
104 SiSe Silicon Monoselenide   
105 SiSe+ Silicon Monoselenide cation   
106 NO Nitric oxide 2ΠC∞v
107 NO- nitric oxide anion 3ΣC∞v
108 PS phosphorus sulfide 2ΣC∞v
109 O2 Oxygen diatomic 3ΣgD∞h
110 O2- oxygen diatomic anion 2ΠD∞h
111 SO+ sulfur monoxide cation 2ΠC∞v
112 S2 Sulfur diatomic 3ΣgD∞h
113 SeO Selenium monoxide 3ΣC∞v
114 BeOH beryllium monohydroxide 2A'Cs
115 COH Hydroxymethylidyne   
116 HNO+ Nitrosyl hydride cation 2A'Cs
117 HSO+ Sulfur Monoxide, S-protonated   
118 SOH Sulfur Hydroxide   
119 SOH+ Sulfur Monoxide, protonated   
120 H2CO Formaldehyde 1A1C2v
121 H2CO- formaldehyde anion 2A'Cs
122 H2CO- formaldehyde anion   
123 H2CO+ formaldehyde cation 2B2C2v
124 H2CS Thioformaldehyde 1A1C2v
125 H2O2 Hydrogen peroxide 1AC2
126 H2OO water oxide   
127 HOSH hydrogen thioperoxide   
128 NH2OH+ Hydroxylamine cation   
129 CH3OH Methyl alcohol 1A'Cs
130 SiH3OH silanol   
131 NH2OH2+ protonated hydroxylamine   
132 NH3OH+ N-protonated hydroxylamine   
133 LiF lithium fluoride 1ΣC∞v
134 LiCl lithium chloride 1ΣC∞v
135 NaF+ sodium fluoride cation 2ΣC∞v
136 LiBr Lithium Bromide 1ΣC∞v
137 LiF+ lithium fluoride cation 2ΠC∞v
138 AlBr Aluminum monobromide   
139 GeCl+ Germanium monochloride cation   
140 SiBr+ Silicon monobromide cation   
141 PBr Phosphorus monobromide   
142 BrCl Bromine monochloride 1ΣC∞v
143 F2 Fluorine diatomic 1ΣgD∞h
144 F2- flourine diatomic anion 2ΣuD∞h
145 F2+ flourine diatomic cation 2ΠgD∞h
146 ClF+ clorine monofluoride cation 2ΠC∞v
147 Cl2 Chlorine diatomic 1ΣgD∞h
148 Cl2+ chlorine diatomic cation 2ΠgD∞h
149 BrF Bromine monofluoride 1ΣC∞v
150 Br2 Bromine diatomic 1ΣgD∞h
151 Br2- bromine diatomic anion 2ΣuD∞h
152 Br2+ bromine diatomic cation 2ΠgD∞h
153 HCF Fluoromethylene 1A'Cs
154 HCF Fluoromethylene 3A"Cs
155 HOCl hypochlorous acid 1A'Cs
156 HOCl+ hypochlorous acid cation   
157 ClFH+ Chlorine fluoride, F-protonated   
158 FClH+ Chlorine fluoride, Cl-protonated   
159 CH2Br bromomethyl radical   
160 CH2F+ fluoromethyl cation   
161 CH2Cl+ chloromethyl cation   
162 CH2Cl chloromethyl radical 2A'Cs
163 CH2Cl chloromethyl radical 2B1C2v
164 NH2Cl chloramine 1A'Cs
165 CH3F+ methyl fluoride cation   
166 CH3F Methyl fluoride 1A1C3v
167 CH3Cl Methyl chloride 1A1C3v
168 SiH3Cl chlorosilane 1A1C1
169 CH3Br methyl bromide 1A1C3v
170 NH4Cl Ammonium chloride   
171 C3H4 cyclopropene 1A1C2v
172 CH3CCH propyne 1A'C3v
173 CH2CHCH3 Propene 1A'Cs
174 Si3H8 trisilane   
175 HN3+ Hydrazoic acid cation   
176 HNCNH diiminomethane 1AC2
177 HNNNH+ 1,2-Triazadienium   
178 CH3CN Acetonitrile 1A1C3v
179 CH3CN- acetonitrile anion 2EC3v
180 HCNCH2+ 2H-Azirine cation   
181 NH2CNH+ cyanamide, cn protonated   
182 NH3CN+ cyanamide, amine protonated   
183 Na2S Sodium sulfide   
184 Na2S Sodium sulfide   
185 NaO2 Sodium superoxide   
186 CO2 Carbon dioxide 1ΣgD∞h
187 OCS Carbonyl sulfide 1ΣC∞v
188 CS2 Carbon disulfide 1ΣgD∞h
189 OCSe Carbonyl selenide 1ΣC∞v
190 SCSe Carbon sulfide selenide   
191 NSO sulfinyl amidogen   
192 SNO Nitrogen oxide sulfide   
193 S3 Sulfur trimer 1A1C2v
194 SeO2 Selenium dioxide 1A1C2v
195 HCCO ketenyl radical 2ΠC∞v
196 HCCO ketenyl radical 2A"Cs
197 HOCO Hydrocarboxyl radical 1A'cis
198 HOCO Hydrocarboxyl radical 1A'trans
199 O3H+ protonated ozone 1A'Cs
200 O3H+ protonated ozone   
201 C2H2O Oxirene 1A1C2v
202 CH2CO Ketene 1A1C2v
203 CH2CS Thioketene   
204 HCOOH Formic acid   
205 NHCHSH Methanimidothioic acid   
206 C2H4O Ethylene oxide 1A1C2v
207 C2H4O+ ethylene oxide cation   
208 CH3CHO Acetaldehyde 1A'Cs
209 CH3CHO+ acetaldehyde cation   
210 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
211 C2H4S Thiirane 1A1C2v
212 CH3CHS Thioacetaldehyde 1A'C1
213 NH2CHOH+ Formamide, O-protonated   
214 CH3SSH Hydrogen methyl disulfide   
215 HSCH2SH Methanedithiol   
216 CH3CH2SH ethanethiol 1A'Cs
217 CH3SCH3 Dimethyl sulfide 1A1C2v
218 BrCN Cyanogen bromide 1ΣC∞v
219 CF2 Difluoromethylene 1A1D∞h
220 BrOO Bromine dioxide   
221 OBrO Bromine dioxide radical 2B1C2v
222 PF2 Phosphorus difluoride   
223 SF2 sulfur difluoride 1A1C2v
224 SFCl Sulfur chloride fluoride   
225 CHF2+ difluoromethyl cation   
226 CHFCl Chlorofluoromethyl radical   
227 CHFCl+ Chlorofluoromethyl cation   
228 CHCl2+ dichloromethyl cation   
229 NHF2 difluoramine   
230 NHCl2 dichloroamine   
231 SiH2F2 difluorosilane   
232 CH2Cl2 Methylene chloride 1A1C2v
233 CH2FOH fluoromethanol   
234 C4 Carbon tetramer 3ΣgD∞h
235 C4 Carbon tetramer   
236 C4H2+ diacetlyene cation 2ΠgD∞h
237 C4H4 Tetrahedrane   
238 H2CNCN cyanamide, methylene   
239 HNCCNH Ethenediimine   
240 H2NCHCHNH2 diaminoethylene   
241 ONNO NO dimer 1Agtrans C2H
242 ONNO NO dimer 1A1cis C2V
243 SO3 Sulfur trioxide 1A1'D3h
244 S4 Sulfur tetramer   
245 S4 Sulfur tetramer   
246 S4 Sulfur tetramer   
247 C3H2O Propadienal   
248 C3H2O Propadienal   
249 CH3NCO methylisocyante   
250 H3AlO3 Aluminum hydroxide   
251 CH2C(OH)NH2 1-amino vinyl alchohol   
252 CH3C(OH)=NH Ethaninidic acid   
253 CH3CSNH2 Ethanethioamide   
254 CH3CH2CHO Propanal 1A'Cs
255 Li2F2 Lithium fluoride dimer   
256 CF2O+ Carbonic difluoride cation   
257 BF3+ boron trifluoride cation   
258 BCl3 Borane, trichloro- 1A1'D3h
259 CF2Cl difluorochloromethyl radical   
260 CFCl2 dichlorofluoromethyl radical   
261 SSCl2 Thiothionyl chloride   
262 NBr3 Nitrogen Tribromide 1A1C3v
263 SiHF3 trifluorosilane   
264 CHBr2F dibromofluoromethane   
265 C2H4F2 1,2-difluoroethane 1AgC2H anti
266 C2H4F2 1,2-difluoroethane 1AC2 gauche
267 CH3CHCHF trans-1-Fluoro-1-propene   
268 CH2FCH2CH3 1-Fluoropropane   
269 C3O2 Carbon suboxide 1ΣGD∞h
270 CHOOCHO diformyl ether   
271 C4H4Se selenophene   
272 CBr2ClF dibromochlorofluoromethane   
273 SF4 Sulfur tetrafluoride 1A1C2v
274 C6H6 Prismane   
275 C6H6 Dewar Benzene   
276 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
277 C3H2O3 vinylene carbonate   
278 SF6 Sulfur Hexafluoride 1A1GOh

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 cation h+  
5 D2 Deuterium diatomic d2  
6 H2+ Hydrogen cation h2+  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He- Helium atom anion he-  
10 HeH Helium hydride heh  
11 HeH+ Helium hydride cation heh+  
12 He2+ helium diatomic cation he2+  
13 Li Lithium atom li  
14 Li+ Lithium atom cation li+  
15 Na Sodium atom na  
16 Na- Sodium atom anion na-  
17 Na+ Sodium atom cation na+  
18 K Potassium atom k  
19 K- Potassium atom anion k-  
20 K+ Potassium atom cation k+  
21 Cu Copper atom cu  
22 Cu- Copper atom anion cu-  
23 Cu+ Copper atom cation cu+  
24 LiH- lithium hydride anion lih-  
25 LiH+ lithium hydride cation lih+  
26 NaH sodium hydride nah  
27 NaH- sodium hydride anion nah-  
28 NaH+ sodium hydride cation nah+  
29 KH Potassium hydride kh  
30 KH+ Potassium hydrogen cation kh+  
31 CuH Copper monohydride cuh  
32 Be Beryllium atom be  
33 Be- Beryllium atom anion be-  
34 Be+ Beryllium atom cation be+  
35 Mg Magnesium atom mg  
36 Mg- Magnesium atom anion mg-  
37 Mg+ Magnesium atom cation mg+  
38 Ca Calcium atom ca  
39 Ca- Calcium atom anion ca-  
40 Ca+ Calcium atom cation ca+  
41 Zn Zinc atom zn  
42 Zn- Zinc atom anion zn-  
43 Zn+ Zinc atom cation zn+  
44 BeH beryllium monohydride beh  
45 BeH- berylium monohydride anion beh-  
46 BeH+ beryllium monohydride cation beh+  
47 MgH- magnesium monohydride anion mgh-  
48 MgH+ magnesium monohydride cation mgh+  
49 CaH Calcium monohydride cah  
50 CaH+ Calcium monohydride cation cah+  
51 TiH Titanium monohydride tih  
52 ZnH Zinc monohydride znh  
53 BeH2 beryllium dihydride beh2  
54 BeH2+ Beryllium dihydride cation beh2+  
55 MgH2 magnesium dihydride mgh2  
56 CaH2 Calcium Hydride cah2  
57 ZnH2 Zinc hydride znh2  
58 B Boron atom b  
59 B- Boron atom anion b-  
60 B+ Boron atom cation b+  
61 Al Aluminum atom al  
62 Al+ Aluminum atom cation al+  
63 Sc Scandium atom sc  
64 Sc+ Scandium cation sc+  
65 Ga Gallium atom ga  
66 Ga- Gallium atom anion ga-  
67 Ga+ Gallium atom cation ga+  
68 BH Boron monohydride bh  
69 BH- boron monohydride anion bh-  
70 BH+ boron monohydride cation bh+  
71 AlH aluminum monohydride alh  
72 AlH- aluminum monohydride anion alh-  
73 AlH+ aluminum monohydride cation alh+  
74 ScH Scandium monohydride sch  
75 ScH+ Scandium monohydride cation sch+  
76 GaH Gallium monohydride gah  
77 GaH+ Gallium monohydride cation gah+  
78 BH2 boron dihydride bh2  
79 BH2- boron dihydride anion bh2-  
80 BH2+ Boron dihydride cation bh2+  
81 AlH2 aluminum dihydride alh2  
82 AlH2- aluminum dihydride anion alh2-  
83 AlH2+ aluminum dihydride cation alh2+  
84 BH3 boron trihydride bh3  
85 BH3- boron trihydride anion bh3-  
86 BH3+ boron trihydride cation bh3+  
87 AlH3 aluminum trihydride alh3  
88 AlH3+ aluminum trihydride cation alh3+  
89 ScH3 Scandium trihydride sch3  
90 GaH3 Gallium trihydride gah3  
91 BH4 borohydride bh4  
92 BH4- borohydride anion bh4-  
93 AlH4- Aluminum tetrahydride anion alh4-  
94 C- Carbon atom anion c-  
95 C+ Carbon atom cation c+  
96 Si Silicon atom si  
97 Si+ Silicon atom cation si+  
98 Ti Titanium atom ti  
99 Ti- Titanium atom anion ti-  
100 Ti+ Titanium atom cation ti+  
101 Ge Germanium atom ge  
102 Ge- Germanium anion ge-  
103 Ge+ Germanium cation ge+  
104 Sn Tin atom sn  
105 Sn+ Tin cation sn+  
106 CH Methylidyne ch  
107 CH- methylidyne anion ch-  
108 CH+ Methylidyne cation ch+  
109 SiH Silylidyne sih  
110 SiH- silicon monohydride anion sih-  
111 SiH+ silicon monohydride cation sih+  
112 GeH germylidene geh  
113 GeH+ Germaniun monohyrdide cation geh+  
114 CH2 Methylene ch2  
115 CH2+ methylene cation ch2+  
116 SiH2 silicon dihydride sih2  
117 SiH2- silicon dihydride anion sih2-  
118 SiH2+ silicon dihydride cation sih2+  
119 GeH2 germylene geh2  
120 GeH2- germylene anion geh2-  
121 CH3 Methyl radical ch3  
122 CH3+ methyl cation ch3+  
123 SiH3 Silyl radical sih3  
124 SiH3- Silyl anion sih3-  
125 SiH3+ Silyl cation sih3+  
126 GeH3 Germyl radical geh3  
127 GeH3+ germyl cation geh3+  
128 CD4 methane-d4 cd4  
129 CH2D2 methane-d2 ch2d2  
