National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

---

NIST policy on privacy, security, and accessibility.

---

© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

III.F.1. (I.A.4.)

List of which calculations are completed at MP2=FULL /cc-pV(T+d)Z

Jump to calculations not yet done

count	Species	Name	State	Conformation
1	H	Hydrogen atom	1S	Kh
2	H+	Hydrogen atom cation		Kh
3	H2-	hydrogen diatomic anion	2Σu+	D∞h
4	H2+	Hydrogen cation	2Σg+	D∞h
5	H3+	hydrogen trimer cation	1A1'	D3h
6	He	Helium atom	1S	Kh
7	He2+	helium diatomic cation	2Σu	D∞h
8	Li	Lithium atom	2S	Kh
9	Na+	Sodium atom cation	1S	Kh
10	LiH	Lithium Hydride	1Σ	C∞v
11	LiH-	lithium hydride anion	2Σ	C∞v
12	LiH+	lithium hydride cation	2Σ	C∞v
13	NaH-	sodium hydride anion	2Σ	C∞v
14	NaH+	sodium hydride cation	2Σ	C∞v
15	BeH	beryllium monohydride	2Σ	C∞v
16	BeH-	berylium monohydride anion	1Σ	C∞v
17	BeH+	beryllium monohydride cation	1Σ	C∞v
18	MgH-	magnesium monohydride anion	1Σ	C∞v
19	MgH+	magnesium monohydride cation	1Σ	C∞v
20	B	Boron atom	2P	Kh
21	Al	Aluminum atom	2P	Kh
22	BH-	boron monohydride anion	2Π	C∞v
23	BH+	boron monohydride cation	2Σ	C∞v
24	AlH	aluminum monohydride	1Σ	C∞v
25	AlH2	aluminum dihydride	2A1	C2v
26	AlH3	aluminum trihydride	1A1'	D3h
27	BH4-	borohydride anion	1A1	Td
28	AlH4-	Aluminum tetrahydride anion	1A1	Td
29	C	Carbon atom	3P0	Kh
30	Si	Silicon atom	3P	Kh
31	CH	Methylidyne	2Π1/2	C∞v
32	CH-	methylidyne anion	3Σ	C∞v
33	CH+	Methylidyne cation	1Σ	C∞v
34	SiH	Silylidyne	2Π	C∞v
35	CH2	Methylene	1A1	C2v
36	CH2-	methylene anion	2B1	C2v
37	CH2+	methylene cation	2A1	C2v
38	SiH2	silicon dihydride	1A1	C2v
39	SiH2	silicon dihydride	3B1	C2v
40	CH3-	methyl anion	1A1	C3v
41	CH3+	methyl cation	1A1'	D3h
42	SiH3	Silyl radical	2A1	C3v
43	SiH3+	Silyl cation	1A1'	D3h
44	CH4	Methane	1A1	Td
45	SiH4	Silane	1A1	Td
46	P	Phosphorus atom	4S	Kh
47	NH	Imidogen	3Σ-	C∞v
48	NH	Imidogen	1Σ+	C∞v
49	NH-	Imidogen anion	2Π	C∞v
50	NH+	imidogen cation	2Π	C∞v
51	PH	phosphorus monohydride	3Σ-	C∞v
52	PH	phosphorus monohydride	1Δ	C∞v
53	NH2-	amino anion	1A1	C2v
54	PH2	Phosphino radical	2B1	C2v
55	NH3	Ammonia	1A1	C3v
56	NH3+	ammonia cation	2A2"	D3h
57	PH3	Phosphine	1A1	C3v
58	NH4+	ammonium cation	1A1	Td
59	PH4+	phosphonium cation
60	O	Oxygen atom	3S	Kh
61	S	Sulfur atom	3P	Kh
62	OH	Hydroxyl radical	2Π	C∞v
63	OH-	hydroxide anion	1Σ	C∞v
64	OH+	hydoxyl cation	3Σ	C∞v
65	OH+	hydoxyl cation	1Σ	C∞v
66	DS	Mercapto-d	2Π	C∞v
67	HS	Mercapto radical	2Π	C∞v
68	HS-	mercapto anion	1Σ	C∞v
69	HS+	sulfur monohydride cation	3Σ	C∞v
70	H2O	Water	1A1	C2v
71	H2O-	water anion	2A1	C2v
72	H2O+	water cation	2B1	C2v
73	D2S	Hydrogen sulfide-d2	1A1	C2v
74	H2S	Hydrogen sulfide	1A1	C2v
75	H2S+	Hydrogen sulfide cation	2B1	C2v
76	H3O+	hydronium cation	1A1	C3v
77	H3S+	Sulfonium cation	1A1	C3v
78	F	Fluorine atom	2P	Kh
79	Cl	Chlorine atom	2P	Kh
80	HF	Hydrogen fluoride	1Σ	C∞v
81	HF-	hydrogen fluoride anion	2Σ	C∞v
82	HF+	hydrogen fluoride cation	2Π	C∞v
83	HCl	Hydrogen chloride	1Σ	C∞v
84	HCl-	hydrogen chloride anion	2Σ	C∞v
85	HCl+	hydrogen chloride cation	2Π	C∞v
86	H2F+	dihydrogen fluoride cation	1A1	C2v
87	H2Cl+	dihydrogen monochloride cation	1A1	C2v
88	Ne	Neon atom	1S	Kh
89	NeH+	neon hydrogen cation	1Σ	C∞v
90	Li2	Lithium diatomic	1Σg	D∞v
91	Li2-	lithium diatomic anion	2Σu	D∞h
92	Li2+	lithium diatomic cation	2Σg	D∞h
93	NaLi	lithium sodium	1Σ	C∞v
94	NaLi-	lithium sodium anion	2Σ	C∞v
95	NaLi+	lithium sodium cation	2Σ	C∞v
96	Na2-	sodium diatomic anion	2Σu	D∞h
97	Na2+	sodium diatomic cation	2Σg	D∞h
98	Be2-	Beryllium diatomic anion	2Πu	D∞h
99	Be2+	Beryllium diatomic cation	2Σu	D∞h
100	Mg2-	magnesium diatomic anion	2ΠU	D∞h
101	Mg2+	magnesium diatomic cation	2Σu	D∞h
102	B2	Boron diatomic	3Σg	D∞h
103	B2	Boron diatomic	1Σg	D∞h
104	B2	Boron diatomic	5Σu	D∞h
105	B2-	Boron diatomic anion	4Σg	D∞h
106	BAl	Boron Aluminum	3Σ	C∞v
107	B2H6	Diborane	1Ag	D2h
108	BC-	boron monocarbide anion	1Σg+	C∞v
109	BC+	boron monocarbide cation	3Σ	C∞v
110	BC+	boron monocarbide cation	1Σ	C∞v
111	AlC	Aluminum carbide	4Σ	C∞v
112	C2	Carbon diatomic	1Σg+	D∞h
113	C2	Carbon diatomic	3Πu	D∞h
114	C2-	carbon diatomic anion	2Σg	D∞h
115	C2+	carbon diatomic cation	2Π	D∞h
116	SiC	silicon monocarbide	3Σ	C∞v
117	SiC	silicon monocarbide	1Σ	C∞v
118	Si2	Silicon diatomic	3Σg	D∞h
119	C2H	Ethynyl radical	2Σ	C∞v
120	C2H2	Acetylene	1Σg	D∞h
121	C2H2+	acetylene cation	2Πu	D∞h
122	CCH2	vinylidene	1A1	C2v
123	C2H6	Ethane	1A1g	D3d
124	CH3SiH3	methyl silane	1A1	C3
125	Si2H6	disilane	1Eu	D3d
126	BeN-	Beryllium mononitride anion	1Σ	C∞v
127	BN-	boron nitride anion	2Σ	C∞v
128	BN	boron nitride	3Π	C∞v
129	BN	boron nitride	1Σ	C∞v
130	BN+	boron nitride cation	2Π	C∞v
131	AlN	Aluminum nitride	3Πi	C∞v
132	CN	Cyano radical	2Σ	C∞v
133	CN-	cyanide anion	1Σ	C∞v
134	CN+	Cyano cation	1Σ	C∞v
135	CP	Carbon monophosphide	2Σ	C∞v
136	SiN	Silicon nitride	2Σ	C∞v
137	SiP	Silicon monophosphide	2Π	C∞v
138	N2	Nitrogen diatomic	1Σg	D∞h
139	N2-	nitrogen diatomic anion	2Πg	D∞h
140	N2+	diatomic nitrogen cation	2Σg	D∞h
141	PN	Phosphorus mononitride	1Σ	C∞v
142	P2	Phosphorus diatomic	1Σg	D∞h
143	HNC	hydrogen isocyanide	1Σ	C∞v
144	HCN	Hydrogen cyanide	1Σ	C∞v
145	HCN+	hydrogen cyanide cation	2Π	C∞v
146	HCP	Phosphaethyne	1Σ	C∞v
147	NNH	Dinitrogen monohydride	2A'	Cs
148	HPO	Hydrogen phosphorus oxide	1A'	Cs
149	N2H2	(E)-diazene	1Ag	C2h
150	CH2PH	Phosphaethene	1A'	Cs
151	CH2NH2+	methyleneamine cation	1A1	C2v
152	P2H4	Diphosphine	1A	C2
153	CH3NH2	methyl amine	1A'	Cs
154	BH3PH3	borane phosphine
155	LiO-	lithium oxide anion	1Σ	C∞v
156	LiO+	lithium oxide cation	3Σ	C∞v
157	LiO+	lithium oxide cation	1Σ	C∞v
158	LiS	Lithium monosulfide	2Π	C∞v
159	NaO-	sodium oxide anion	1Σ	C∞v
160	NaO+	sodium oxide cation	3Σ	C∞v
161	BeO-	Beryllium monoxide anion	2Σ	C∞v
162	BeO+	Beryllium monoxide cation	2Π	C∞v
163	BeS	beryllium sulfide	1Σ	C∞v
164	MgO	magnesium oxide	1Σ+	C∞v
165	MgO-	magnesium oxide anion	2Σ	C∞v
166	MgO+	magnesium oxide cation	2Π	C∞v
167	MgS	magnesium sulfide	1Σ	C∞v
168	CaS	Calcium sulfide	1Σ	C∞v
169	BO-	boron monoxide anion	1Σ	C∞v
170	AlO	Aluminum monoxide	2Σ	C∞v
171	BS	boron sulfide	2Σ	C∞v
172	AlS	Aluminum sulfide	2Σ	C∞v
173	BO+	boron monoxide cation	1Σ	C∞v
174	CO	Carbon monoxide	1Σ	C∞v
175	CO-	carbon monoxide anion	2Π	C∞v
176	CO+	carbon monoxide cation	2Σ	C∞v
177	CS	carbon monosulfide	1Σ	C∞v
178	SiO	Silicon monoxide	1Σ	C∞v
179	SiS	silicon monosulfide	1Σ	C∞v
180	GeO	Germanium monoxide	1Σ	C∞v
181	SiSe	Silicon Monoselenide
182	NO-	nitric oxide anion	3Σ	C∞v
183	NO-	nitric oxide anion	1Δ	C∞v
184	NO+	nitric oxide cation	1Σ	C∞v
185	NS	Mononitrogen monosulfide	2Π	C∞v
186	PO	Phosphorus monoxide	2Π	C∞v
187	PS	phosphorus sulfide	2Σ	C∞v
188	O2	Oxygen diatomic	3Σg	D∞h
189	O2-	oxygen diatomic anion	2Π	D∞h
190	O2+	diatomic oxygen cation	2Πg	D∞h
191	SO	Sulfur monoxide	3Σ	C∞v
192	SO	Sulfur monoxide	1Σ	C∞v
193	SO+	sulfur monoxide cation	2Π	C∞v
194	S2	Sulfur diatomic	3Σg	D∞h
195	S2+	sulfur diatomic cation	2Π	D∞h
196	Se2	Selenium diatomic	3Σg	D∞h
197	HBS	hydrogen boron sulfide	1Σ	C∞v
198	HCS	Thioformyl radical	2A'	Cs
199	HNO	Nitrosyl hydride	1A'	Cs
200	HSO+	Sulfur Monoxide, S-protonated
201	SOH	Sulfur Hydroxide
202	SOH+	Sulfur Monoxide, protonated
203	H2CO+	formaldehyde cation	2B2	C2v
204	H2CS	Thioformaldehyde	1A1	C2v
205	H2CSe	Selenoformaldehyde
206	H2S2	Disulfane	1A	C2
207	H2S2+	hydrogen disulfide cation	2Bg	C2h
208	CH2OH+	hydroxymethyl cation	1A'	Cs
209	CH3S	thiomethoxy	2A'	C3v
210	H2CSH+	Thioformaldehyde, protonated	1A'	Cs
211	NH2OH	hydroxylamine	1A'	Cs
212	H2POH	Phosphinous acid	1A1'	CS trans
213	H2POH	Phosphinous acid	1A1'	CS cis
214	H3PO	Phosphine oxide	1A1	C3v
215	CH3SH	Methanethiol	1A'	Cs
216	CH3SH2+	protonated methylsulfide	1A'	Cs
217	LiCl	lithium chloride	1Σ	C∞v
218	LiCl-	lithium chloride anion	2Σ	C∞v
219	LiCl+	lithium chloride cation	2Π	C∞v
220	NaF-	sodium fluoride anion	2Σ	C∞v
221	NaF+	sodium fluoride cation	2Σ	C∞v
222	NaCl	Sodium Chloride	1Σ	C∞v
223	NaCl-	sodium chloride anion	2Σ	C∞v
224	NaCl+	sodium chloride cation	2Π	C∞v
225	LiF-	lithium fluoride anion	2Σ	C∞v
226	LiF+	lithium fluoride cation	2Π	C∞v
227	BeF-	Beryllium monofluoride anion	1Σ	C∞v
228	BeF+	Beryllium monofluoride cation	1Σ	C∞v
229	BeCl	beryllium monochloride	2Σ	C∞v
230	MgF-	magnesium fluoride anion	1Σ	C∞v
231	MgF+	magnesium fluoride cation	1Σ	C∞v
232	MgCl	magnesium monochloride	2Σ	C∞v
233	MgCl-	magnesium monochloride anion	1Σ	C∞v
234	MgCl+	magnesium monochloride cation	1Σ	C∞v
235	BeCl-	beryllium monochloride anion	1Σ	C∞v
236	BeCl+	beryllium monochloride cation	1Σ	C∞v
237	BF	Boron monofluoride	1Σ	C∞v
238	BF-	Boron monofluoride anion	2Π	C∞v
239	BF+	Boron monofluoride cation	2Σ	C∞v
240	AlF	Aluminum monofluoride	1Σ+	C∞v
241	BCl	boron monochloride	1Σ	C∞v
242	BCl-	boron monochloride anion	2Π	C∞v
243	BCl+	boron monochloride cation	2Σ	C∞v
244	AlCl	Aluminum monochloride	1Σ	C∞v
245	AlCl-	aluminum monochloride anion	2Π	C∞v
246	AlCl+	aluminum monochloride cation	2Σ	C∞v
247	CF-	carbon monofluoride anion	3Σ	C∞v
248	CF-	carbon monofluoride anion	1Σ	C∞v
249	CF+	carbon monofluoride cation	1Σ	C∞v
250	CCl	carbon monochloride	2Π	C∞v
251	CCl-	carbon monochloride anion	3Σ	C∞v
252	CCl+	carbon monochloride cation	1Σ	C∞v
253	SiF	silicon monofluoride	2Π	C∞v
254	SiF+	silicon monofluoride cation	1Σ	C∞v
255	SiCl	Clorosilylidyne	2Π	C∞v
256	SiCl-	silicon monochloride anion	3Σ	C∞v
257	SiCl+	silicon monochloride cation	1Σ	C∞v
258	NF	nitrogen fluoride	1Σ	C∞v
259	NF-	nitrogen monofluorine anion	2Π	C∞v
260	NF+	nitrogen monofluoirde cation	2Π	C∞v
261	NCl	nitrogen monochloride	3Σ	C∞v
262	NCl-	nitrogen monochloride anion	2Π	C∞v
263	NCl+	nitrogen monochloride cation	2Π	C∞v
264	PF	phosphorus monofluoride	3Σ	C∞v
265	PCl	phosphorus chloride	3Σ	C∞v
266	PCl-	phosphorus monochloride anion	2Π	C∞v
267	PCl+	phosphorus monochloride cation	2Π	C∞v
268	FO-	flourine oxide anion	1Σ	C∞v
269	FO+	fluorine monoxide cation	3Σ	C∞v
270	ClO	Monochlorine monoxide	2Π	C∞v
271	ClO+	chlorine monoxide cation	3Σ	C∞v
272	SF	Monosulfur monofluoride	2Π	C∞v
273	SF+	sulfur monofluoride cation	3Σ	C∞v
274	SCl	sulfur monochloride	2Π	C∞v
275	SCl-	sulfur monochloride anion	1Σ	C∞v
276	SCl+	sulfur monochloride cation	3Σg	C∞v
277	SBr	Sulfur monobromide radical
278	F2	Fluorine diatomic	1Σg	D∞h
279	F2-	flourine diatomic anion	2Σu	D∞h
280	F2+	flourine diatomic cation	2Πg	D∞h
281	ClF	Chlorine monofluoride	1Σ+	C∞v
282	ClF-	clorine monofluoride anion	2Σ	C∞v
283	ClF+	clorine monofluoride cation	2Π	C∞v
284	Cl2	Chlorine diatomic	1Σg	D∞h
285	Cl2-	chlorine diatomic anion	2Σu	D∞h
286	Cl2+	chlorine diatomic cation	2Πg	D∞h
287	HOCl	hypochlorous acid	1A'	Cs
288	CH2Cl	chloromethyl radical	2A'	Cs
289	CH3Cl	Methyl chloride	1A1	C3v
290	SiH3F	monofluorosilane	1A1	C3v
291	SiH3Cl	chlorosilane	1A1	C1
292	C3	carbon trimer	1Σg	D∞h
293	CH2CHCH3	Propene	1A'	Cs
294	C3H7	n-Propyl radical	2A"	C1
295	SiH2(CH3)2	dimethylsilane	1A1	C2v
296	Si3H8	trisilane
297	HN3	hydrogen azide	1A'	Cs
298	CH2NN	diazomethane	1A1	C2v
299	CH3NC	methyl isocyanide	1A1	C3v
300	NHCHNH2	aminomethanimine	1A	C1
301	CH3CH2NH2	Ethylamine	1A'	Cs
302	Li2O	dilithium oxide	1Σg	D∞h
303	Li2S	dilithium sulfide	1ΣG	D∞h
304	Li2S	dilithium sulfide	1A1	C2v
305	SCN	thiocyanato radical	2Π	C∞v
306	SCN-	thiocyanide anion	1Σ	C∞v
307	NNS	Nitrogen sulfide	1Σ	C∞v
308	CO2	Carbon dioxide	1Σg	D∞h
309	OCS	Carbonyl sulfide	1Σ	C∞v
310	SiO2	silicon dioxide	1Σg	D∞h
311	CS2	Carbon disulfide	1Σg	D∞h
312	SiS2	Silicon disulfide	1ΣG	D∞h
313	NSO	sulfinyl amidogen
314	PO2	Phosphorus dioxide	2A1	C2v
315	SNO	Nitrogen oxide sulfide
316	SO2	Sulfur dioxide	1A1	C2v
317	SSO	Disulfur monoxide	1A'	Cs
318	S3	Sulfur trimer	1A1	C2v
319	S3	Sulfur trimer
320	S3-	Sulfur trimer anion	2B1	C2v