130 CH3D methane-d ch3d  
131 CH4- Methane anion ch4-  
132 CH4+ Methane cation ch4+  
133 CHD3 methane-d3 chd3  
134 SiH4 Silane sih4  
135 SiH4+ Silane cation sih4+  
136 GeH4 Germane geh4  
137 SnH4 Stannane snh4  
138 N- Nitrogen atom anion n-  
139 N+ Nitrogen atom cation n+  
140 P Phosphorus atom p  
141 P- Phosphorus atom anion p-  
142 P+ Phosphorus atom cation p+  
143 V Vanadium atom v  
144 V+ Vanadium atom cation v+  
145 Sb Antimony atom sb  
146 NH Imidogen nh  
147 NH- Imidogen anion nh-  
148 NH+ imidogen cation nh+  
149 PH- phosphorus monohydride anion ph-  
150 PH+ phosphorus monohydride cation ph+  
151 AsH Arsenic monohydride ash  
152 AsH+ Arsenic monohydride cation ash+  
153 SbH Antimony monohydride sbh  
154 ND2 Amidogen-d2 nd2  
155 NH2- amino anion nh2-  
156 NH2+ Amino cation nh2+  
157 PH2 Phosphino radical ph2  
158 PH2- Phosphino anion ph2-  
159 PH2+ Phosphino cation ph2+  
160 AsH2 Arsenic dihydride ash2  
161 AsH2+ Arsenic dihydride cation ash2+  
162 ND3 Ammonia-d3 nd3  
163 NH3- Ammonia anion nh3-  
164 NH3+ ammonia cation nh3+  
165 PH3 Phosphine ph3  
166 AsH3 Arsine ash3  
167 AsH3+ Arsine cation ash3+  
168 SbH3 Stibine sbh3  
169 AsH4+ Arsonium ash4+  
170 NH4+ ammonium cation nh4+  
171 PH4+ phosphonium cation ph4+  
172 O- Oxygen atom anion o-  
173 O+ Oxygen atom cation o+  
174 S+ Sulfur atom cation s+  
175 Cr Chromium atom cr  
176 Te Tellurium atom te  
177 Te+ Tellurium atom cation te+  
178 DO Hydroxyl-d od  
179 DS Mercapto-d ds  
180 HS Mercapto radical hs  
181 HS- mercapto anion sh-  
182 HS+ sulfur monohydride cation sh+  
183 CrH Chromium hydride crh  
184 CrH+ Chromium hydride cation crh+  
185 TeH Telluryl radical teh  
186 D2O Deuterium oxide d2o  
187 H2O+ water cation h2o+  
188 HDO Water-d1 hdo  
189 D2S Hydrogen sulfide-d2 d2s  
190 H2S- Hydrogen sulfide anion h2s-  
191 H2S+ Hydrogen sulfide cation h2s+  
192 H2Te Hydrogen Telluride h2te  
193 H3O+ hydronium cation h3o+  
194 H3S+ Sulfonium cation h3s+  
195 F+ Fluorine atom cation f+  
196 Cl+ Chlorine atom cation cl+  
197 Mn Manganese atom mn  
198 I Iodine atom iodine  
199 I- Iodine atom anion iodine-  
200 I+ Iodine atom cation iodine+  
201 DF Hydrofluoric acid-d df  
202 HF Hydrogen fluoride hf  
203 HF- hydrogen fluoride anion hf-  
204 HF+ hydrogen fluoride cation hf+  
205 DCl Hydrochloric acid-d dcl  
206 HCl- hydrogen chloride anion hcl-  
207 HCl+ hydrogen chloride cation hcl+  
208 HI Hydrogen iodide hi  
209 HI+ Hydrogen iodide cation hi+  
210 H2F+ dihydrogen fluoride cation h2f+  
211 H2Cl+ dihydrogen monochloride cation h2cl+  
212 H2I+ Iodonium h2i+  
213 Ne Neon atom ne  
214 Ne- Neon atom anion ne-  
215 Ne+ Neon atom cation ne+  
216 Ar Argon atom ar  
217 Ar- Argon atom anion ar-  
218 Ar+ Argon atom cation ar+  
219 Fe Iron atom fe  
220 Kr Krypton atom kr  
221 Kr+ Krypton cation kr+  
222 Xe Xenon atom xe  
223 NeH neon hydrogen neh  
224 NeH+ neon hydrogen cation neh+  
225 KrH+ Protonated Krypton krh+  
226 XeH+ Xenon, protonated xeh+  
227 H2Ar H2 Ar dimer h2ar  
228 Co Cobalt atom cobalt  
229 Ni Nickel atom ni  
230 Li2 Lithium diatomic li2  
231 Li2- lithium diatomic anion li2-  
232 Li2+ lithium diatomic cation li2+  
233 NaLi lithium sodium lina  
234 NaLi- lithium sodium anion lina-  
235 NaLi+ lithium sodium cation lina+  
236 LiK Lithium Potassium lik  
237 Na2 Sodium diatomic na2  
238 Na2+ sodium diatomic cation na2+  
239 NaK Sodium Potassium nak  
240 NaK+ Sodium Potassium diatomic cation nak+  
241 K2 Potassium diatomic k2  
242 Cu2 Copper diatomic cu2  
243 LiBe Lithium Beryllium libe  
244 LiMg Lithium magnesium limg  
245 NaBe Sodium Beryllium nabe  
246 NaMg Sodium Magnesium namg  
247 Be2 Beryllium diatomic be2  
248 Be2- Beryllium diatomic anion be2-  
249 Be2+ Beryllium diatomic cation be2+  
250 BeMg Beryllium Magnesium bemg  
251 Mg2 Magnesium diatomic mg2  
252 Mg2- magnesium diatomic anion mg2-  
253 Mg2+ magnesium diatomic cation mg2+  
254 Ca2 Calcium diatomic ca2  
255 LiB Lithium boride lib  
256 NaAl Sodium aluminum naal  
257 BeB Beryllium monoboride beb  
258 B2 Boron diatomic b2  
259 B2- Boron diatomic anion b2-  
260 B2+ Boron diatomic cation b2+  
261 BAl Boron Aluminum bal  
262 Al2 Aluminum diatomic al2  
263 Al2- aluminum diatomic anion al2-  
264 Al2+ aluminum diatomic cation al2+  
265 BGa Boron Gallium bga  
266 AlGa Aluminum Gallium alga  
267 Ga2 Gallium diatomic ga2  
268 LiBH4 Lithium borohydride libh4  
269 HBHHBH Diborane(4) C2V hbhhbh  
270 Al2H6 dialane al2h6  
271 Ga2H6 digallane ga2h6  
272 LiC Lithium Carbide lic  
273 BeC Beryllium Carbide bec  
274 CaC Calcium monocarbide cac  
275 BC boron monocarbide bc  
276 BC- boron monocarbide anion bc-  
277 BC+ boron monocarbide cation bc+  
278 AlC Aluminum carbide alc  
279 BSi Boron silicide bsi  
280 C2 Carbon diatomic c2  
281 C2- carbon diatomic anion c2-  
282 C2+ carbon diatomic cation c2+  
283 SiC silicon monocarbide sic  
284 SiC- silicon monocarbide anion sic-  
285 SiC+ silicon monocarbide cation sic+  
286 Si2 Silicon diatomic si2  
287 Si2- silcon diatomic anion si2-  
288 Si2+ silcon diatomic cation si2+  
289 GeC Germanium monocarbide gec  
290 Ge2 Germanium diatomic ge2  
291 C2H Ethynyl radical c2h  
292 C2H+ Ethynyl cation c2h+  
293 ZnCH2 Zinc methylene znch2  
294 C2H2 Acetylene c2h2  
295 CCH2 vinylidene vinylidene  
296 H2CC- vinylidene anion h2cc-  
297 HCCH- acetylene anion c2h2-  
298 Si2H2 disilyne si2h2  
299 CuCH3 monomethyl copper cuch3  
300 ZnCH3 Zinc monomethyl znch3  
301 CH2BH methyleneborane ch2bh  
302 C2H3 vinyl c2h3  
303 C2H3- vinyl anion c2h3-  
304 C2H4- Ethylene anion c2h4-  
305 C2H4+ Ethylene cation c2h4+  
306 CH3CH methylmethylene ch3ch  
307 CH2SiH2 silaethylene ch2sih2  
308 CH3BH2 methylborane ch3bh2  
309 C2H5 Ethyl radical c2h5  
310 C2H5- Ethyl anion c2h5-  
311 C2H5+ Ethyl cation c2h5+  
312 C2H6+ ethane cation c2h6+  
313 CH3SiH3 methyl silane ch3sih3  
314 GeH3CH3 methyl germane geh3ch3  
315 C2H7+ Ethane, protonated c2h7+  
316 LiN Lithium Nitride lin  
317 LiN+ Lithium Nitride cation lin+  
318 BeN Beryllium mononitride ben  
319 BeN- Beryllium mononitride anion ben-  
320 BeN+ Beryllium mononitride cation ben+  
321 BN- boron nitride anion bn-  
322 AlN- aluminum mononitride anion aln-  
323 AlN+ aluminum mononitride cation aln+  
324 BP Boron monophosphide bp  
325 AlP Aluminum monophosphide alp  
326 GaN Gallium mononitride gan  
327 GaP Gallium monophosphide gap  
328 GaAs Gallium arsenide gaas  
329 BN boron nitride bn  
330 BN+ boron nitride cation bn+  
331 AlN Aluminum nitride aln  
332 CN- cyanide anion cn-  
333 CN+ Cyano cation cn+  
334 CP Carbon monophosphide cp  
335 CP- carbon monophosphide anion cp-  
336 CP+ carbon monophosphide cation cp+  
337 SiN Silicon nitride sin  
338 SiN- silicon mononitride anion sin-  
339 SiN+ silicon mononitride cation sin+  
340 SiP- Silicon monophosphide anion sip-  
341 SiP+ Silicon monophosphide cation sip+  
342 TiN Titanium mononitride tin  
343 N2+ diatomic nitrogen cation n2+  
344 PN Phosphorus mononitride pn  
345 PN- phosphorus nitride anion pn-  
346 PN+ phosphorus nitride cation pn+  
347 P2 Phosphorus diatomic p2  
348 P2- phosphorus diatomic anion p2-  
349 P2+ phosphorus diatomic cation p2+  
350 AsN Arsenic mononitride asn  
351 AsP Arsenic monophosphide asp  
352 SbN Antimony nitride sbn  
353 As2 Arsenic diatomic as2  
354 HNB hydrogen nitrogen boron hnb  
355 HNC hydrogen isocyanide hnc  
356 HCN- Hydrogen cyanide anion hcn-  
357 HCN+ hydrogen cyanide cation hcn+  
358 HCP Phosphaethyne hcp  
359 HCP+ Phosphaethyne cation hcp+  
360 NNH Dinitrogen monohydride nnh  
361 HPO Hydrogen phosphorus oxide hpo  
362 HPO+ Hydrogen phosphorus oxide cation hpo+  
363 HBNH Boranimine hbnh  
364 CNH2 Aminomethylidyne radical cnh2  
365 CNH2+ N-protonated hydrogen isocyanide cnh2+  
366 H2CN Dihydrogen cyanide radical h2cn  
367 H2CN+ hydrocyanonium cation h2cn+  
368 HCNH methyleneazane hcnh  
369 HCNH+ N-protonated HCN hcnh+  
370 H2NN Isodiazene h2nn  
371 N2H2 (E)-diazene n2h2  
372 N2H2 (Z)-Diazene n2h2z  
373 N2H2+ trans-diazene cation n2h2+  
374 CH2PH Phosphaethene ch3p  
375 CH2NH2+ methyleneamine cation ch2nh2+  
376 N2H4 Hydrazine n2h4  
377 N2H4+ hydrazine cation n2h4+  
378 P2H4 Diphosphine p2h4  
379 CH3NH2 methyl amine ch3nh2  
380 CH3NH2+ methyl amine cation ch3nh2+  
381 CH3PH2 Methyl phosphine ch3ph2  
382 N2H5+ protonated hydrazine n2h5+  
383 BH3NH3 borane ammonia bh3nh3  
384 CH3NH3 methyl ammonium radical ch3nh3  
385 CH3NH3+ protonated methylamine ch3nh3+  
386 CH3PH3+ methyl phosphine, protonated ch3ph3+  
387 NH3NH3 Ammonia Dimer nh3nh3  
388 N2H7+ ammonia ammonium dimer n2h7+  
389 LiO lithium oxide lio  
390 LiO- lithium oxide anion lio-  
391 LiO+ lithium oxide cation lio+  
392 LiS Lithium monosulfide lis  
393 LiS+ Lithium sulfide cation lis+  
394 NaO sodium monoxide nao  
395 NaO- sodium oxide anion nao-  
396 NaO+ sodium oxide cation nao+  
397 KO Potassium monoxide ko  
398 KO+ Potassium monoxide cation ko+  
399 NaS Sodium sulfide nas  
400 CuO Copper Monoxide cuo  
401 LiSe Lithium monoselenide lise  
402 BeO beryllium oxide beo  
403 BeO- Beryllium monoxide anion beo-  
404 BeO+ Beryllium monoxide cation beo+  
405 BeS beryllium sulfide bes  
406 MgO magnesium oxide mgo  
407 MgO- magnesium oxide anion mgo-  
408 MgO+ magnesium oxide cation mgo+  
409 CaO Calcium monoxide cao  
410 MgS magnesium sulfide mgs  
411 MgS- magnesium sulfide anion mgs-  
412 MgS+ magnesium sulfide cation mgs+  
413 CaS Calcium sulfide cas  
414 ZnO zinc monoxide zno  
415 ZnS Zinc sulfide zns  
416 BeS- Beryllium monosulfide anion bes-  
417 BeS+ Beryllium monosulfide cation bes+  
418 BO boron monoxide bo  
419 BO- boron monoxide anion bo-  
420 AlO Aluminum monoxide alo  
421 AlO- Aluminum monoxide anion alo-  
422 AlO+ aluminum monoxide cation alo+  
423 BS boron sulfide bs  
424 BS- boron monosulfide anion bs-  
425 BS+ boron monosulfide cation bs+  