321	S3+	Sulfur trimer cation	2B2	C2v
322	HCCO	ketenyl radical	2A"	Cs
323	HCNO	fulminic acid	1Σ	C∞v
324	HNCO	Isocyanic acid	1A'	Cs
325	HOCN	cyanic acid	1A'	Cs
326	HCO2-	formate anion	1A1	C2v
327	HOCO	Hydrocarboxyl radical	1A'	cis
328	HOCO	Hydrocarboxyl radical	1A'	trans
329	HCCOH	ethynol	1A'	Cs
330	CH2CS	Thioketene
331	CH2O2	Dioxirane	1A1	C2v
332	HSSSH	trisulfane	1A	C2
333	HSSSH	trisulfane	1A'	Cs
334	CH3CO	Acetyl radical	2A'	Cs
335	CH3OO	methylperoxy radical	2A"	Cs
336	CH2CHOH	ethenol	1A'	Cs
337	C2H4S	Thiirane	1A1	C2v
338	CH3CHS	Thioacetaldehyde	1A'	C1
339	CH3OOH	Methyl peroxide	1A	C1
340	CH3SSH	Hydrogen methyl disulfide
341	CH3CH2SH	ethanethiol	1A'	Cs
342	CH3SCH3	Dimethyl sulfide	1A1	C2v
343	FCN	Cyanogen fluoride	1Σ	C∞v
344	ClCN	chlorocyanogen	1Σ	C∞v
345	MgCl2	Magnesium dichloride	1Σg	C2v
346	ClNO	Nitrosyl chloride	1A'	Cs
347	FNS	Thionitrosyl fluoride	1A'	Cs
348	FSN	Thiazyl fluoride	1A'	Cs
349	OPCl	Phosphorus oxychloride
350	CCl2	dichloromethylene	1A1	C2v
351	SiCl2	Dichlorosilylene	1A1	C2v
352	GeCl2	Germanium dichloride	1A1	C2v
353	ClOO	chloroperoxy radical	2A"	Cs
354	OClO	Chlorine dioxide	2B1	D∞h
355	ClSO	Sulfur chloride oxide	2A"	Cs
356	ClS2	Sulfur chloride	2A"	Cs
357	FClO	chlorosyl fluoride	1A'	Cs
358	ClOF	Chlorine hypofluorite	1A'	Cs
359	SF2	sulfur difluoride	1A1	C2v
360	Cl2O	Dichlorine monoxide	1A1	C2v
361	SCl2	Sulfur dichloride	1A1	C2v
362	SeCl2	Selenium Dichloride
363	SBr2	Sulfur dibromide
364	SeBr2	Selenium dibromide
365	HCCF	Fluoroacetylene	1Σ	C∞v
366	HFCO	formyl fluoride	1A'	Cs
367	BHCl2	Borane, dichloro-	1A1	C2v
368	CH2F2	Methane, difluoro-	1A1	C2v
369	CH2FCl	fluorochloromethane	1A'	Cs
370	CH2Cl2	Methylene chloride	1A1	C2v
371	SiH2Cl2	dichlorosilane	1A1	C2v
372	C2H3Cl	Ethene, chloro-	1A'	Cs
373	C2H5F	fluoroethane	1A'	Cs
374	C4	Carbon tetramer	3Σg	D∞h
375	C4H2	Diacetylene	1Σg	D∞h
376	C2H3CCH	1-Buten-3-yne	1A'	C1
377	H2CCCCH2	Butatriene	1Ag	D2h
378	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
379	CH3CHCHCH3	2-Butene, (Z)-	1A1	C2v
380	SiH(CH3)3	trimethylsilane	1A1	C3v
381	P4	Phosphorus tetramer	1A1	Td
382	HCCCN	Cyanoacetylene	1Σ	C∞v
383	C2H8N2	Ethylenediamine	1Ag	C2h
384	S2N2	Disulfur dinitride	1AG	D2h
385	CO3--	carbonate	1A1'	D3h
386	CS3--	Carbonotrithioate
387	NO3	Nitrogen trioxide	2A1'	all bonds equal
388	SO3	Sulfur trioxide	1A1'	D3h
389	S4	Sulfur tetramer
390	S4	Sulfur tetramer
391	S4	Sulfur tetramer
392	CH3COO-	acetate anion	1A'	eclipsed
393	CH3ONO	Methyl nitrite	1A'	C1
394	H3AlO3	Aluminum hydroxide
395	C3H4O	allenol	1A'	Cs
396	CH2CHCHO	Acrolein	1A'	Cs
397	NH2CSNH2	Thiourea	1A	C2
398	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
399	CH3CSNH2	Ethanethioamide
400	CH3CH2CHO	Propanal	1A'	Cs
401	C3H6S	Thietane	1A'	Cs
402	CH3SSCH3	Disulfide, dimethyl	1A	C2
403	C3H7OH	1-Propanol	1A'	Cs
404	C2F2	difluoroacetylene	1Σg	D∞h
405	C2Cl2	dichloroacetylene	1Σg	C2h
406	ClNO2	Nitryl chloride	1A1	C2v
407	CCl2O	Phosgene	1A1	C2v
408	Cl2CS	Thiophosgene	1A1	C2v
409	AlF3	Aluminum trifluoride	1A1'	D3h
410	AlF2Cl	Aluminum chloride difluoride	1A1	C2v
411	AlFCl2	Aluminum dichloride fluoride	1A1	C2v
412	BCl3	Borane, trichloro-	1A1'	D3h
413	AlCl3	Aluminum trichloride	1A1'	D3h
414	ClO3-	chlorate anion	1A1	C3v
415	SiF3	Silicon trifluoride radical	2A1	C3v
416	SiCl3	trichlorosilyl radical	2A1	C3v
417	SiCl3+	trichlorosilyl cation	1A1'	D3h
418	ClO2F	Chloryl fluoride	1A'	Cs
419	F2SO	Thionyl Fluoride	1A'	Cs
420	FSSF	Difluorodisulfane	1A	C2
421	S2F2	Thio-thionyl fluoride	1A'	Cs
422	SOCl2	thionyl chloride	1A'	Cs
423	SSCl2	Thiothionyl chloride
424	PF3	Phosphorus trifluoride	1A1	C3v
425	NCl3	nitrogen trichloride	1A1	C3v
426	PCl3	Phosphorus trichloride	1A1	C3v
427	ClSSCl	Disulfur dichloride	1A	C2
428	SF3	Sulfur trifluoride	2A'	Cs
429	ClF3	Chlorine trifluoride	1A1'	D3h
430	ClF3	Chlorine trifluoride	1A1	C2v
431	HClO3	Chloric Acid	1A	C1
432	CHF2Cl	difluorochloromethane	1A'	Cs
433	CHFCl2	fluorodichloromethane	1A'	Cs
434	CHCl3	Chloroform	1A1	C3v
435	SiHCl3	Trichlorosilane	1A1	C3v
436	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	1A1	C2v
437	CH2CCl2	Ethene, 1,1-dichloro-	1A1	C2v
438	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1Ag	C2h
439	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1A1	C2v
440	CH3COCl	Acetyl Chloride	1A'	Cs
441	C5H5-	cylopentadienyl anion	1A1'	D5h
442	C5H8	1,3-Pentadiene, (Z)-	1A'	Cs
443	C5H8	1,4-Pentadiene	1A	C2
444	C5H8	Cyclobutane, methylene-	1A'	Cs
445	C5H8	Cyclopentene	1A'	Cs
446	CH2CHCH2CH2CH3	1-pentene	1A	C1
447	Si(CH3)4	tetramethylsilane	1A1	Td
448	N2O3	Dinitrogen trioxide	1A'	Cs
449	C3H2N2	Malononitrile	1A1	Cs
450	C4H9N	Pyrrolidine	1A'	Cs
451	PO4---	phosphate	1A1	Td
452	SO4--	sulfate	1A1	Td
453	H2SO4	Sulfuric acid	1A	C1
454	C4H4S	Thiophene	1A1	C2v
455	C3H4O2	propanedial	1A	C1
456	C3H4O2	propenalol	1A'	Cs
457	CH3OCH2CN	Methoxyacetonitrile	1A	C1
458	H2NCH2COOH	Glycine	1A'	Cs
459	C4H6O	cis-2-butenal	1A	Cs
460	C4H6O	Furan, 2,5-dihydro-	1A1	Cs
461	C3H6O2	1,3-Dioxolane	1A	C1
462	CH3COOCH3	methyl acetate	1A'	Cs
463	C2H6O2S	Dimethyl sulfone	1A1	C2v
464	C4H8O	Cyclobutanol	1A'	C1
465	CH3COCH2CH3	2-Butanone	1A	C1
466	C3H8O2	1,3-Propanediol	1A1	C1
467	C4H10O	1-Propanol, 2-methyl-	1A	C1
468	ClO4-	perchlorate anion	1A1	Td
469	BF4-	tetrafluoroboron anion	1A1	Td
470	ClFO3	Perchloryl fluoride	1A1	Cs
471	SO2Cl2	Sulfuryl chloride	1A1	C2v
472	F3PO	Phosphoryl fluoride	1A1	C3v
473	Cl3PO	Phosphoryl chloride	1A1	C3v
474	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
475	SiF4	Silicon tetrafluoride	1A1	Td
476	CF2Cl2	difluorodichloromethane	1A1	C2v
477	CFCl3	Trichloromonofluoromethane	1A1	C3v
478	CCl4	Carbon tetrachloride	1A1	Td
479	SiCl4	Silane, tetrachloro-	1A1	Td
480	SF4	Sulfur tetrafluoride	1A1	C2v
481	C2HF3	Trifluoroethylene	1A'	Cs
482	CHClCCl2	Trichloroethylene	1A'	Cs
483	HClO4	perchloric acid	1A	Cs
484	CH2ClCHCl2	1,1,2-trichloroethane	1A	C1
485	CH3CCl3	Ethane, 1,1,1-trichloro-	1A1	C3v
486	SiH3CCl3	(trichloromethyl)silane	1A1	C3v
487	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	1Ag	D2h
488	C6H10	cyclohexene	1A	C2
489	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
490	C4H4N2	Pyrazine	1Ag	D2h
491	C2H4N4	1H-Tetrazole, 1-methyl-	1A'	Cs
492	C6H6	Fulvene	1A1	C2v
493	C2H3NO3	Oxamic acid	1A'	H out
494	C4H7NO	2-Pyrrolidinone	1A	C1
495	CH3CH(NH2)COOH	Alanine	1A	C1
496	CH3NHCH2COOH	Sarcosine	1A	C1
497	NH2CH2CH2COOH	β–alanine	1A	C1
498	C5H10O	3-Pentanone	1A1	C2v
499	C5H12O	3-Pentanol	1A	C1
500	B2Cl4	Diboron tetrachloride	1A1	D2
501	C2Cl4	Tetrachloroethylene	1Ag	D2h
502	CF3OF	Trifluoromethylhypofluorite	1A'	Cs
503	SiF5-	silicon pentafluoride anion
504	PF5	Phosphorus pentafluoride	1A1'	D3h
505	ClF5	chlorinepentafluoride	1A1	C4v
506	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
507	C6H5CH2	benzyl radical	2B1	Cs
508	C7H16	heptane	1A1	C2v
509	C6H10O	cyclohexanone	1A'	Cs
510	PF6-	Hexafluorophosphate ion	1A1G	Oh
511	SF6	Sulfur Hexafluoride	1A1G	Oh
512	SF5Cl	sulfur chloropentafluoride	1A1	C4v
513	C6H5F	Fluorobenzene	1A1	C2v
514	C6H5CCH	phenylacetylene	1A1	C2v
515	C6H5CHCH2	Styrene	1A'	Cs
516	C8H8	cubane	1A1G	Oh
517	C6H5CH2CH3	Ethylbenzene	1A'	Cs
518	S8	Octasulfur	1A1	D4d
519	C6H5OCH3	Anisole	1A'	Cs
520	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	1AG	D2h
521	C2F6	hexafluoroethane	1A1g	D3d
522	C6H5COOH	benzoic acid	1A'	Cs
523	C12H10	biphenyl	1A	D2

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 anion	h-
5	D2	Deuterium diatomic	d2
6	H2	Hydrogen diatomic	h2
7	HD	Deuterium hydride	hd
8	He-	Helium atom anion	he-
9	He+	Helium atom cation	he+
10	HeH	Helium hydride	heh
11	HeH+	Helium hydride cation	heh+
12	Li-	Lithium atom anion	li-
13	Li+	Lithium atom cation	li+
14	Na	Sodium atom	na
15	Na-	Sodium atom anion	na-
16	K	Potassium atom	k
17	K-	Potassium atom anion	k-
18	K+	Potassium atom cation	k+
19	Cu	Copper atom	cu
20	Cu-	Copper atom anion	cu-
21	Cu+	Copper atom cation	cu+
22	NaH	sodium hydride	nah
23	KH	Potassium hydride	kh
24	KH+	Potassium hydrogen cation	kh+
25	CuH	Copper monohydride	cuh
26	Be	Beryllium atom	be
27	Be-	Beryllium atom anion	be-
28	Be+	Beryllium atom cation	be+
29	Mg	Magnesium atom	mg
30	Mg-	Magnesium atom anion	mg-
31	Mg+	Magnesium atom cation	mg+
32	Ca	Calcium atom	ca
33	Ca-	Calcium atom anion	ca-
34	Ca+	Calcium atom cation	ca+
35	Zn	Zinc atom	zn
36	Zn-	Zinc atom anion	zn-
37	Zn+	Zinc atom cation	zn+
38	MgH	magnesium monohydride	mgh
39	CaH	Calcium monohydride	cah
40	CaH+	Calcium monohydride cation	cah+
41	TiH	Titanium monohydride	tih
42	ZnH	Zinc monohydride	znh
43	ZnH+	Zinc, protonated	znh+
44	BeH2	beryllium dihydride	beh2
45	BeH2+	Beryllium dihydride cation	beh2+
46	MgH2	magnesium dihydride	mgh2
47	CaH2	Calcium Hydride	cah2
48	ZnH2	Zinc hydride	znh2
49	B-	Boron atom anion	b-
50	B+	Boron atom cation	b+
51	Al-	Aluminum atom anion	al-
52	Al+	Aluminum atom cation	al+
53	Sc	Scandium atom	sc
54	Sc+	Scandium cation	sc+
55	Ga	Gallium atom	ga
56	Ga-	Gallium atom anion	ga-
57	Ga+	Gallium atom cation	ga+
58	BH	Boron monohydride	bh
59	AlH-	aluminum monohydride anion	alh-
60	AlH+	aluminum monohydride cation	alh+
61	ScH	Scandium monohydride	sch
62	ScH+	Scandium monohydride cation	sch+
63	GaH	Gallium monohydride	gah
64	GaH+	Gallium monohydride cation	gah+
65	BH2	boron dihydride	bh2
66	BH2-	boron dihydride anion	bh2-
67	BH2+	Boron dihydride cation	bh2+
68	AlH2-	aluminum dihydride anion	alh2-
69	AlH2+	aluminum dihydride cation	alh2+
70	BH3	boron trihydride	bh3
71	BH3-	boron trihydride anion	bh3-
72	BH3+	boron trihydride cation	bh3+
73	AlH3-	aluminum trihydride anion	alh3-
74	AlH3+	aluminum trihydride cation	alh3+
75	ScH3	Scandium trihydride	sch3
76	GaH3	Gallium trihydride	gah3
77	BH4	borohydride	bh4
78	C-	Carbon atom anion	c-
79	C+	Carbon atom cation	c+
80	Si-	Silicon atom anion	si-
81	Si+	Silicon atom cation	si+
82	Ti	Titanium atom	ti
83	Ti-	Titanium atom anion	ti-
84	Ti+	Titanium atom cation	ti+
85	Ge	Germanium atom	ge
86	Ge-	Germanium anion	ge-
87	Ge+	Germanium cation	ge+
88	Sn	Tin atom	sn
89	Sn+	Tin cation	sn+
90	SiH-	silicon monohydride anion	sih-
91	SiH+	silicon monohydride cation	sih+
92	GeH	germylidene	geh
93	GeH+	Germaniun monohyrdide cation	geh+
94	CH2	Methylene	ch2
95	SiH2-	silicon dihydride anion	sih2-
96	SiH2+	silicon dihydride cation	sih2+
97	GeH2	germylene	geh2
98	GeH2-	germylene anion	geh2-
99	CH3	Methyl radical	ch3
100	SiH3-	Silyl anion	sih3-
101	GeH3	Germyl radical	geh3
102	GeH3+	germyl cation	geh3+
103	CD4	methane-d4	cd4
104	CH2D2	methane-d2	ch2d2
105	CH3D	methane-d	ch3d
106	CH4-	Methane anion	ch4-
107	CH4+	Methane cation	ch4+
108	CHD3	methane-d3	chd3
109	SiH2D2	silane-d2	sih2d2
110	SiH4+	Silane cation	sih4+
111	GeH4	Germane	geh4
112	SnH4	Stannane	snh4
113	SiH5+	Silane, protonated	sih5+
114	N	Nitrogen atom	n
115	N-	Nitrogen atom anion	n-
116	N+	Nitrogen atom cation	n+
117	P-	Phosphorus atom anion	p-
118	P+	Phosphorus atom cation	p+
119	V	Vanadium atom	v
120	V+	Vanadium atom cation	v+
121	As	Arsenic atomic	as
122	As-	Arsenic anion	as-
123	As+	Arsenic cation	as+
124	Sb	Antimony atom	sb
125	PH-	phosphorus monohydride anion	ph-
126	PH+	phosphorus monohydride cation	ph+
127	AsH	Arsenic monohydride	ash
128	AsH+	Arsenic monohydride cation	ash+
129	SbH	Antimony monohydride	sbh
130	ND2	Amidogen-d2	nd2
131	NH2	Amino radical	nh2
132	NH2+	Amino cation	nh2+
133	PH2-	Phosphino anion	ph2-
134	PH2+	Phosphino cation	ph2+
135	AsH2	Arsenic dihydride	ash2
136	AsH2+	Arsenic dihydride cation	ash2+
137	ND3	Ammonia-d3	nd3
138	NH3-	Ammonia anion	nh3-
139	PH3+	Phosphine cation	ph3+
140	AsH3	Arsine	ash3
141	AsH3+	Arsine cation	ash3+
142	SbH3	Stibine	sbh3
143	AsH4+	Arsonium	ash4+
144	NH4	Ammonium radical	nh4