426 AlS Aluminum sulfide als  
427 AlS- aluminum monosulfide anion als-  
428 AlS+ aluminum monosulfide cation als+  
429 ScO Scandium monoxide sco  
430 GaO Gallium monoxide gao  
431 GaS Gallium monosulfide gas  
432 BO+ boron monoxide cation bo+  
433 CS carbon monosulfide cs  
434 CS- carbon monosulfide anion cs-  
435 CS+ carbon monosulfide cation cs+  
436 SiO Silicon monoxide sio  
437 SiO- silicon monoxide anion sio-  
438 SiO+ silicon monoxide cation sio+  
439 SiS silicon monosulfide sis  
440 SiS- silicon monosulfide anion sis-  
441 SiS+ silicon monosulfide cation sis+  
442 TiO Titanium monoxide tio  
443 CSe Carbon monoselenide cse  
444 CSe- Carbon monoselenide anion cse-  
445 CSe+ Carbon monoselenide cation cse+  
446 GeO Germanium monoxide geo  
447 GeO+ Germanium monoxide cation geo+  
448 GeS Germanium monosulfide ges  
449 GeSe Germanium monoselenide gese  
450 NO+ nitric oxide cation no+  
451 NS Mononitrogen monosulfide ns  
452 NS- nitrogen sulfide anion ns-  
453 NS+ nitrogen sulfide cation ns+  
454 PO Phosphorus monoxide po  
455 PO- phosphorus monoxide anion po-  
456 PO+ phosphorus monoxide cation po+  
457 PS- phosphorus monosulfide anion ps-  
458 PS+ phosphorus monosulfide cation ps+  
459 VO Vanadium monoxide vo  
460 AsO Arsenic monoxide aso  
461 NSe Nitrogen monoselenide nse  
462 AsS Arsenic monosulfide ass  
463 PSe Phosphorus monoselenide pse  
464 AsSe Arsenic monoselenide asse  
465 O2-- dioxygen dianion o2--  
466 O2+ diatomic oxygen cation o2+  
467 SO Sulfur monoxide so  
468 SO- sulfur monoxide anion so-  
469 S2- sulfur diatomic anion s2-  
470 S2+ sulfur diatomic cation s2+  
471 SeO- selenium monoxide anion seo-  
472 SeO+ selenium monoxide cation seo+  
473 SeS Selenium monosulfide ses  
474 SeS- selenium monosulfide anion ses-  
475 SeS+ selenium monosulfide cation ses+  
476 TeO Tellurium monoxide teo  
477 Se2 Selenium diatomic se2  
478 Se2- selenium diatomic anion se2-  
479 Se2+ selenium diatomic cation se2+  
480 Te2 Tellurium diatomic te2  
481 LiOH lithium hydroxide lioh  
482 NaOH sodium hydroxide naoh  
483 KOH Potassium hydroxide koh  
484 MgOH magnesium hydroxide mgoh  
485 CaOH Calcium monohydroxide caoh  
486 HBO Boron hydride oxide hbo  
487 HBS hydrogen boron sulfide hbs  
488 COH+ Carbon Monoxide, protonated coh+  
489 HCO Formyl radical hco  
490 HCO- formyl anion hco-  
491 HCO+ Formyl cation hco+  
492 HCS Thioformyl radical hcs  
493 HCS- Thioformyl anion hcs-  
494 HCS+ Thioformyl cation hcs+  
495 HNO Nitrosyl hydride hno  
496 HNO- Nitrosyl hydride anion hno-  
497 NOH Hydroxyimidogen noh  
498 NOH+ O-protonated nitric oxide noh+  
499 HNS Sulfur imide hns  
500 HNS- Sulfur imide anion hns-  
501 HO2 Hydroperoxy radical ho2  
502 HO2- Hydroperoxy anion ho2-  
503 HO2+ Hydroperoxy cation ho2+  
504 HS2 Thiosulfeno radical hs2  
505 HOCH hydroxycarbene hoch  
506 H2CS- thioformaldehyde anion h2cs-  
507 H2CS+ thioformaldehyde cation h2cs+  
508 H2CSe Selenoformaldehyde h2cse  
509 H2NO nitroxide h2no  
510 H2O2+ Hydrogen peroxide cation h2o2+  
511 H2S2 Disulfane h2s2  
512 H2S2+ hydrogen disulfide cation h2s2+  
513 H2Se2 hydrogen diselenide h2se2  
514 CH2OH Hydroxymethyl radical ch2oh  
515 CH2OH+ hydroxymethyl cation ch2oh+  
516 CH3O Methoxy radical ch3o  
517 CH3O- methoxy anion ch3o-  
518 CH3O+ Methoxy cation ch3o+  
519 CH3S thiomethoxy ch3s  
520 H2CSH+ Thioformaldehyde, protonated h2csh+  
521 NH2OH hydroxylamine nh2oh  
522 NH3O Ammonia Oxide nh3o  
523 H2POH Phosphinous acid h2poh  
524 H3PO Phosphine oxide h3po  
525 NH2SH Thiohydroxylamine nh2sh  
526 NH3S sulfidoazane nh3s  
527 H3O2+ hydrogen peroxide, protonated h3o2+  
528 CH3OH- Methyl alcohol anion ch3oh-  
529 CH3OH+ Methyl alcohol cation ch3oh+  
530 CH3SH Methanethiol ch3sh  
531 CH3SH+ Methanethiol cation ch3sh+  
532 CH3SeH Methane selenol ch3seh  
533 H2OH2O water dimer h2oh2o  
534 CH3OH2+ Methanol, protonated ch3oh2+  
535 CH3SH2+ protonated methylsulfide ch3sh2+  
536 H2ONH3 Water Ammonia Dimer h2onh3  
537 H5O2+ Dihydroxonium ion h5o2+  
538 LiCl- lithium chloride anion licl-  
539 LiCl+ lithium chloride cation licl+  
540 NaF sodium fluoride naf  
541 NaF- sodium fluoride anion naf-  
542 KF Potassium Fluoride kf  
543 NaCl Sodium Chloride nacl  
544 NaCl- sodium chloride anion nacl-  
545 NaCl+ sodium chloride cation nacl+  
546 KCl Potassium Chloride kcl  
547 CuF Copper monofluoride cuf  
548 LiBr- lithium bromide anion libr-  
549 LiBr+ lithium bromide cation libr+  
550 CuCl Copper monochloride cucl  
551 NaBr Sodium Bromide nabr  
552 NaBr- sodium bromide anion nabr-  
553 NaBr+ sodium bromide cation nabr+  
554 KBr Potassium Bromide kbr  
555 LiI Lithium Iodide lii  
556 NaI Sodium Iodide nai  
557 KI Potassium Iodide ki  
558 LiF- lithium fluoride anion lif-  
559 BeF Beryllium monofluoride bef  
560 BeF- Beryllium monofluoride anion bef-  
561 BeF+ Beryllium monofluoride cation bef+  
562 BeCl beryllium monochloride becl  
563 MgF Magnesium monofluoride mgf  
564 MgF- magnesium fluoride anion mgf-  
565 MgF+ magnesium fluoride cation mgf+  
566 CaF Calcium monofluoride caf  
567 MgCl magnesium monochloride mgcl  
568 MgCl- magnesium monochloride anion mgcl-  
569 MgCl+ magnesium monochloride cation mgcl+  
570 CaCl calcium monochloride cacl  
571 TiCl Titanium Monochloride ticl  
572 ZnF Zinc monofluoride znf  
573 ZnF- Zinc monofluoride anion znf-  
574 ZnF+ Zinc monofluoride cation znf+  
575 ZnCl Zinc monochloride zncl  
576 CaBr Calcium monobromide cabr  
577 BeCl- beryllium monochloride anion becl-  
578 BeCl+ beryllium monochloride cation becl+  
579 BF Boron monofluoride bf  
580 BF- Boron monofluoride anion bf-  
581 BF+ Boron monofluoride cation bf+  
582 AlF Aluminum monofluoride alf  
583 AlF- Aluminum monofluoride anion alf-  
584 AlF+ Aluminum monofluoride cation alf+  
585 BCl boron monochloride bcl  
586 BCl- boron monochloride anion bcl-  
587 BCl+ boron monochloride cation bcl+  
588 AlCl Aluminum monochloride alcl  
589 AlCl- aluminum monochloride anion alcl-  
590 AlCl+ aluminum monochloride cation alcl+  
591 ScF Scandium monofluoride scf  
592 BBr Boron monobromide bbr  
593 GaF Gallium monofluoride gaf  
594 GaF+ Gallium monofluoride cation gaf+  
595 GaCl Gallium monochloride gacl  
596 GaCl+ Gallium monochloride cation gacl+  
597 AlI Aluminum monoiodide ali  
598 GaBr Gallium monobromide gabr  
599 CF Fluoromethylidyne cf  
600 CF- carbon monofluoride anion cf-  
601 CF+ carbon monofluoride cation cf+  
602 CCl carbon monochloride ccl  
603 CCl- carbon monochloride anion ccl-  
604 CCl+ carbon monochloride cation ccl+  
605 SiF silicon monofluoride sif  
606 SiF- silicon monofluoride anion sif-  
607 SiF+ silicon monofluoride cation sif+  
608 SiCl Clorosilylidyne sicl  
609 SiCl- silicon monochloride anion sicl-  
610 SiCl+ silicon monochloride cation sicl+  
611 CBr Carbon monobromide cbr  
612 GeF Germanium monofluoride gef  
613 GeF+ Germanium monofluoride cation gef+  
614 GeCl Germanium monochloride gecl  
615 SiBr Silicon monobromide sibr  
616 NF nitrogen fluoride nf  
617 NF- nitrogen monofluorine anion nf-  
618 NF+ nitrogen monofluoirde cation nf+  
619 NCl nitrogen monochloride ncl  
620 NCl- nitrogen monochloride anion ncl-  
621 NCl+ nitrogen monochloride cation ncl+  
622 PF phosphorus monofluoride pf  
623 PF- phosphorus monofluoride anion pf-  
624 PF+ phosphorus monofluoride cation pf+  
625 PCl phosphorus chloride pcl  
626 PCl- phosphorus monochloride anion pcl-  
627 PCl+ phosphorus monochloride cation pcl+  
628 AsF Arsenic monofluoride asf  
629 NBr nitrogen monobromide nbr  
630 AsCl Arsenic monochloride ascl  
631 SbF Antimony monofluoride sbf  
632 SbCl Antimony monochloride sbcl  
633 FO Oxygen monofluoride fo  
634 FO- flourine oxide anion fo-  
635 FO+ fluorine monoxide cation fo+  
636 ClO Monochlorine monoxide clo  
637 ClO- chlorine monoxide anion clo-  
638 ClO+ chlorine monoxide cation clo+  
639 SF Monosulfur monofluoride sf  
640 SF- sulfur monofluoride anion sf-  
641 SF+ sulfur monofluoride cation sf+  
642 SCl sulfur monochloride scl  
643 SCl- sulfur monochloride anion scl-  
644 SCl+ sulfur monochloride cation scl+  
645 BrO Bromine monoxide bro  
646 BrO- Bromine monoxide anion bro-  
647 BrO+ Bromine monoxide cation bro+  
648 SeF Selenium monofluoride sef  
649 SBr Sulfur monobromide radical sbr  
650 SBr+ Sulfur monobromide cation sbr+  
651 SeCl Selenium monochloride secl  
652 IO Iodine monoxide io  
653 SeBr Selenium monobromide sebr  
654 ClF Chlorine monofluoride clf  
655 ClF- clorine monofluoride anion clf-  
656 Cl2- chlorine diatomic anion cl2-  
657 BrF- bromine fluoride anion brf-  
658 BrF+ bromine fluoride cation brf+  
659 BrCl- bromine chloride anion brcl-  
660 BrCl+ bromine chloride cation brcl+  
661 IF Iodine monofluoride if  
662 ICl Iodine monochloride icl  
663 IBr Iodine monobromide ibr  
664 I2 Iodine diatomic i2  
665 I2+ Iodine diatomic cation i2+  
666 HCCl Chloromethylene hccl  
667 HSiF fluorosilylene hsif  
668 HSiCl Chlorosilylene hsicl  
669 HSiBr monobromosilylene hsibr  
670 CHBr bromomethylene chbr  
671 HOF Hypofluorous acid hfo  
672 DOCl Hypochlorous acid-d docl  
673 HOBr Hypobromous acid hobr  
674 HOBr+ Hypobromous acid cation hobr+  
675 HOI Hypoiodous acid hoi  
676 F2H+ Fluorine, protonated f2h+  
677 FHF Hydrogen difluoride fhf  
678 FHF- Hydrogen difluoride anion fhf-  
679 Cl2H+ Chlorine, protonated cl2h+  
680 CH2F fluoromethyl radical ch2f  
681 NH2F monofluoroamine nh2f  
682 H2F2 Hydrogen fluoride dimer h2f2  
683 CD3F methylfluoride-d3 cd3f  
684 CD3Cl methyl chloride d3 cd3cl  
685 CH3Cl+ Methyl chloride cation ch3cl+  
686 SiH3F monofluorosilane sih3f  
687 GeH3F monofluorogermane geh3f  
688 GeH3Cl monochlorogermane geh3cl  
689 SiH3Br bromosilane sih3br  
690 CH3I methyl iodide ch3i  
691 SiH3I Silyl Iodide sih3i  
692 NH3Cl+ protonated monochloroammonia nh3cl+  
693 CH3ClH+ methyl chloride, protonated ch3clh+  