145	PH4	Phosphoranyl radical	ph4
146	O-	Oxygen atom anion	o-
147	O+	Oxygen atom cation	o+
148	S-	Sulfur atom anion	s-
149	S+	Sulfur atom cation	s+
150	Cr	Chromium atom	cr
151	Se	Selenium atom	se
152	Se-	Selenium atom anion	se-
153	Se+	Selenium atom cation	se+
154	Te	Tellurium atom	te
155	Te+	Tellurium atom cation	te+
156	DO	Hydroxyl-d	od
157	CrH	Chromium hydride	crh
158	CrH+	Chromium hydride cation	crh+
159	HSe	Selenium monohydride	hse
160	HSe-	selenium monohydride anion	hse-
161	HSe+	selenium monohydride cation	hse+
162	TeH	Telluryl radical	teh
163	D2O	Deuterium oxide	d2o
164	HDO	Water-d1	hdo
165	H2S-	Hydrogen sulfide anion	h2s-
166	H2Se	Hydrogen selenide	h2se
167	H2Se+	Hydrogen selenide cation	h2se+
168	H2Te	Hydrogen Telluride	h2te
169	H3Se+	Hydrogen Selenide, protonated	h3se+
170	F-	Fluorine atom anion	f-
171	F+	Fluorine atom cation	f+
172	Cl-	Chlorine atom anion	cl-
173	Cl+	Chlorine atom cation	cl+
174	Mn	Manganese atom	mn
175	Br	Bromine atom	br
176	Br-	Bromine atom anion	br-
177	Br+	Bromine atom cation	br+
178	I	Iodine atom	iodine
179	I-	Iodine atom anion	iodine-
180	I+	Iodine atom cation	iodine+
181	DF	Hydrofluoric acid-d	df
182	DCl	Hydrochloric acid-d	dcl
183	HBr	hydrogen bromide	hbr
184	HBr-	hydrogen bromide anion	hbr-
185	HBr+	hydrogen bromide cation	hbr+
186	HI	Hydrogen iodide	hi
187	HI+	Hydrogen iodide cation	hi+
188	H2Br+	protonated hydrogen bromide	h2br+
189	H2I+	Iodonium	h2i+
190	Ne-	Neon atom anion	ne-
191	Ne+	Neon atom cation	ne+
192	Ar	Argon atom	ar
193	Ar-	Argon atom anion	ar-
194	Ar+	Argon atom cation	ar+
195	Fe	Iron atom	fe
196	Kr	Krypton atom	kr
197	Kr+	Krypton cation	kr+
198	Xe	Xenon atom	xe
199	HeLi+	Helium Lithium cation	heli+
200	NeH	neon hydrogen	neh
201	ArH+	Argon hydride cation	arh+
202	KrH+	Protonated Krypton	krh+
203	XeH+	Xenon, protonated	xeh+
204	H2Ar	H2 Ar dimer	h2ar
205	Co	Cobalt atom	cobalt
206	Ni	Nickel atom	ni
207	LiK	Lithium Potassium	lik
208	Na2	Sodium diatomic	na2
209	NaK	Sodium Potassium	nak
210	NaK+	Sodium Potassium diatomic cation	nak+
211	K2	Potassium diatomic	k2
212	Cu2	Copper diatomic	cu2
213	LiBe	Lithium Beryllium	libe
214	LiMg	Lithium magnesium	limg
215	NaBe	Sodium Beryllium	nabe
216	NaMg	Sodium Magnesium	namg
217	Be2	Beryllium diatomic	be2
218	BeMg	Beryllium Magnesium	bemg
219	Mg2	Magnesium diatomic	mg2
220	Ca2	Calcium diatomic	ca2
221	LiB	Lithium boride	lib
222	LiAl	Lithium Aluminum	lial
223	NaAl	Sodium aluminum	naal
224	BeB	Beryllium monoboride	beb
225	B2+	Boron diatomic cation	b2+
226	Al2	Aluminum diatomic	al2
227	Al2-	aluminum diatomic anion	al2-
228	Al2+	aluminum diatomic cation	al2+
229	BGa	Boron Gallium	bga
230	AlGa	Aluminum Gallium	alga
231	Ga2	Gallium diatomic	ga2
232	HBBH	Diborane(2)	hbbh
233	LiBH4	Lithium borohydride	libh4
234	B2H4	Diborane(4) D2d	b2h4
235	HBHHBH	Diborane(4) C2V	hbhhbh
236	B2H6+	Diborane cation	b2h6
237	Al2H6	dialane	al2h6
238	Ga2H6	digallane	ga2h6
239	LiC	Lithium Carbide	lic
240	BeC	Beryllium Carbide	bec
241	CaC	Calcium monocarbide	cac
242	BC	boron monocarbide	bc
243	BC-	boron monocarbide anion	bc-
244	BSi	Boron silicide	bsi
245	C2+	carbon diatomic cation	c2+
246	SiC-	silicon monocarbide anion	sic-
247	SiC+	silicon monocarbide cation	sic+
248	Si2-	silcon diatomic anion	si2-
249	Si2+	silcon diatomic cation	si2+
250	GeC	Germanium monocarbide	gec
251	SiGe	Silicon Germanium	sige
252	Ge2	Germanium diatomic	ge2
253	C2H-	Ethynyl anion	c2h-
254	C2H+	Ethynyl cation	c2h+
255	ZnCH2	Zinc methylene	znch2
256	H2CC-	vinylidene anion	h2cc-
257	HCCH-	acetylene anion	c2h2-
258	Si2H2	disilyne	si2h2
259	CH3Li	methyl lithium	ch3li
260	CuCH3	monomethyl copper	cuch3
261	ZnCH3	Zinc monomethyl	znch3
262	CH2BH	methyleneborane	ch2bh
263	C2H3	vinyl	c2h3
264	C2H3-	vinyl anion	c2h3-
265	C2H3+	vinyl cation	c2h3+
266	C2H4	Ethylene	c2h4
267	C2H4-	Ethylene anion	c2h4-
268	C2H4+	Ethylene cation	c2h4+
269	CH3CH	methylmethylene	ch3ch
270	CH2SiH2	silaethylene	ch2sih2
271	Si2H4	Disilene	si2h4
272	CH3BH2	methylborane	ch3bh2
273	C2H5	Ethyl radical	c2h5
274	C2H5-	Ethyl anion	c2h5-
275	C2H5+	Ethyl cation	c2h5+
276	C2H6+	ethane cation	c2h6+
277	GeH3CH3	methyl germane	geh3ch3
278	C2H7+	Ethane, protonated	c2h7+
279	LiN	Lithium Nitride	lin
280	LiN+	Lithium Nitride cation	lin+
281	LiP	Lithium monophosphide	lip
282	BeN	Beryllium mononitride	ben
283	BeN+	Beryllium mononitride cation	ben+
284	MgN	Magnesium Nitride	mgn
285	AlN-	aluminum mononitride anion	aln-
286	AlN+	aluminum mononitride cation	aln+
287	BP	Boron monophosphide	bp
288	AlP	Aluminum monophosphide	alp
289	GaN	Gallium mononitride	gan
290	GaP	Gallium monophosphide	gap
291	GaAs	Gallium arsenide	gaas
292	CP-	carbon monophosphide anion	cp-
293	CP+	carbon monophosphide cation	cp+
294	SiN-	silicon mononitride anion	sin-
295	SiN+	silicon mononitride cation	sin+
296	SiP-	Silicon monophosphide anion	sip-
297	SiP+	Silicon monophosphide cation	sip+
298	TiN	Titanium mononitride	tin
299	PN-	phosphorus nitride anion	pn-
300	PN+	phosphorus nitride cation	pn+
301	P2-	phosphorus diatomic anion	p2-
302	P2+	phosphorus diatomic cation	p2+
303	AsN	Arsenic mononitride	asn
304	AsP	Arsenic monophosphide	asp
305	SbN	Antimony nitride	sbn
306	As2	Arsenic diatomic	as2
307	HNB	hydrogen nitrogen boron	hnb
308	HCN-	Hydrogen cyanide anion	hcn-
309	HNC+	hydrogen isocyanide cation	hnc+
310	HCP+	Phosphaethyne cation	hcp+
311	NNH+	Dinitrogen monohydride cation	nnh+
312	HPO+	Hydrogen phosphorus oxide cation	hpo+
313	LiNH2	lithium amide	linh2
314	HBNH	Boranimine	hbnh
315	CNH2	Aminomethylidyne radical	cnh2
316	CNH2+	N-protonated hydrogen isocyanide	cnh2+
317	H2CN	Dihydrogen cyanide radical	h2cn
318	H2CN+	hydrocyanonium cation	h2cn+
319	HCNH	methyleneazane	hcnh
320	HCNH+	N-protonated HCN	hcnh+
321	H2NN	Isodiazene	h2nn
322	N2H2	(Z)-Diazene	n2h2z