694 LiNe+ Lithium Neon cation line+  
695 Ne2 Neon diatomic ne2  
696 Ne2+ Neon diatomic cation ne2+  
697 Ar2 Argon diatomic ar2  
698 Ar2+ Argon diatomic cation ar2+  
699 Li3 Lithium trimer li3  
700 Li3+ Lithium trimer cation li3+  
701 C3 carbon trimer c3  
702 C3+ carbon trimer cation c3+  
703 SiC2 Silicon dicarbide sic2  
704 C3H3 cyclopropenyl radical cpr  
705 C3H3 Propargyl radical propargyl  
706 C3H3- Propargyl anion c3h3-  
707 C3H3+ cyclopropenyl cation cpr+  
708 C3H3+ Propargyl cation c3h3+  
709 CH2CCH2 allene allene  
710 C3H5 Allyl radical allyl  
711 C3H5+ Allyl cation allyl+  
712 CH3CHCH 1-propenyl radical ch3chch  
713 Zn(CH3)2 dimethyl zinc dmz  
714 C3H6 Cyclopropane c3h6  
715 C3H7 n-Propyl radical npropyl  
716 C3H7+ cyclopropane, protonated c3h7+  
717 CH3CHCH3 Isopropyl radical isopropyl  
718 CH3CHCH3+ Isopropyl cation prop2yl+  
719 C3H8 Propane propane  
720 SiH2(CH3)2 dimethylsilane dms  
721 LiCN lithium cyanide licn  
722 NaCN Sodium Cyanide nacn  
723 KCN Potassium cyanide kcn  
724 CuCN Copper cyanide cucn  
725 ZnCN Zinc monocyanide zncn  
726 ZnNC Zinc isocyanide znnc  
727 AlCN Aluminum monocyanide alcn  
728 AlNC Aluminum isocyanide alnc  
729 CN2 3H-Diazirin-3-ylidene cn2  
730 CNN Diazocarbene cnn  
731 NCN Cyanoimidogen ncn  
732 N3 azide radical n3  
733 N3- azide anion n3-  
734 N3+ azide cation n3+  
735 HCCN cyanomethylene hccn  
736 HCNN diazomethyl radical hcnn  
737 HN3 hydrogen azide hn3  
738 CH2N2 diazirine ch2n2  
739 CH2NN diazomethane ch2nn  
740 NH2CN cyanamide cyanamide  
741 NH2NN+ hydrazoic acid, protonated nh2nn+  
742 CH3CN+ Acetonitrile cation ch3cn+  
743 CH3NC methyl isocyanide ch3nc  
744 CHNCH2 2H-Azirine c157164  
745 CHNHCH 1H-Azirine chnhch  
746 H2CCNH Ethenimine ch2cnh  
747 H2CNCH methyleneaminomethylene ch2nch  
748 HCCNH2 Ethynamine hccnh2  
749 HNCNH2+ diiminomethane, protonated hncnh2+  
750 NCNH3+ Cyanamide, protonated ncnh3+  
751 CH2CHNH vinylazine ch2chnh  
752 CH3CHN methylmethaniminyl radical ch3chn  
753 NHCHNH2 aminomethanimine cn2h4  
754 C2H5N Aziridine c2h5n  
755 CH2CHNH2 aminoethene aminoethene  
756 CH2NCH3 N-methylmethanimine nmm  
757 CH3CHNH ethanimine ethanimine  
758 NH2BHNH2 diaminoborane nh2bhnh2  
759 C2H5NH+ Protonated Aziridine c2h5nh+  
760 C2H6N+ aziridine, protonated c2h6n+  
761 NH2CH2NH2 diaminomethane nh2ch2nh2  
762 CH3CH2NH2 Ethylamine etam  
763 CH3NHCH3 Dimethylamine ch3nhch3  
764 CH3PHCH3 dimethylphosphine ch3phch3  
765 NH2CH2NH3+ diaminoethane, protonated pdam  
766 (CH3)2NH2+ dimethylammonium cation dmam  
767 CH3CH2NH3+ ethylamine, protonated pea  
768 Li2O dilithium oxide li2o  
769 Li2O+ dilithium oxide cation li2o+  
770 Li2S dilithium sulfide li2s  
771 Na2O disodium monoxide na2o  
772 LiO2 Lithium dioxide lio2  
773 CCO Dicarbon monoxide cco  
774 CNO- fulminate cno-  
775 NCO isocyanato radical nco  
776 NCO- cyanate nco-  
777 SCN thiocyanato radical scn  
778 SCN- thiocyanide anion scn-  
779 BO2 Boron dioxide bo2  
780 BO2- Boron dioxide anion bo2-  
781 BO2+ Boron dioxide cation bo2+  
782 N2O Nitrous oxide n2o  
783 N2O- Nitrous oxide anion n2o-  
784 N2O+ Nitrous oxide cation n2o+  
785 NNS Nitrogen sulfide nns  
786 PPO Phosphorus oxide phosphide ppo  
787 CO2- Carbon dioxide anion co2-  
788 CO2+ Carbon dioxide cation co2+  
789 OCS+ Carbonyl sulfide cation cos+  
790 SiO2 silicon dioxide sio2  
791 CS2- Carbon disulfide anion cs2-  
792 CS2+ Carbon disulfide cation cs2+  
793 TiO2 Titanium dioxide tio2  
794 SiS2 Silicon disulfide sis2  
795 GeO2 Germanium dioxide geo2  
796 GeS2 Germanium disulfide ges2  
797 CSe2 Carbon diselenide cse2  
798 SCTe Carbon sulfide Telluride scte  
799 NO2 Nitrogen dioxide no2  
800 NO2- Nitrogen dioxide anion no2-  
801 NO2+ Nitrogen dioxide cation no2+  
802 PO2 Phosphorus dioxide po2  
803 PO2- Phosphorus dioxide anion po2-  
804 PO2+ Phosphorus dioxide cation po2+  
805 AsO2 Aresenic dioxide aso2  
806 O3 Ozone o3  
807 O3- Ozone anion o3-  
808 O3+ Ozone cation o3+  
809 SO2 Sulfur dioxide so2  
810 SO2- Sulfur dioxide anion so2-  
811 SO2+ Sulfur dioxide cation so2+  
812 SSO Disulfur monoxide sso  
813 S3- Sulfur trimer anion s3-  
814 S3+ Sulfur trimer cation s3+  
815 SeO2+ Selenium dioxide cation seo2+  
816 TeO2 Tellurium Dioxide teo2  
817 CS2H+ Carbon disulfide, protonated cs2h+  
818 HCNO fulminic acid hcno  
819 HNCO Isocyanic acid hnco  
820 HOCN cyanic acid hocn  
821 HNCS Isothiocyanic acid hncs  
822 HSCN thiocyanic acid hscn  
823 HCO2- formate anion hco2-  
824 HNNO nitrosoazane hnno  
825 HNNO+ Nitrous oxide, N-protonated hnno+  
826 NNOH+ Nitrous Oxide, O-protonated nnoh+  
827 HCOO formate neutral radical hcoo  
828 HOCO+ Hydrocarboxyl cation hoco+  
829 HNO2 Nitrous acid hno2  
830 HNO2+ nitrous acid cation hno2+  
831 SO2H+ protonated sulfur dioxide so2h+  
832 CH2CO+ Ketene cation ch2co+  
833 HCCOH ethynol hccoh  
834 Be(OH)2 Beryllium hydroxide beo2h2  
835 Mg(OH)2 Magnesium dihydroxide h2mgo2  
836 NH2NO Nitrosamide nh2no  
837 CH2O2 Dioxirane diox  
838 H2COO Dioxymethyl radical h2coo  
839 H2COO+ dioxymethyl cation h2coo+  
840 H2O3 Hydrogen trioxide h2o3  
841 HSSSH trisulfane hsssh  
842 NaOCH3 Sodium methoxide naoch3  
843 CH2BOH hydroxy(methylene)borane ch2boh  
844 BH3CO Borane carbonyl bh3co  
845 CH3BO Borane, methyloxo- ch3bo  
846 CH2CHO Vinyloxy radical ch2cho  
847 CH2COH+ ketene, protonated ch2coh+  
848 CH3CO Acetyl radical ch3co  
849 CH3CO- Acetyl anion ch3co-  
850 CH3CO+ acetyl cation ch3co+  
851 CH2NOH formaldoxime ch2noh  
852 CH3NO nitrosomethane ch3no  
853 CHONH2 formamide formamide  
854 CNOH3 1,2-oxaziridine cnoh3  
855 HOCHNH hydroxymethylimine hochnh  
856 CHSNH2 thioformamide chsnh2  
857 CH2OOH CH2OOH radical ch2ooh  
858 CH3OO methylperoxy radical ch3oo  
859 CH3OO- methylperoxy anion ch3oo-  
860 CH3OO+ methylperoxy cation ch3oo+  
861 CH2CHOH ethenol ch2choh  
862 CH2CHSH Ethenethiol ch2chsh  
863 H2CONH2+ protonated formamide h2conh2+  
864 NH3CHO+ Formamide, N-Protonated nh3cho+  
865 CH2(OH)2 methanediol ch2o2h2  
866 CH3OOH Methyl peroxide ch3ooh  
867 H2OH2CO water formaldehyde dimer h2oh2co  
868 C2H4OH+ ethylene oxide, protonated c2h4oh+  
869 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
870 CH3CH2O Ethoxy radical ethoxy  
871 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
872 CH3CHOH+ acetaldehyde, protonated ch3choh+  
873 CH3OCH2 methoxymethyl radical ch3och2  
874 NH2CH2OH aminomethanol nh2ch2oh  
875 CH3CH2OH Ethanol etoh  
876 CH3OCH3 Dimethyl ether meome  
877 CH3SCH3+ dimethyl sulfide cation mesme+  
878 CH3SeCH3 dimethylselenide dmse  
879 CH3OHH2O methanol water dimer ch3ohh2o  
880 H2OCH3OH water methanol dimer h2och3oh  
881 CuF2 Copper difluoride cuf2  
882 ZnF2 Zinc difluoride znf2  
883 CNF iso cyanogen fluoride cnf  
884 FCN Cyanogen fluoride fcn  
885 ClCN chlorocyanogen clcn  
886 ICN Cyanogen iodide icn  
887 FBO Boron monofluoride monoxide fbo  
888 BeF2 Beryllium fluoride bef2  
889 MgF2 Magnesium fluoride mgf2  
890 BeCl2 Beryllium chloride becl2  
891 MgCl2 Magnesium dichloride mgcl2  
892 CaCl2 Calcium Chloride cacl2  
893 ZnCl2 Zinc dichloride zncl2  
894 BeBr2 Beryllium bromide bebr2  
895 CaBr2 Calcium dibromide cabr2  
896 CaF2 Calcium difluoride caf2  
897 FCO Carbonyl fluoride fco  
898 FCO+ Carbonyl fluoride cation fco+  
899 ClCO carbonyl monochloride clco  
900 BF2 Boron difluoride radical bf2  
901 FNO Nitrosyl fluoride fno  
902 ClNO Nitrosyl chloride clno  
903 FNS Thionitrosyl fluoride fns  
904 FSN Thiazyl fluoride fsn  
905 OPCl Phosphorus oxychloride opcl  
906 BrNO Nitrosyl bromide brno  
907 INO Nitrosyl iodide ino  
908 CF2- Difluoromethylene anion cf2-  
909 CF2+ Difluoromethylene cation cf2+  
910 CFCl chlorofluoromethylene cfcl  
911 SiF2 Silicon difluoride sif2  
912 SiF2+ Silicon difluoride cation sif2+  
913 CCl2 dichloromethylene ccl2  
914 CCl2- dichloromethylene anion ccl2-  
915 CCl2+ dichloromethylene cation ccl2+  
916 SiCl2 Dichlorosilylene sicl2  
917 GeF2 Germanium difluoride gef2  
918 GeCl2 Germanium dichloride gecl2  
919 CBr2 dibromomethylene cbr2  
920 FOO Dioxygen monofluoride radical foo  
921 FOO+ Fluorine dioxide cation foo+  
922 ClOO chloroperoxy radical cloo  
923 ClOO+ chloroperoxy cation cloo+  
924 OClO Chlorine dioxide oclo  
925 OClO- Chlorine dioxide anion oclo-  
926 OClO+ Chlorine dioxide cation oclo+  
927 ClSO Sulfur chloride oxide clso  
928 ClS2 Sulfur chloride cls2  
929 NF2 Difluoroamino radical nf2  
930 NF2+ Difluoroamino cation nf2+  
931 PF2+ Phosphorus difluoride cation pf2+  
932 FClO chlorosyl fluoride fclo  
933 F2O Difluorine monoxide f2o  
934 ClOF Chlorine hypofluorite clof  
935 SF2- sulfur difluoride anion sf2-  
936 SF2+ sulfur difluoride cation sf2+  
937 Cl2O Dichlorine monoxide cl2o  
938 SCl2 Sulfur dichloride scl2  
939 SeF2 Selenium difluoride sef2  
940 BrOCl Bromine hypochlorite brocl  
941 SeCl2 Selenium Dichloride secl2  
942 SBr2 Sulfur dibromide sbr2  
943 SeBr2 Selenium dibromide sebr2  
944 BrOBr Bromine oxide brobr  
945 F3- trifluoride anion f3-  
946 Cl3- trichloride anion cl3-  
947 Br3- tribromide anion br3-  
948 I3- triiodide i3-  
949 HCCF Fluoroacetylene hccf  
950 HCCF+ fluoroacetylene cation hccf+  
951 HCCCl Chloroacetylene hcccl  
952 HCCBr bromoacetylene hccbr  
953 HFCO formyl fluoride hfco  
954 HFCO+ formyl fluoride cation hfco+  
955 COHCl Formyl chloride cohcl  
956 COHBr Formyl bromide cohbr  
957 BHF2 Difluoroborane bhf2  
958 BHCl2 Borane, dichloro- bhcl2  
959 CHCl2 dichloromethyl radical chcl2  
960 CHF2 difluoromethyl radical chf2  
961 CHBr2 dibromomethyl radical chbr2  
962 HOClO Chlorous acid hoclo  
963 CH2F2 Methane, difluoro- ch2f2  
964 CH2FCl fluorochloromethane ch2fcl  
965 CH2BrF Methane, bromofluoro- ch2fbr  
966 CH2BrCl Methane, bromochloro- ch2clbr  
967 CH2FI fluoroiodomethane ch2fi  
968 CH2Br2 dibromomethane ch2br2  
969 CH2ClI chloroiodomethane ch2cli  
970 CH2BrI bromoiodomethane ch2bri  
971 CH2I2 Diiodomethane ch2i2  
972 SiH2Cl2 dichlorosilane sih2cl2  
973 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
974 CH2CHF Ethene, fluoro- ch2chf  
975 CH2CHF+ fluoroethene cation ch2chf+  
976 C2H3Cl Ethene, chloro- ch2chcl  
977 C2H3Br vinyl bromide c2h3br  
978 C2H3I Vinyl iodide c2h3i  
979 CH3OCl methyl hypochlorite ch3ocl  
980 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
981 CHClCH3 1-chloroethyl radical chclch3  
982 C2H5F fluoroethane c2h5f  
983 CH3CH2Cl Ethyl chloride c2h5cl  
984 CH3SiFH2 fluoromethylsilane ch3sifh2  
985 C2H5Br Ethyl bromide etbr  
986 C2H5I Ethyl iodide c2h5i  
987 KrF2 Krypton difluoride krf2  
988 XeF2 Xenon difluoride xef2  
989 B4H10 Tetraborane(10) b4h10  
990 C4+ Carbon tetramer cation c4+  
991 C4H2 Diacetylene c4h2  
992 C2H3CCH 1-Buten-3-yne c2h3cch  
993 C4H4 cyclobutadiene cbd  
994 H2CCCCH2 Butatriene h2cccch2  
995 C4H6 1-Methylcyclopropene c3100047  
996 C4H6 Cyclobutene c822355  
997 C4H6 Methylenecyclopropane c6142730  
998 CH2CCHCH3 1,2-Butadiene butad12  
999 CH2CHCHCH2 1,3-Butadiene c106990  
1000 CH3CCCH3 2-Butyne c503173  
1001 CHCCH2CH3 1-Butyne c107006  
1002 CH3CHCHCH2 methylallyl radical c4h7  
1003 C4H8 methylcyclopropane mcp  
1004 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1005 CH2CHCH2CH3 1-Butene bute1  
1006 CH3CHCHCH3 2-Butene, (E)- bute2e  
1007 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1008 B(CH3)3 trimethylborane bme3  
1009 Al(CH3)3 trimethyl aluminum tma  
1010 C(CH3)3 Tert-butyl radical tbutyl  
1011 CH2CH(CH3)2 Isobutyl radical isobutyl  
1012 CH3CHCH2CH3 2-Butyl radical butyl2  
1013 CH3CH(CH3)CH3 Isobutane isobutane  
1014 CH3CH2CH2CH3 Butane butane  
1015 SiH(CH3)3 trimethylsilane trimsi  
1016 Li3N trilithium nitride li3n  
1017 C2N2 Cyanogen c2n2  
1018 C2N2+ Cyanogen cation c2n2+  
1019 P4 Phosphorus tetramer p4  
1020 As4 Arsenic tetramer as4  
1021 HCCCN Cyanoacetylene hcccn  
1022 HCCCN+ Cyanoacetylene cation hcccn+  
1023 C3H3N acrylonitrile ch2chcn  
1024 C3H3N+ acrylonitrile cation ch2chcn+  
1025 CH3N3 methyl azide ch3n3  
1026 NH2CCNH2 Diaminoacetylene daa  
1027 NH2CH2CN Aminoacetonitrile aan  
1028 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1029 C2H5CN ethyl cyanide c2h5cn  
1030 CH5N3 Guanidine guanidine  
1031 C4H6 Bicyclo[1.1.0]butane c157335  
1032 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1033 CH6N3+ guanidinium ch6n3+  
1034 C3H7N Cyclopropylamine cpram  
1035 CH7N3 triaminomethane tam  
1036 C3H7N Azetidine azet  
1037 C4H8 cyclobutane cbutane  
1038 C2H8N2 Ethylenediamine ethdiam  
1039 CH3NHNHCH3 dimethyl hydrazine dmh  
1040 CH3CH(NH2)CH3 2-Propanamine pram2  
1041 N(CH3)3 Trimethylamine trimeam  
1042 NH2CH2CH2CH3 1-Propanamine pram1  
1043 P(CH3)3 trimethylphosphine tmp  
1044 N(SiH3)3 trisilylamine tsa  
1045 As(CH3)3 trimethyl arsine tmas  
1046 (CH3)3NH+ protonated trimethyl amine ptma  
1047 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1048 Li2O2 dilithium dioxide li2o2  
1049 Na2O2 disodium dioxide na2o2  
1050 K2O2 dipotassium dioxide k2o2  
1051 C3O Tricarbon monoxide c3o  
1052 B2O2 Diboron dioxide b2o2  
1053 S2N2 Disulfur dinitride s2n2  
1054 CO3 Carbon trioxide co3  
1055 CO3-- carbonate co3--  
1056 CS3-- Carbonotrithioate cs3--  
1057 NO3 Nitrogen trioxide no3  
1058 NO3- nitrate anion no3-  
1059 NO3+ nitrogen trioxide cation no3+  
1060 SO3- Sulfur trioxide anion so3-  
1061 SO3-- Sulfate dianion so3--  
1062 SO3+ Sulfur trioxide cation so3+  
1063 SeO3 selenium trioxide seo3  
1064 TeO3 Tellurium trioxide teo3  
1065 HCO3- bicarbonate anion hco3-  
1066 HNO3 Nitric acid hno3  
1067 HSO3 Hydroxysulfonyl radical hso3  
1068 NH2NO2 nitramide nh2no2  
1069 C2H2CO cyclopropenone c2h2co  
1070 HCCCHO 2-propynal hcccho  
1071 C2H2O2 Ethanedial c2h2o2  
1072 C2H2O2+ Ethanedial cation c2h2o2+  
1073 H2CO3 Carbonic acid h2co3  
1074 H2CS3 thiocarbonic acid h2cs3  
1075 H2NO3+ Nitric Acid, Protonated h2no3+  
1076 H2SO3 Sulfurous acid h2so3  
1077 C2H3NO Nitrosoethylene c2h3no  
1078 HOCH2CN cyanomethanol hoch2cn  
1079 CH3COO- acetate anion ch3coo-  
1080 CH3NO2 Methane, nitro- ch3no2  
1081 CH3ONO Methyl nitrite ch3ono  
1082 NH2COOH Carbamic acid nh2cooh  
1083 H3BO3 Boric acid h3bo3  
1084 H3CO3+ carbonic acid, protonated h3co3+  
1085 C3H4O 2-Propyn-1-ol c107197  
1086 C3H4O allenol c9000071  
1087 C3H4O Cyclopropanone cpone  
1088 C3H4O Methylketene c6004440  
1089 CH2CHCHO Acrolein c3h4o  
1090 NH2CONH2 Urea urea  
1091 NH2CONH2+ Urea cation urea+  
1092 NH2CSNH2 Thiourea thiourea  
1093 C2H4O2 1,3-dioxetane c2h4o2  
1094 CH3COOH Acetic acid ch3cooh  
1095 CH3OCHO methyl formate ch3ocho  
1096 CHOCH2OH hydroxy acetaldehyde haa  
1097 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1098 NH3COOH+ protonated Carbamic acid nh3cooh+  
1099 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1100 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1101 HCOOHH2O Formic acid water dimer hcoohh2o  
1102 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1103 CH3COCH2 Acetonyl radical ch3coch2  
1104 CH3CHNOH Acetaldoxime acetaldoxime  
1105 CH3CONH2 Acetamide acetamide  
1106 HCONHCH3 N-methylformamide nmfa  
1107 CH5N2O+ urea, N-protonated ch4n2o+  
1108 H2NCOHNH2+ urea, protonated ureah+  
1109 C2H5OO ethylperoxy radical c2h5oo  
1110 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1111 C3H5OH Cyclopropanol cproh  
1112 C3H6O 2-Propen-1-ol c107186  
1113 C3H6O Acetone enol enol  
1114 C3H6O Oxetane oxetane  
1115 C3H6O Propylene oxide prox  
1116 CH3COCH3 Acetone acetone  
1117 CH3COCH3- acetone anion ch3coch3-  
1118 C3H6S Thietane thietane  
1119 C3H6S Thiirane, methyl- methiirane  
1120 CH3CSCH3 Thioacetone ch3csch3  
1121 C2H6O2 1,2-Ethanediol ethdiol  
1122 CH3OOCH3 dimethylperoxide dmp  
1123 CH3SOCH3 Dimethyl sulfoxide dmso  
1124 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1125 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1126 CH3COHCH3+ acetone, protonated acetoneh+  
1127 HOCH2CH2NH2 monoethanolamine mea  
1128 C3H7OH 1-Propanol proh  
1129 CH3CHOHCH3 Isopropyl alcohol isoproh  
1130 CH3OC2H5 Ethane, methoxy- etome  
1131 C3H7SH 1-Propanethiol prsh  
1132 CH3CHSHCH3 2-Propanethiol isoprsh  
1133 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1134 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1135 Na2F2 Sodium Fluoride Dimer na2f2  
1136 Na2Cl2 Disodium dichloride na2cl2  
1137 C2F2 difluoroacetylene c2f2  
1138 C2Cl2 dichloroacetylene c2cl2  
1139 C2Cl2+ dichloroacetylene cation c2cl2+  
1140 FNO2 Nitryl fluoride fno2  
1141 FONO Nitrosyl hypofluorite fono  
1142 ClNO2 Nitryl chloride clno2  
1143 ClONO chlorine nitrite clono  
1144 BrONO Bromine nitrite brono  
1145 N2F2 (Z)-Difluorodiazene n2f2_z  
1146 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1147 CF2O Carbonic difluoride f2co  
1148 COFCl Carbonic chloride fluoride cofcl  
1149 CCl2O Phosgene cl2co  
1150 Cl2CS Thiophosgene cl2cs  
1151 COBr2 Carbonic dibromide cobr2  
1152 BF3 Borane, trifluoro- bf3  
1153 BF3- Borane, trifluoro- anion bf3-  
1154 AlF3 Aluminum trifluoride alf3  
1155 BClF2 Chlorodifluoroborane bclf2  
1156 AlF2Cl Aluminum chloride difluoride alclf2  
1157 ScF3 Scandium trifluoride ScF3  
1158 AlFCl2 Aluminum dichloride fluoride alcl2f  
1159 BCl3+ Boron Trichloride cation bcl3+  
1160 GaF3 Gallium trifluoride gaf3  
1161 AlCl3 Aluminum trichloride alcl3  
1162 GaCl3 Gallium trichloride gacl3  
1163 BBr3 Boron tribromide bbr3  
1164 AlBr3 Aluminum Bromide albr3  
1165 ClO3 Chlorine trioxide clo3  
1166 ClO3- chlorate anion clo3-  
1167 BrO3- Bromate anion bro3-  
1168 CF3 Trifluoromethyl radical cf3  
1169 CF3- Trifluoromethyl anion cf3-  
1170 CF3+ Trifluoromethyl cation cf3+  
1171 SiF3 Silicon trifluoride radical sif3  
1172 SiF3+ Silicon trifluoride cation sif3+  
1173 CCl3 Trichloromethyl radical ccl3  
1174 CCl3- Trichloromethyl anion ccl3-  
1175 CCl3+ Trichloromethyl cation ccl3+  
1176 SiCl3 trichlorosilyl radical sicl3  
1177 SiCl3+ trichlorosilyl cation sicl3+  
1178 CBr3 tribromomethyl radical cbr3  
1179 FOOF Perfluoroperoxide foof  
1180 ClO2F Chloryl fluoride clo2f  
1181 F2SO Thionyl Fluoride f2so  
1182 ClOOCl Dichlorine dioxide cloocl  
1183 FSSF Difluorodisulfane fssf  
1184 S2F2 Thio-thionyl fluoride s2f2  
1185 SOCl2 thionyl chloride socl2  
1186 SeOCl2 selenium oxychloride seocl2  
1187 NF3 Nitrogen trifluoride nf3  
1188 NF3- Nitrogen trifluoride anion nf3-  
1189 NF3+ Nitrogen trifluoride cation nf3+  
1190 PF3 Phosphorus trifluoride pf3  
1191 NCl3 nitrogen trichloride ncl3  
1192 AsF3 Arsenic trifluoride asf3  
1193 PCl3 Phosphorus trichloride pcl3  
1194 SbF3 Antimony Trifluoride sbf3  
1195 AsCl3 Arsenous trichloride ascl3  
1196 SbCl3 Antimony Trichloride sbcl3  
1197 PBr3 Phosphorus tribromide pbr3  
1198 AsBr3 Arsenic tribromide asbr3  
1199 NI3 Nitrogen triiodide ni3  
1200 PI3 Phosphorus triiodide pi3  
1201 ClSSCl Disulfur dichloride s2cl2  
1202 SF3 Sulfur trifluoride sf3  
1203 ClF3 Chlorine trifluoride clf3  
1204 BrF3 Bromine trifluoride brf3  
1205 IF3 iodone trifluoride if3  
1206 HClO3 Chloric Acid hclo3  
1207 CHF3 Methane, trifluoro- chf3  
1208 CHF2Cl difluorochloromethane chf2cl  
1209 CHFCl2 fluorodichloromethane chfcl2  
1210 CDCl3 trichloromethane-d cdcl3  
1211 CHCl3 Chloroform chcl3  
1212 CHBrF2 Methane, bromodifluoro- chbrf2  
1213 SiHCl3 Trichlorosilane sihcl3  
1214 CHFClBr fluorochlorobromomethane chfclbr  
1215 CHBrCl2 Methane, bromodichloro- chbrcl2  
1216 CHF2I difluoroiodomethane chf2i  
1217 CHFClI fluorochloroiodomethane chfcli  
1218 CHCl2I dichloroiodomethane chcl2i  
1219 CHClBr2 Methane, dibromochloro- chclbr2  
1220 CHBr3 bromoform chbr3  
1221 CHI3 Iodoform chi3  
1222 NF3H+ protonated nitrogen trifluoride nf3h+  