323	N2H2+	trans-diazene cation	n2h2+
324	CH2NH	Methanimine	ch3n
325	CH2NH+	Methanimine cation	ch2nh+
326	CHNH2	aminomethylene	chnh2
327	CHNH2+	Aminocarbene cation	chnh2+
328	BH2NH2	Boranamine	bh2nh2
329	N2H4	Hydrazine	n2h4
330	N2H4+	hydrazine cation	n2h4+
331	CH3NH2+	methyl amine cation	ch3nh2+
332	CH3PH2	Methyl phosphine	ch3ph2
333	SiH3NH2	Silane, amino	sih3nh2
334	N2H5+	protonated hydrazine	n2h5+
335	BH3NH3	borane ammonia	bh3nh3
336	CH3NH3	methyl ammonium radical	ch3nh3
337	CH3NH3+	protonated methylamine	ch3nh3+
338	CH3PH3+	methyl phosphine, protonated	ch3ph3+
339	NH3NH3	Ammonia Dimer	nh3nh3
340	N2H7+	ammonia ammonium dimer	n2h7+
341	LiO	lithium oxide	lio
342	LiS+	Lithium sulfide cation	lis+
343	NaO	sodium monoxide	nao
344	KO	Potassium monoxide	ko
345	KO+	Potassium monoxide cation	ko+
346	NaS	Sodium sulfide	nas
347	CuO	Copper Monoxide	cuo
348	LiSe	Lithium monoselenide	lise
349	BeO	beryllium oxide	beo
350	CaO	Calcium monoxide	cao
351	MgS-	magnesium sulfide anion	mgs-
352	MgS+	magnesium sulfide cation	mgs+
353	ZnO	zinc monoxide	zno
354	ZnS	Zinc sulfide	zns
355	BeS-	Beryllium monosulfide anion	bes-
356	BeS+	Beryllium monosulfide cation	bes+
357	BO	boron monoxide	bo
358	AlO-	Aluminum monoxide anion	alo-
359	AlO+	aluminum monoxide cation	alo+
360	BS-	boron monosulfide anion	bs-
361	BS+	boron monosulfide cation	bs+
362	AlS-	aluminum monosulfide anion	als-
363	AlS+	aluminum monosulfide cation	als+
364	ScO	Scandium monoxide	sco
365	GaO	Gallium monoxide	gao
366	GaS	Gallium monosulfide	gas
367	CS-	carbon monosulfide anion	cs-
368	CS+	carbon monosulfide cation	cs+
369	SiO-	silicon monoxide anion	sio-
370	SiO+	silicon monoxide cation	sio+
371	SiS-	silicon monosulfide anion	sis-
372	SiS+	silicon monosulfide cation	sis+
373	TiO	Titanium monoxide	tio
374	CSe	Carbon monoselenide	cse
375	CSe-	Carbon monoselenide anion	cse-
376	CSe+	Carbon monoselenide cation	cse+
377	GeO+	Germanium monoxide cation	geo+
378	GeS	Germanium monosulfide	ges
379	SiSe+	Silicon Monoselenide cation	sise+
380	GeSe	Germanium monoselenide	gese
381	NO	Nitric oxide	no
382	NS-	nitrogen sulfide anion	ns-
383	NS+	nitrogen sulfide cation	ns+
384	PO-	phosphorus monoxide anion	po-
385	PO+	phosphorus monoxide cation	po+
386	PS-	phosphorus monosulfide anion	ps-
387	PS+	phosphorus monosulfide cation	ps+
388	VO	Vanadium monoxide	vo
389	AsO	Arsenic monoxide	aso
390	NSe	Nitrogen monoselenide	nse
391	AsS	Arsenic monosulfide	ass
392	PSe	Phosphorus monoselenide	pse
393	AsSe	Arsenic monoselenide	asse
394	O2--	dioxygen dianion	o2--
395	SO-	sulfur monoxide anion	so-
396	S2-	sulfur diatomic anion	s2-
397	SeO	Selenium monoxide	seo
398	SeO-	selenium monoxide anion	seo-
399	SeO+	selenium monoxide cation	seo+
400	SeS	Selenium monosulfide	ses
401	SeS-	selenium monosulfide anion	ses-
402	SeS+	selenium monosulfide cation	ses+
403	TeO	Tellurium monoxide	teo
404	Se2-	selenium diatomic anion	se2-
405	Se2+	selenium diatomic cation	se2+
406	Te2	Tellurium diatomic	te2
407	LiOH	lithium hydroxide	lioh
408	NaOH	sodium hydroxide	naoh
409	KOH	Potassium hydroxide	koh
410	BeOH	beryllium monohydroxide	beoh
411	MgOH	magnesium hydroxide	mgoh
412	CaOH	Calcium monohydroxide	caoh
413	HBO	Boron hydride oxide	hbo
414	COH	Hydroxymethylidyne	coh
415	COH+	Carbon Monoxide, protonated	coh+
416	HCO	Formyl radical	hco
417	HCO-	formyl anion	hco-
418	HCO+	Formyl cation	hco+
419	HCS-	Thioformyl anion	hcs-
420	HCS+	Thioformyl cation	hcs+
421	HNO-	Nitrosyl hydride anion	hno-
422	HNO+	Nitrosyl hydride cation	hno+
423	NOH	Hydroxyimidogen	noh
424	NOH+	O-protonated nitric oxide	noh+
425	HNS	Sulfur imide	hns
426	HNS-	Sulfur imide anion	hns-
427	HO2	Hydroperoxy radical	ho2
428	HO2-	Hydroperoxy anion	ho2-
429	HO2+	Hydroperoxy cation	ho2+
430	HS2	Thiosulfeno radical	hs2
431	H2CO	Formaldehyde	h2co
432	H2CO-	formaldehyde anion	h2co-
433	HOCH	hydroxycarbene	hoch
434	H2CS-	thioformaldehyde anion	h2cs-
435	H2CS+	thioformaldehyde cation	h2cs+
436	H2NO	nitroxide	h2no
437	H2O2	Hydrogen peroxide	h2o2
438	H2O2+	Hydrogen peroxide cation	h2o2+
439	H2OO	water oxide	h2oo
440	HOSH	hydrogen thioperoxide	hosh
441	H2Se2	hydrogen diselenide	h2se2
442	CH2OH	Hydroxymethyl radical	ch2oh
443	CH3O	Methoxy radical	ch3o
444	CH3O-	methoxy anion	ch3o-
445	CH3O+	Methoxy cation	ch3o+
446	NH2OH+	Hydroxylamine cation	nh2oh+
447	NH3O	Ammonia Oxide	nh3o
448	NH2SH	Thiohydroxylamine	nh2sh
449	NH3S	sulfidoazane	nh3s
450	H3O2+	hydrogen peroxide, protonated	h3o2+
451	CH3OH	Methyl alcohol	ch3oh
452	CH3OH-	Methyl alcohol anion	ch3oh-
453	CH3OH+	Methyl alcohol cation	ch3oh+
454	CH3SH+	Methanethiol cation	ch3sh+
455	SiH3OH	silanol	sih3oh
456	CH3SeH	Methane selenol	ch3seh
457	NH2OH2+	protonated hydroxylamine	nh2oh2+
458	NH3OH+	N-protonated hydroxylamine	nh3oh+
459	H2OH2O	water dimer	h2oh2o
460	CH3OH2+	Methanol, protonated	ch3oh2+
461	H2ONH3	Water Ammonia Dimer	h2onh3
462	H5O2+	Dihydroxonium ion	h5o2+
463	LiF	lithium fluoride	lif
464	NaF	sodium fluoride	naf
465	KF	Potassium Fluoride	kf
466	KCl	Potassium Chloride	kcl
467	CuF	Copper monofluoride	cuf
468	LiBr	Lithium Bromide	libr
469	LiBr-	lithium bromide anion	libr-
470	LiBr+	lithium bromide cation	libr+
471	CuCl	Copper monochloride	cucl
472	NaBr	Sodium Bromide	nabr
473	NaBr-	sodium bromide anion	nabr-
474	NaBr+	sodium bromide cation	nabr+
475	KBr	Potassium Bromide	kbr
476	LiI	Lithium Iodide	lii
477	NaI	Sodium Iodide	nai
478	KI	Potassium Iodide	ki
479	BeF	Beryllium monofluoride	bef
480	MgF	Magnesium monofluoride	mgf
481	CaF	Calcium monofluoride	caf
482	CaCl	calcium monochloride	cacl
483	TiCl	Titanium Monochloride	ticl
484	ZnF	Zinc monofluoride	znf
485	ZnF-	Zinc monofluoride anion	znf-
486	ZnF+	Zinc monofluoride cation	znf+
487	ZnCl	Zinc monochloride	zncl
488	CaBr	Calcium monobromide	cabr
489	AlF-	Aluminum monofluoride anion	alf-