1223 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1224 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1225 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1226 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1227 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1228 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1229 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1230 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1231 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1232 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1233 C2H2Br2 1,1-dibromoethene c2h2br2  
1234 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1235 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1236 CH2FCHO Fluoroacetaldehyde ch2fcho  
1237 CH3COF Acetyl fluoride ch3cof  
1238 CH2ClCHO chloroacetaldehyde ch2clcho  
1239 CH3COCl Acetyl Chloride ch3cocl  
1240 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1241 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1242 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1243 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1244 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1245 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1246 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1247 CH2CFCH3 2-fluoropropene 2fpro  
1248 CH2CHCH2F Allyl Fluoride allylf  
1249 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1250 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1251 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1252 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1253 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1254 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1255 CH3CHFCH3 2-Fluoropropane prf2  
1256 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1257 CH3CHClCH3 Propane, 2-chloro- prcl2  
1258 CH3CH2CH2Br n-propyl bromide prbr  
1259 CH3CHBrCH3 i-propyl bromide iprbr  
1260 C3H9O+ trimethyl oxonium cation c3h9o+  
1261 B5H9 pentaborane9 b5h9  
1262 C5H4 pentatetraene ptrene  
1263 C5H5 cyclopentadienyl radical c5h5  
1264 C5H5- cylopentadienyl anion c5h5-  
1265 C5H6 1,3-Cyclopentadiene c542927  
1266 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1267 C5H6 3-Penten-1-yne, (E)- c2004695  
1268 C5H6 3-Penten-1-yne, (Z)- c1574409  
1269 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1270 C5H6 Cyclopropylacetylene c6746947  
1271 C5H6 Propellane propellane  
1272 C5H7 1,3-pentadienyl radical pdyl  
1273 C5H7 cyclopentenyl radical cpyl  
1274 C5H8 1,2-Butadiene, 3-methyl- c598254  
1275 C5H8 1,2-Pentadiene c591957  
1276 C5H8 1,3-Butadiene, 2-methyl- c78795  
1277 C5H8 1,3-Pentadiene, (E)- c2004708  
1278 C5H8 1,3-Pentadiene, (Z)- c1574410  
1279 C5H8 1,4-Pentadiene c591935  
1280 C5H8 1-pentyne a1pentyne  
1281 C5H8 2,3-Pentadiene c591968  
1282 C5H8 Bicyclo[1.1.1]pentane bcp  
1283 C5H8 Cyclobutane, methylene- c1120565  
1284 C5H8 Cyclopentene c142290  
1285 C5H8 Ethenylcyclopropane c693867  
1286 CH3CCCH2CH3 2-Pentyne 2pentyne  
1287 C5H10 1-Butene, 2-methyl- c563462  
1288 C5H10 2-Butene, 2-methyl- c513359  
1289 C5H10 2-Pentene, (E)- c646048  
1290 C5H10 2-Pentene, (Z)- c627203  
1291 C5H10 Cyclopentane c287923  
1292 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1293 CH2CHCH2CH2CH3 1-pentene pentene  
1294 C5H11 2-Methylbut-2-yl radical c4348350  
1295 C5H12 Butane, 2-methyl- buta2  
1296 C5H12 Pentane pentane  
1297 C5H12 Propane, 2,2-dimethyl- neopentane  
1298 Si(CH3)4 tetramethylsilane tms  
1299 N2O3 Dinitrogen trioxide n2o3  
1300 C3H2N2 Malononitrile c3h2n2  
1301 CH2N4 1H-Tetrazole 1htz  
1302 C3H3N2 imidazolyl radical im  
1303 C3H3N2- imidizolyl anion im-  
1304 C2H3N3 1H-1,2,4-Triazole c288880  
1305 C4H4N pyrrolide radical c4h4n  
1306 C4H4N- pyrrolide anion c4h4n-  
1307 C3H4N2 1H-Imidazole 1himidaz  
1308 C3H4N2 1H-Pyrazole 1hpyraz  
1309 C3H4N2 2H-Imidazole imid2h  
1310 C3H4N2 4H-Imidazole imid4h  
1311 C4H5N (E)-2-Butenenitrile c627269  
1312 C4H5N (Z)-2-Butenenitrile c1190767  
1313 C4H5N 2H-pyrrole pyrrole2  
1314 C4H5N 3H-pyrrole pyrrole3  
1315 C4H5N Cyclopropanecarbonitrile c5500210  
1316 C4H5N Pyrrole pyrrole  
1317 CH2CHCH2CN Allylcyanide ch2chch2cn  
1318 C4H6N+ pyrrole, alpha-protonated appyr  
1319 C4H6N+ pyrrole, beta-protonated bppyr  
1320 C4H6N+ pyrrole, protonated ppyr  
1321 C3H6N2 3-Aminopropionitrile c151188  
1322 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1323 CH3CH2CH2CN Butanenitrile c109740  
1324 C5H8 Bicyclo[2.1.0]pentane c185944  
1325 C5H8 Spiropentane c157404  
1326 C4H9N Cyclobutylamine cbam  
1327 C4H9N Pyrrolidine pyrrolidine  
1328 C3H10N2 1,2-Diaminopropane diampr12  
1329 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1330 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1331 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1332 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1333 NH(C2H5)2 diethylamine dea  
1334 NC4H12+ tetramethyl ammonium cation nc4h12+  
1335 C3O2+ Carbon suboxide cation c3o2+  
1336 B2O3 diboron trioxide b2o3  
1337 MgCO3 Magnesium Carbonate mgco3  
1338 BeCO3 Beryllium Carbonate beco3  
1339 CaCO3 Calcium Carbonate caco3  
1340 ONONO Nitrosyl nitrite onono  
1341 PO4--- phosphate po4---  
1342 SO4-- sulfate so4--  
1343 HOONO2 peroxy nitric acid hoono2  
1344 HSO4- bisulfate anion hso4-  
1345 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1346 C3H2O2 Propiolic acid c3h2o2  
1347 CHOCOOH oxo acetic acid oaa  
1348 H2SO4 Sulfuric acid h2so4  
1349 H2SeO4 Selenic acid h2seo4  
1350 C3H3NO Isoxazole isox  
1351 C3H3NO Oxazole oxazole  
1352 C3H3NS Thiazole thiazole  
1353 CH3C(O)OO acetyl peroxy radical ch3coo2  
1354 CH3NO3 Methyl nitrate ch3no3  
1355 H3PO4 Phosphoric Acid h3po4  
1356 C4H4O Furan furan  
1357 C4H4O+ Furan cation furan+  
1358 CH3COCCH 3-butyn-2-one c1423605  
1359 C4H4S Thiophene furans  
1360 C3H4O2 β–Propiolactone beta  
1361 C3H4O2 2-Propenoic acid propenoic2  
1362 C3H4O2 Methyl glyoxal megly  
1363 C3H4O2 propanedial propanedial  
1364 C3H4O2 propenalol propenalol  
1365 HOCHCCHOH allenediol aldiol  
1366 C2H4O3 1,2,3-trioxolane c2h4o3  
1367 C2H4O3 trioxolane124 triox  
1368 HOCH2COOH Hydroxyacetic acid hac  
1369 CH2CHCONH2 Acrylamide c79061  
1370 CH3OCH2CN Methoxyacetonitrile c1738369  
1371 CH5N3S Hydrazinecarbothioamide c79196  
1372 H2NCH2COOH Glycine glycine  
1373 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1374 C4H6O cis-2-butenal butenal2c  
1375 C4H6O Cyclobutanone cbutone  
1376 C4H6O Furan, 2,3-dihydro- furan23h  
1377 C4H6O Furan, 2,5-dihydro- furan25h  
1378 CH2CHOCHCH2 Vinyl ether vinylether  
1379 CHOCHCHCH3 2-Butenal butenal2  
1380 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1381 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1382 CH2CHSCHCH2 Divinyl sulfide divis  
1383 C2H6N2O Urea, methyl- c598505  
1384 C3H6O2 1,3-Dioxolane dioxolane  
1385 CH3CH2COOH Propanoic Acid propanoic  
1386 CH3COOCH3 methyl acetate aame  
1387 HCOOC2H5 Ethyl formate faee  
1388 C2H6O2S Dimethyl sulfone c67710  
1389 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1390 C3H7NO dimethylformamide dmf  
1391 C3H7NO Propanamide propanam  
1392 C2H3OC2H5 Ethene, ethoxy- c109922  
1393 C4H8O Cyclobutanol c2919235  
1394 C4H8O Furan, tetrahydro- thf  
1395 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1396 CH3COCH2CH3 2-Butanone buta2one  
1397 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1398 CHOCH2CH2CH3 Butanal butanal  
1399 C4H8S Thiophene, tetrahydro- tht  
1400 C3H8O2 1,3-Propanediol c504632  
1401 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1402 C3H8O2 Methane, dimethoxy- c109875  
1403 C3H8O2 Propylene glycol c57556  
1404 C3H8S2 1,3-Propanedithiol c109808  
1405 C4H10O 1-Butanol butanol1  
1406 C4H10O 1-Propanol, 2-methyl- c78831  
1407 C4H10O 2-Butanol, (.+/-.)- butanol2  
1408 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1409 C4H10O Ethoxy ethane etoet  
1410 C4H10O Methyl propyl ether meopr  
1411 C4H10O Propane, 2-methoxy- c598538  
1412 C4H10O+ 1-Butanol cation butanol1+  
1413 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1414 C2H5SC2H5 Diethyl sulfide etset  
1415 C4H9SH 1-Butanethiol bush  
1416 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1417 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1418 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1419 FNO3 Fluorine nitrate fno3  
1420 ClONO2 Chlorine nitrate clono2  
1421 BrONO2 Bromine nitrate brono2  
1422 TiCl4 Titanium tetrachloride ticl4  
1423 ClO4- perchlorate anion clo4-  
1424 BF4- tetrafluoroboron anion bf4-  
1425 ClFO3 Perchloryl fluoride clfo3  
1426 SO2F2 Sulfuryl fluoride so2f2  
1427 SO2Cl2 Sulfuryl chloride so2cl2  
1428 F3NO Nitrogen trifluoride oxide f3no  
1429 F3PO Phosphoryl fluoride pf3o  
1430 Cl3PO Phosphoryl chloride pcl3o  
1431 CF4 Carbon tetrafluoride cf4  
1432 CF3Cl Methane, chlorotrifluoro- cf3cl  
1433 SiF4 Silicon tetrafluoride sif4  
1434 CF2Cl2 difluorodichloromethane cf2cl2  
1435 TiF4 Titanium tetrafluoride tif4  
1436 CFCl3 Trichloromonofluoromethane cfcl3  
1437 CF3Br Bromotrifluoromethane cf3br  
1438 GeF4 Germanium tetrafluoride gef4  
1439 CCl4 Carbon tetrachloride ccl4  
1440 CCl4+ Carbon tetrachloride cation ccl4+  
1441 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1442 SiCl4 Silane, tetrachloro- sicl4  
1443 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1444 CF3I trifluoroiodomethane cf3i  
1445 CBrCl3 Methane, bromotrichloro- cbrcl3  
1446 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1447 GeCl4 Germanium Tetrachloride gecl4  
1448 CBr2Cl2 dibromodichloromethane cbr2cl2  
1449 CCl3I trichloroiodomethane ccl3i  
1450 CFBr3 fluorotribromomethane cfbr3  
1451 CFClBrI fluorochlorobromoiodomethane cfclbri  
1452 CBr3Cl tribromochloromethane cbr3cl  
1453 CF2I2 difluorodiiodomethane cf2i2  
1454 CBr4 Carbon tetrabromide cbr4  
1455 CCl2I2 dichlorodiiodomethane ccl2i2  
1456 SiBr4 Silicon tetrabromide sibr4  
1457 CBr3I tribromoiododmethane cbr3i  
1458 GeBr4 Germanium tetrabromide gebr4  
1459 CI4 tetraiodomethane ci4  
1460 SiI4 silicon tetraiodide sii4  
1461 ClOF3 Chlorine trifluoride oxide clof3  
1462 SeF4 Selenium tetrafluoride sef4  
1463 SCl4 Sulfur tetrachloride scl4  
1464 C2HF3 Trifluoroethylene c2hf3  
1465 C2HF3+ Trifluoroethylene cation c2hf3+  
1466 CHClCCl2 Trichloroethylene chclccl2  
1467 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1468 HClO4 perchloric acid hclo4  
1469 HSO3F Fluorosulfonic acid hso3f  
1470 CF3OH trifluoromethanol cf3oh  
1471 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1472 CHClCCHCl 1,3-dichloroallene chclcchcl  
1473 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1474 CHCl2CHO dichloroacetaldehyde chcl2cho  
1475 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1476 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1477 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1478 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1479 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1480 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1481 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1482 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1483 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1484 NH3BCl3 Amminetrichloroboron nh3bcl3  
1485 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1486 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1487 C3H5ClO Oxirane, (chloromethyl)- c106898  
1488 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1489 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1490 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1491 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1492 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1493 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1494 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1495 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1496 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1497 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1498 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1499 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1500 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1501 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1502 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1503 C4H9F 1-fluorobutane butaf1  
1504 CH3CHFCH2CH3 2-fluorobutane butaf2  
1505 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1506 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1507 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1508 XeF4 Xenon tetrafluoride xef4  
1509 C2H2N2O Furazan furazan  
1510 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1511 NH3BF3 Amminetrifluoroboron nh3bf3  
1512 C6H2 hexatriyne c6h2  
1513 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1514 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1515 C6H4 Benzyne benzyne  
1516 C6H5 phenyl phenyl  
1517 C6H5- phenyl anion phenyl-  
1518 C6H6 1,2,4,5-Hexatetraene ht1245  
1519 C6H6 2,4-Hexadiyne hexadiyne  
1520 C6H6 3,4-Dimethylenecyclobutene cb34m  
1521 C6H6 Benzene benzene  
1522 C6H6 Benzvalene bv  
1523 C6H6 Hexa-1,5-diene-3-yne hdy153  
1524 C6H6 Trimethylenecycopropane tmcp  
1525 C6H6+ Benzene cation c6h6+  
1526 C6H7+ benzene, protonated c6h7+  
1527 C6H8 (E)-hexa-1,3,5-triene c821078  
1528 C6H8 (E)-hexa-2,3,4-triene c59660650  
1529 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1530 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1531 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1532 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1533 C6H8 3-Methylenecyclopentene c930267  
1534 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1535 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1536 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1537 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1538 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1539 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1540 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1541 C6H10 1,5-Hexadiene c592427  
1542 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1543 C6H10 1-Hexyne hexyne1  
1544 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1545 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1546 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1547 C6H10 2-Hexyne c764352  
1548 C6H10 3-Hexyne hexyne3  
1549 C6H10 cyclohexene cyclohexene  
1550 C6H10 Cyclopentene, 1-methyl- c693890  
1551 C6H10 Cyclopentene, 3-methyl- c1120623  
1552 C6H10 Cyclopentene, 4-methyl- c1759815  
1553 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1554 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1555 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1556 C6H12 (E)-2-Hexene e2hexene  
1557 C6H12 (E)-3-methylpent-2-ene c616126  
1558 C6H12 (E)-hex-3-ene e3hexene  
1559 C6H12 (Z)-3-methylpent-2-ene c922623  
1560 C6H12 (Z)-hex-2-ene z2hexene  
1561 C6H12 (Z)-hex-3-ene z3hexene  
1562 C6H12 2,3-dimethylbut-1-ene c563780  
1563 C6H12 2,3-dimethyl-but-2-ene tmeet  
1564 C6H12 3-methylenepentane c760214  
1565 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1566 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1567 C6H12 Cyclohexane cyclohexane  
1568 C6H12 Cyclopentane, methyl- c96377  
1569 C6H12 Ethylcyclobutane c4806615  
1570 C6H12 hex-1-ene hexene1  
1571 C6H14 Butane, 2,2-dimethyl- buta22  
1572 C6H14 Butane, 2,3-dimethyl- buta23  
1573 C6H14 Hexane hexane  
1574 C6H14 Pentane, 2-methyl- penta2  
1575 C6H14 Pentane, 3-methyl- penta3  
1576 C4N2 2-Butynedinitrile c4n2  
1577 C4H2N2 Fumaronitrile c4h2n2  
1578 C2H2N4 sym-tetrazine ttz  
1579 C3H3N3 1,3,5-Triazine triazine135  
1580 CH3N5 5-Aminotetrazole c4418615  
1581 C4H4N2 1,3-Diazine diazine13  
1582 C4H4N2 Pyrazine pyrazine  
1583 C4H4N2 Pyridazine pyridazine  
1584 C4H4N2 Succinonitrile c110612  
1585 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1586 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1587 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1588 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1589 C5H5N E-2,4-pentadienenitrile bdcn  
1590 C5H5N Pyridine pyridine  
1591 B3N3H6 borazine borazine  
1592 C6H6 Fulvene fulvene  
1593 C5H6N+ Pyridinium c5h6n  
1594 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1595 C5H7N (E)-2-Pentenenitrile c26294984  
1596 C5H7N (E)-3-Pentenenitrile c16529661  
1597 C5H7N (Z)-2-Pentenenitrile c25899507  
1598 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1599 C5H7N Cyclobutanecarbonitrile c4426113  
1600 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1601 C5H9N Butanenitrile, 2-methyl- c18936179  
1602 C5H9N Pentanenitrile c110598  
1603 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1604 C6H10 Bicyclo[3.1.0]hexane c285585  
1605 C5H11N Cyclopentanamine cypentam  
1606 C5H11N Piperidine piper  
1607 C4H12N2 1,2-Butanediamine c4426486  
1608 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1609 Li2CO3 Lithium Carbonate li2co3  
1610 Na2CO3 Sodium Carbonate na2co3  
1611 C2O4-- oxalate anion c2o4  
1612 MgSO4 Magnesium Sulfate mgso4  
1613 N2O4 Dinitrogen tetroxide n2o4  
1614 C2H2O4 Oxalic Acid oxalic  
1615 C2H3NO3 Oxamic acid oxamic  
1616 C4H4O2 2(5H)-Furanone furanone  
1617 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1618 C2H4N2O2 Oxalamide oxalamide  
1619 C2H4N2S2 Ethanedithioamide c79403  
1620 C2H4CO3 Ethylene carbonate etco3  
1621 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1622 C3H4S3 1,3-Dithiolane-2-thione c822388  
1623 C2H4O4 Formic acid dimer fadimer  
1624 C4H5NO 3-Methylisoxazole isox3m  
1625 C4H5NO Isoxazole, 5-methyl- c5765446  
1626 C4H5NS 4-Methylthiazole c693958  
1627 C2H5NO3 Nitric acid, ethyl ester c625581  
1628 C5H6O 2H-Pyran pyran2  
1629 C5H6O 2-methylfuran furan2m  
1630 C5H6O 3-Methylfuran furan3m  
1631 C5H6O Pentadienal pdal  
1632 C5H6S Thiophene, 2-methyl- c554143  
1633 C5H6S Thiophene, 3-methyl- c616444  
1634 C4H6O2 γ–Butyrolactone c96480  
1635 C4H6O2 2,3-Butanedione c431038  
1636 C4H6O2 2-Propenoic acid, methyl ester c96333  
1637 C4H6O2 Crotonic Acid crot  
1638 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1639 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1640 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1641 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1642 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1643 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1644 C4H6OS Vinyl sulfoxide c1115157  
1645 CH6N4S Carbonothioic dihydrazide thiacarb  
1646 C2H6N2O2 (E)-Azodioxymethane c37765154  
1647 C2H6N2O2 Dimethylnitroamine c4164287  
1648 C3H6O3 1,3,5-Trioxane trioxane  
1649 C3H6S3 1,3,5-Trithiane c3h6s3  
1650 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1651 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1652 C4H7NO 2-Pyrrolidinone c616455  
1653 C4H7NO Ethoxyacetonitrile etoaccn  
1654 C4H7NO Methacrylamide c79390  
1655 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1656 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1657 C3H7ONO Propyl nitrite prono  
1658 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1659 CH3CH(NH2)COOH Alanine alanine  
1660 CH3NHCH2COOH Sarcosine sarcosine  
1661 NH2CH2CH2COOH β–alanine betaalanine  
1662 NH2COOC2H5 Urethane urethane  
1663 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1664 C5H8O Cyclopentanone c120923  
1665 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1666 C5H8O Methyl cyclopropyl ketone c765435  
1667 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1668 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1669 NH2CONHC2H5 Urea, ethyl- c625525  
1670 C4H8O2 1,3-Dioxane dioxan13  
1671 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1672 C4H8O2 1,4-Dioxane dioxan14  
1673 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1674 C4H8O2 Ethyl acetate c141786  
1675 C4H8OS s-Ethyl thioacetate c625605  
1676 C3H8O3 1,2,3-Propanetriol glycerin  
1677 C3H8O2S (Methylsulfonyl)ethane c594434  
1678 C4H9NO Butanamide c541355  
1679 C4H9NO Propanamide, 2-methyl- c563837  
1680 C5H10O 2-Butanone, 3-methyl- c563804  