490	AlF+	Aluminum monofluoride cation	alf+
491	ScF	Scandium monofluoride	scf
492	BBr	Boron monobromide	bbr
493	GaF	Gallium monofluoride	gaf
494	GaF+	Gallium monofluoride cation	gaf+
495	AlBr	Aluminum monobromide	albr
496	GaCl	Gallium monochloride	gacl
497	GaCl+	Gallium monochloride cation	gacl+
498	AlI	Aluminum monoiodide	ali
499	GaBr	Gallium monobromide	gabr
500	CF	Fluoromethylidyne	cf
501	SiF-	silicon monofluoride anion	sif-
502	CBr	Carbon monobromide	cbr
503	GeF	Germanium monofluoride	gef
504	GeF+	Germanium monofluoride cation	gef+
505	GeCl	Germanium monochloride	gecl
506	GeCl+	Germanium monochloride cation	gecl+
507	SiBr	Silicon monobromide	sibr
508	SiBr+	Silicon monobromide cation	sibr+
509	NF	nitrogen fluoride	nf
510	PF-	phosphorus monofluoride anion	pf-
511	PF+	phosphorus monofluoride cation	pf+
512	AsF	Arsenic monofluoride	asf
513	NBr	nitrogen monobromide	nbr
514	AsCl	Arsenic monochloride	ascl
515	PBr	Phosphorus monobromide	pbr
516	SbF	Antimony monofluoride	sbf
517	SbCl	Antimony monochloride	sbcl
518	FO	Oxygen monofluoride	fo
519	ClO-	chlorine monoxide anion	clo-
520	SF-	sulfur monofluoride anion	sf-
521	BrO	Bromine monoxide	bro
522	BrO-	Bromine monoxide anion	bro-
523	BrO+	Bromine monoxide cation	bro+
524	SeF	Selenium monofluoride	sef
525	SBr+	Sulfur monobromide cation	sbr+
526	SeCl	Selenium monochloride	secl
527	IO	Iodine monoxide	io
528	SeBr	Selenium monobromide	sebr
529	BrCl	Bromine monochloride	brcl
530	BrF	Bromine monofluoride	brf
531	BrF-	bromine fluoride anion	brf-
532	BrF+	bromine fluoride cation	brf+
533	BrCl-	bromine chloride anion	brcl-
534	BrCl+	bromine chloride cation	brcl+
535	IF	Iodine monofluoride	if
536	Br2	Bromine diatomic	br2
537	Br2-	bromine diatomic anion	br2-
538	Br2+	bromine diatomic cation	br2+
539	ICl	Iodine monochloride	icl
540	IBr	Iodine monobromide	ibr
541	I2	Iodine diatomic	i2
542	I2+	Iodine diatomic cation	i2+
543	HCF	Fluoromethylene	hcf
544	HCCl	Chloromethylene	hccl
545	HSiF	fluorosilylene	hsif
546	HSiCl	Chlorosilylene	hsicl
547	HSiBr	monobromosilylene	hsibr
548	CHBr	bromomethylene	chbr
549	HOF	Hypofluorous acid	hfo
550	DOCl	Hypochlorous acid-d	docl
551	HOCl+	hypochlorous acid cation	hocl+
552	HOBr	Hypobromous acid	hobr
553	HOBr+	Hypobromous acid cation	hobr+
554	HOI	Hypoiodous acid	hoi
555	F2H+	Fluorine, protonated	f2h+
556	FHF	Hydrogen difluoride	fhf
557	FHF-	Hydrogen difluoride anion	fhf-
558	ClFH+	Chlorine fluoride, F-protonated	clfh+
559	FClH+	Chlorine fluoride, Cl-protonated	fclh+
560	Cl2H+	Chlorine, protonated	cl2h+
561	CH2Br	bromomethyl radical	ch2br
562	CH2F	fluoromethyl radical	ch2f
563	CH2F+	fluoromethyl cation	ch2f+
564	CH2Cl+	chloromethyl cation	ch2cl+
565	NH2F	monofluoroamine	nh2f
566	NH2Cl	chloramine	nh2cl
567	H2F2	Hydrogen fluoride dimer	h2f2
568	CH3F+	methyl fluoride cation	ch3f+
569	CD3F	methylfluoride-d3	cd3f
570	CH3F	Methyl fluoride	ch3f
571	CD3Cl	methyl chloride d3	cd3cl
572	CH3Cl+	Methyl chloride cation	ch3cl+
573	CH3Br	methyl bromide	ch3br
574	GeH3F	monofluorogermane	geh3f
575	GeH3Cl	monochlorogermane	geh3cl
576	SiH3Br	bromosilane	sih3br
577	CH3I	methyl iodide	ch3i
578	SiH3I	Silyl Iodide	sih3i
579	NH3Cl+	protonated monochloroammonia	nh3cl+
580	CH3ClH+	methyl chloride, protonated	ch3clh+
581	NH4Cl	Ammonium chloride	nh4cl
582	LiNe+	Lithium Neon cation	line+
583	Ne2	Neon diatomic	ne2
584	Ne2+	Neon diatomic cation	ne2+
585	Ar2	Argon diatomic	ar2
586	Ar2+	Argon diatomic cation	ar2+
587	Li3	Lithium trimer	li3
588	Li3+	Lithium trimer cation	li3+
589	C3+	carbon trimer cation	c3+
590	SiC2	Silicon dicarbide	sic2
591	C3H3	cyclopropenyl radical	cpr
592	C3H3	Propargyl radical	propargyl
593	C3H3-	Propargyl anion	c3h3-
594	C3H3+	cyclopropenyl cation	cpr+
595	C3H3+	Propargyl cation	c3h3+
596	C3H4	cyclopropene	cprop
597	CH2CCH2	allene	allene
598	CH3CCH	propyne	propyne
599	C3H5	Allyl radical	allyl
600	C3H5+	Allyl cation	allyl+
601	CH3CHCH	1-propenyl radical	ch3chch
602	Zn(CH3)2	dimethyl zinc	dmz
603	C3H6	Cyclopropane	c3h6
604	C3H7+	cyclopropane, protonated	c3h7+
605	CH3CHCH3	Isopropyl radical	isopropyl
606	CH3CHCH3+	Isopropyl cation	prop2yl+
607	C3H8	Propane	propane
608	LiCN	lithium cyanide	licn
609	NaCN	Sodium Cyanide	nacn
610	KCN	Potassium cyanide	kcn
611	CuCN	Copper cyanide	cucn
612	ZnCN	Zinc monocyanide	zncn
613	ZnNC	Zinc isocyanide	znnc
614	AlCN	Aluminum monocyanide	alcn
615	AlNC	Aluminum isocyanide	alnc
616	CN2	3H-Diazirin-3-ylidene	cn2
617	CNN	Diazocarbene	cnn
618	NCN	Cyanoimidogen	ncn
619	N3	azide radical	n3
620	N3-	azide anion	n3-
621	N3+	azide cation	n3+
622	HCCN	cyanomethylene	hccn
623	HCNN	diazomethyl radical	hcnn
624	HN3+	Hydrazoic acid cation	hn3+
625	HNCNH	diiminomethane	hncnh
626	CH2N2	diazirine	ch2n2
627	NH2CN	cyanamide	cyanamide
628	HNNNH+	1,2-Triazadienium	n2h3+
629	NH2NN+	hydrazoic acid, protonated	nh2nn+
630	CH3CN	Acetonitrile	ch3cn
631	CH3CN-	acetonitrile anion	ch3cn-
632	CH3CN+	Acetonitrile cation	ch3cn+
633	CHNCH2	2H-Azirine	c157164
634	CHNHCH	1H-Azirine	chnhch
635	H2CCNH	Ethenimine	ch2cnh
636	H2CNCH	methyleneaminomethylene	ch2nch
637	HCCNH2	Ethynamine	hccnh2
638	HCNCH2+	2H-Azirine cation	hcnch2+
639	HNCNH2+	diiminomethane, protonated	hncnh2+
640	NCNH3+	Cyanamide, protonated	ncnh3+
641	NH2CNH+	cyanamide, cn protonated	nh2cnh+
642	NH3CN+	cyanamide, amine protonated	nh3cn+
643	CH2CHNH	vinylazine	ch2chnh
644	CH3CHN	methylmethaniminyl radical	ch3chn
645	C2H5N	Aziridine	c2h5n
646	CH2CHNH2	aminoethene	aminoethene
647	CH2NCH3	N-methylmethanimine	nmm
648	CH3CHNH	ethanimine	ethanimine
649	NH2BHNH2	diaminoborane	nh2bhnh2
650	C2H5NH+	Protonated Aziridine	c2h5nh+
651	C2H6N+	aziridine, protonated	c2h6n+
652	NH2CH2NH2	diaminomethane	nh2ch2nh2
653	CH3NHCH3	Dimethylamine	ch3nhch3
654	CH3PHCH3	dimethylphosphine	ch3phch3
655	NH2CH2NH3+	diaminoethane, protonated	pdam