1681 C5H10O 2H-Pyran, tetrahydro- c142687  
1682 C5H10O 2-methylbutyraldehyde 2meba  
1683 C5H10O 2-Pentanone mpk  
1684 C5H10O 3-Pentanone dek  
1685 C5H10O Cyclopentanol c96413  
1686 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1687 C5H10O Pentanal pal  
1688 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1689 C5H10S 3-Ethylthio-1-propene c5296628  
1690 C5H10S Cyclopentanethiol c1679078  
1691 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1692 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1693 C4H10O2 1,1-Dimethoxyethane c534156  
1694 C4H10O2 1,3-Butanediol budiol13  
1695 C4H10O2 1,4-Butanediol budiol14  
1696 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1697 C4H10OS Diethyl sulfoxide c70291  
1698 C4H10S2 1,4-Butanedithiol budisl14  
1699 C4H11NO Diethylhydroxylamine c3710847  
1700 C5H12O 1-Butanol, 2-methyl- c137326  
1701 C5H12O 1-Butanol, 3-methyl- c123513  
1702 C5H12O 1-Pentanol pentanol1  
1703 C5H12O 2-Butanol, 3-methyl- c598754  
1704 C5H12O 2-Pentanol peol2  
1705 C5H12O 3-Pentanol pentan3ol  
1706 C5H12O Butane, 1-methoxy- meobu  
1707 C5H12O Propane, 1-ethoxy- proet  
1708 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1709 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1710 C5H12S 1-Butanethiol, 3-methyl- c541311  
1711 C5H12S 1-Pentanethiol c110667  
1712 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1713 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1714 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1715 C5H12S Butane, 1-(methylthio)- c628295  
1716 C5H12S Ethyl propyl sulfide c4110503  
1717 C5H12S Propane, 2-(ethylthio)- c5145993  
1718 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1719 C4F2 difluorobutadiyne c4f2  
1720 ClCOClCO Oxalyl chloride oxcl  
1721 CF3CN Acetonitrile, trifluoro- cf3cn  
1722 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1723 B2F4 Diboron tetrafluoride b2f4  
1724 B2Cl4 Diboron tetrachloride b2cl4  
1725 C2F4 Tetrafluoroethylene c2f4  
1726 C2F4+ Tetrafluoroethylene cation c2f4+  
1727 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1728 CF2CCl2 difluorodichloroethylene cf2ccl2  
1729 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1730 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1731 C2FCl3 fluorotrichloroethene c2fcl3  
1732 C2Cl4 Tetrachloroethylene c2cl4  
1733 C2Br4 tetrabromoethene c2br4  
1734 CF3OF Trifluoromethylhypofluorite cf3of  
1735 SiF5- silicon pentafluoride anion sif5-  
1736 SOF4 Sulfur tetrafluoride oxide sof4  
1737 PF5 Phosphorus pentafluoride pf5  
1738 AsF5 Arsenic pentafluoride asf5  
1739 PCl5 Phosphorus pentachloride pcl5  
1740 SF5 Sulfur pentafluoride sf5  
1741 SF5+ pentafluoro sulfur cation sf5+  
1742 SbCl5 Antimony pentachloride sbcl5  
1743 BrF5 bromine pentafluoride brf5  
1744 ClF5 chlorinepentafluoride clf5  
1745 IF5 pentafluoroiodine if5  
1746 CF3CHO trifluoroacetaldehyde cf3cho  
1747 CCl3CHO trichloroacetaldehyde ccl3cho  
1748 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1749 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1750 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1751 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1752 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1753 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1754 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1755 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1756 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1757 CF3COOH trifluoroacetic acid cf3cooh  
1758 C4H3ClO Furan, 2-chloro fur2cl  
1759 C4H3ClO Furan,3-chloro fur3cl  
1760 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1761 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1762 C4H8Cl2 1,4-Dichlorobutane c110565  
1763 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1764 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1765 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1766 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1767 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1768 C5H11Cl Pentane, 1-chloro- pencl1  
1769 C4H8O2 Butanoic acid bua  
1770 C6H5CH2 benzyl radical benzyl  
1771 C7H7 cycloheptatrienyl radical c7h7  
1772 C7H7+ cycloheptatrienyl cation c7h7+  
1773 C6H5CH3 toluene toluene  
1774 C7H8 cycloheptatriene cht  
1775 C7H8 Norbornadiene norbor  
1776 C7H8 Quadricyclane qucy  
1777 C7H12 Norbornane nor  
1778 C7H14 cycloheptane c7h14  
1779 C7H16 2-methylhexane 2mhex  
1780 C7H16 3-methylhexane hex3m  
1781 C7H16 heptane heptane  
1782 CH(CN)3 tricyanomethane mecn3  
1783 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1784 C6H7N 2-Methylpyridine mp  
1785 C6H5NH2 aniline aniline  
1786 C6H13N 2-Methylpiperidine pip2m  
1787 C6H13N cyclohexanamine cham  
1788 C6H15N triethylamine tea  
1789 N2O5 Dinitrogen pentoxide n2o5  
1790 C4H2O3 Maleic Anhydride malan  
1791 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1792 C5H4O2 furfural furfural  
1793 C6H5O phenoxy radical phenoxy  
1794 C5H5NO 2(1H)-Pyridinone c72762006  
1795 C5H5NO 2(3H)-Pyridinone c9000048  
1796 C5H5NO 2(5H)-Pyridinone c9000037  
1797 C5H5NO 2-Pyridinol c109104  
1798 C5H5NO 3(2H)-Pyridinone c9000004  
1799 C5H5NO 3(4H)-Pyridinone c9000026  
1800 C5H5NO 3(6H)-Pyridinone c9000015  
1801 C5H5NO 3-Pyridinol c109002  
1802 C5H5NO 4(1H)-Pryidinone c9000060  
1803 C5H5NO 4(3H)-Pryidinone c9000059  
1804 C5H5NO 4-Pyridinol c626642  
1805 C6H5OH phenol phenol  
1806 C6H6O 2,4-Cyclohexadienone c24599573  
1807 C6H6O 2,5-Cyclohexadienone c5664335  
1808 C6H5SH Benzenethiol phsh  
1809 HO2CCHNH2CH2OH Serine serine  
1810 C5H8O2 Acetylacetone acac  
1811 C4H8O2S Sulfolane sulfolane  
1812 C7H10 Norbornene norbornene  
1813 CH(C2H3)3 trivinyl methane tvm  
1814 C6H10O cyclohexanone chexo  
1815 C6H12O hexanal c6h12o  
1816 C6H12O Oxepane oxepane  
1817 C3H7OC3H7 di-n-propyl ether propr  
1818 F2CCCF2 tetrafluoroallene pfa  
1819 CF3COO- trifluoro acetate anion cf3coo-  
1820 CF3COF trifluoroacetyl fluoride cf3cof  
1821 CF3COCl trifluoroacetyl chloride cf3cocl  
1822 PF6 Hexafluorophosphate neutral pf6  
1823 PF6- Hexafluorophosphate ion pf6-  
1824 SeF6 Selenium hexafluoride sef6  
1825 SF5Cl sulfur chloropentafluoride sf5cl  
1826 CF3CHF2 pentafluoroethane cf3chf2  
1827 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1828 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1829 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1830 CCl3CHCl2 pentachloroethane ccl3chcl2  
1831 C6H5F Fluorobenzene bzf  
1832 C6H5Cl chlorobenzene bzcl  
1833 C6H5Br bromobenzene bzbr  
1834 C8H6 Calicene calicene  
1835 C6H5CCH phenylacetylene phac  
1836 C8H6 benzocyclobutadiene bcbd  
1837 C8H6 Pentalene pentalene  
1838 C6H5CHCH2 Styrene styrene  
1839 C8H8 cubane cubane  
1840 C8H8 cyclooctatetraene cot  
1841 C6H5CH2CH3 Ethylbenzene etbz  
1842 CH3C6H4CH3 meta-xylene mxylene  
1843 CH3C6H4CH3 paraxylene pxylene  
1844 C8H14 Bicyclo[2.2.2]octane bico222  
1845 C8H16 cyclooctane cyclooct  
1846 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1847 C8H18 Octane c8h18  
1848 C6H5CN phenyl cyanide phcn  
1849 C6H12N2 Triethylenediamine ted  
1850 C4O4-- squarate dianion c4o4--  
1851 S4N4 Tetrasulfur tetranitride s4n4  
1852 S8 Octasulfur s8  
1853 C6H4O2 parabenzoquinone pbq  
1854 C4H4N2O2 Uracil uracil  
1855 C6H5CHO benzaldehyde benzal  
1856 C6H5OCH3 Anisole anisole  
1857 C5H9NO2 Proline proline  
1858 C6H12O2 Methyl pivalate c598981  
1859 C6H12O2 Hexanoic acid hexa  
1860 C4F4 tetrafluorcyclobutadiene c4f4  
1861 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1862 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1863 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1864 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1865 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1866 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1867 C2F6 hexafluoroethane c2f6  
1868 C2Cl6 hexachloroethane c2cl6  
1869 IF7 Iodine heptafluoride if7  
1870 C6H4F2 metadifluorobenzene mdfb  
1871 C6H4F2 orthodifluorobenzene odfb  
1872 C6H4F2 1,4-difluorobenzene pdfb  
1873 C6H4Cl2 1,2-dichlorobenzene dcb12  
1874 C6H4Cl2 1,3-dichlorobenzene dcb13  
1875 C6H4Cl2 1,4-dichlorobenzene dcb14  
1876 C6H5NO nitrosobenzene bzno  
1877 C9H8 Indene indene  
1878 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1879 C9H12 n-propyl benzene prbz  
1880 C9H20 Nonane nonane  
1881 C(CN)4 tetracyanomethane c5n4  
1882 C5H4N4 purine purine  
1883 C8H7N Indole indole  
1884 C3H3N3O3 cyanuric acid cyanuric  
1885 C6H5NO2 Nitrobenzene c6h5no2  
1886 C6H5COOH benzoic acid benzo  
1887 CH3COC6H5 acetophenone acph  
1888 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1889 C3F6 hexafluoropropene c3f6  
1890 C6H3F3 Benzene trifluoride 123 bzf3a  
1891 C8H18O 1-Octanol octanol  
1892 C10H8 Azulene azu  
1893 C10H8 naphthalene naph  
1894 C10H10 bullvalene bullv  
1895 C10H16 adamantane adamantane  
1896 C6N4 Tetracyanoethylene tcne  
1897 C6N4- tetracyanoethylene anion tcne-  
1898 C10H22 Decane decane  
1899 C4F6 perfluorobutadiene c4f6  
1900 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1901 C3F8 perfluoropropane c3f8  
1902 Fe(CO)5 Iron pentacarbonyl ipc  
1903 Fe(C5H5)2 ferrocene fecp2  
1904 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1905 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1906 C12H8 Acenaphthylene acenaph  
1907 C12H8 biphenylene biph  
1908 C12H10 biphenyl biphenyl  
1909 C12H10 Heptalene heptalene  
1910 C6H12O6 Inositol inositol  
1911 C6F6 hexafluorobenzene c6f6  
1912 S2F10 disulphur decafluoride s2f10  
1913 C13H10 Fluorene fluorene  
1914 C14H10 Anthracene anth  
1915 C14H10 Phenanthrene phenanthrene  
1916 C14H14 Bibenzyl bibenzyl  
1917 C12H10N2 azobenzene azobenzene  
1918 C6H5COC6H5 benzophenone benzophenone  
1919 C16H10 Pyrene pyrene  
1920 C18H12 Tetracene tetracene  
1921 C19H16 Triphenylmethane tpm  
1922 C24H12 Coronene coronene  
1923 C60 Buckminsterfullerene c60