656	(CH3)2NH2+	dimethylammonium cation	dmam
657	CH3CH2NH3+	ethylamine, protonated	pea
658	Li2O+	dilithium oxide cation	li2o+
659	Na2O	disodium monoxide	na2o
660	Na2S	Sodium sulfide	na2s
661	LiO2	Lithium dioxide	lio2
662	NaO2	Sodium superoxide	nao2
663	CCO	Dicarbon monoxide	cco
664	CNO-	fulminate	cno-
665	NCO	isocyanato radical	nco
666	NCO-	cyanate	nco-
667	BO2	Boron dioxide	bo2
668	BO2-	Boron dioxide anion	bo2-
669	BO2+	Boron dioxide cation	bo2+
670	N2O	Nitrous oxide	n2o
671	N2O-	Nitrous oxide anion	n2o-
672	N2O+	Nitrous oxide cation	n2o+
673	PPO	Phosphorus oxide phosphide	ppo
674	CO2-	Carbon dioxide anion	co2-
675	CO2+	Carbon dioxide cation	co2+
676	OCS+	Carbonyl sulfide cation	cos+
677	CS2-	Carbon disulfide anion	cs2-
678	CS2+	Carbon disulfide cation	cs2+
679	TiO2	Titanium dioxide	tio2
680	GeO2	Germanium dioxide	geo2
681	OCSe	Carbonyl selenide	ocse
682	SCSe	Carbon sulfide selenide	scse
683	GeS2	Germanium disulfide	ges2
684	CSe2	Carbon diselenide	cse2
685	SCTe	Carbon sulfide Telluride	scte
686	NO2	Nitrogen dioxide	no2
687	NO2-	Nitrogen dioxide anion	no2-
688	NO2+	Nitrogen dioxide cation	no2+
689	PO2-	Phosphorus dioxide anion	po2-
690	PO2+	Phosphorus dioxide cation	po2+
691	AsO2	Aresenic dioxide	aso2
692	O3	Ozone	o3
693	O3-	Ozone anion	o3-
694	O3+	Ozone cation	o3+
695	SO2-	Sulfur dioxide anion	so2-
696	SO2+	Sulfur dioxide cation	so2+
697	SeO2	Selenium dioxide	seo2
698	SeO2+	Selenium dioxide cation	seo2+
699	TeO2	Tellurium Dioxide	teo2
700	CS2H+	Carbon disulfide, protonated	cs2h+
701	HNCS	Isothiocyanic acid	hncs
702	HSCN	thiocyanic acid	hscn
703	HNNO	nitrosoazane	hnno
704	HNNO+	Nitrous oxide, N-protonated	hnno+
705	NNOH+	Nitrous Oxide, O-protonated	nnoh+
706	HCOO	formate neutral radical	hcoo
707	HOCO+	Hydrocarboxyl cation	hoco+
708	HNO2	Nitrous acid	hno2
709	HNO2+	nitrous acid cation	hno2+
710	O3H+	protonated ozone	o3h+
711	SO2H+	protonated sulfur dioxide	so2h+
712	C2H2O	Oxirene	oxirene
713	CH2CO	Ketene	ch2co
714	CH2CO+	Ketene cation	ch2co+
715	Be(OH)2	Beryllium hydroxide	beo2h2
716	Mg(OH)2	Magnesium dihydroxide	h2mgo2
717	NH2NO	Nitrosamide	nh2no
718	H2COO	Dioxymethyl radical	h2coo
719	H2COO+	dioxymethyl cation	h2coo+
720	HCOOH	Formic acid	ch2o2
721	H2O3	Hydrogen trioxide	h2o3
722	NaOCH3	Sodium methoxide	naoch3
723	CH2BOH	hydroxy(methylene)borane	ch2boh
724	BH3CO	Borane carbonyl	bh3co
725	CH3BO	Borane, methyloxo-	ch3bo
726	CH2CHO	Vinyloxy radical	ch2cho
727	CH2COH+	ketene, protonated	ch2coh+
728	CH3CO-	Acetyl anion	ch3co-
729	CH3CO+	acetyl cation	ch3co+
730	CH2NOH	formaldoxime	ch2noh
731	CH3NO	nitrosomethane	ch3no
732	CHONH2	formamide	formamide
733	CNOH3	1,2-oxaziridine	cnoh3
734	HOCHNH	hydroxymethylimine	hochnh
735	CHSNH2	thioformamide	chsnh2
736	NHCHSH	Methanimidothioic acid	nhchsh
737	CH2OOH	CH2OOH radical	ch2ooh
738	CH3OO-	methylperoxy anion	ch3oo-
739	CH3OO+	methylperoxy cation	ch3oo+
740	C2H4O	Ethylene oxide	c2h4o
741	C2H4O+	ethylene oxide cation	c2h4o+
742	CH3CHO	Acetaldehyde	ch3cho
743	CH3CHO+	acetaldehyde cation	ch3cho+
744	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
745	CH2CHSH	Ethenethiol	ch2chsh
746	H2CONH2+	protonated formamide	h2conh2+
747	NH2CHOH+	Formamide, O-protonated	nh2choh+
748	NH3CHO+	Formamide, N-Protonated	nh3cho+
749	CH2(OH)2	methanediol	ch2o2h2
750	HSCH2SH	Methanedithiol	ch4s2
751	H2OH2CO	water formaldehyde dimer	h2oh2co
752	C2H4OH+	ethylene oxide, protonated	c2h4oh+
753	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
754	CH3CH2O	Ethoxy radical	ethoxy
755	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
756	CH3CHOH+	acetaldehyde, protonated	ch3choh+
757	CH3OCH2	methoxymethyl radical	ch3och2
758	NH2CH2OH	aminomethanol	nh2ch2oh
759	CH3CH2OH	Ethanol	etoh
760	CH3OCH3	Dimethyl ether	meome
761	CH3SCH3+	dimethyl sulfide cation	mesme+
762	CH3SeCH3	dimethylselenide	dmse
763	CH3OHH2O	methanol water dimer	ch3ohh2o
764	H2OCH3OH	water methanol dimer	h2och3oh
765	CuF2	Copper difluoride	cuf2
766	ZnF2	Zinc difluoride	znf2
767	CNF	iso cyanogen fluoride	cnf
768	BrCN	Cyanogen bromide	brcn
769	ICN	Cyanogen iodide	icn
770	FBO	Boron monofluoride monoxide	fbo
771	BeF2	Beryllium fluoride	bef2
772	MgF2	Magnesium fluoride	mgf2
773	BeCl2	Beryllium chloride	becl2
774	CaCl2	Calcium Chloride	cacl2
775	ZnCl2	Zinc dichloride	zncl2
776	BeBr2	Beryllium bromide	bebr2
777	CaBr2	Calcium dibromide	cabr2
778	CaF2	Calcium difluoride	caf2
779	FCO	Carbonyl fluoride	fco
780	FCO+	Carbonyl fluoride cation	fco+
781	ClCO	carbonyl monochloride	clco
782	BF2	Boron difluoride radical	bf2
783	FNO	Nitrosyl fluoride	fno
784	BrNO	Nitrosyl bromide	brno
785	INO	Nitrosyl iodide	ino
786	CF2	Difluoromethylene	cf2
787	CF2-	Difluoromethylene anion	cf2-
788	CF2+	Difluoromethylene cation	cf2+
789	CFCl	chlorofluoromethylene	cfcl
790	SiF2	Silicon difluoride	sif2
791	SiF2+	Silicon difluoride cation	sif2+
792	CCl2-	dichloromethylene anion	ccl2-
793	CCl2+	dichloromethylene cation	ccl2+
794	GeF2	Germanium difluoride	gef2
795	CBr2	dibromomethylene	cbr2
796	FOO	Dioxygen monofluoride radical	foo
797	FOO+	Fluorine dioxide cation	foo+
798	ClOO+	chloroperoxy cation	cloo+
799	OClO-	Chlorine dioxide anion	oclo-
800	OClO+	Chlorine dioxide cation	oclo+
801	BrOO	Bromine dioxide	broo
802	OBrO	Bromine dioxide radical	obro
803	NF2	Difluoroamino radical	nf2
804	NF2+	Difluoroamino cation	nf2+
805	PF2	Phosphorus difluoride	pf2
806	PF2+	Phosphorus difluoride cation	pf2+
807	F2O	Difluorine monoxide	f2o
808	SF2-	sulfur difluoride anion	sf2-
809	SF2+	sulfur difluoride cation	sf2+
810	SeF2	Selenium difluoride	sef2
811	BrOCl	Bromine hypochlorite	brocl
812	BrOBr	Bromine oxide	brobr
813	F3-	trifluoride anion	f3-
814	Cl3-	trichloride anion	cl3-
815	Br3-	tribromide anion	br3-
816	I3-	triiodide	i3-
817	SFCl	Sulfur chloride fluoride	sfcl
818	HCCF+	fluoroacetylene cation	hccf+
819	HCCCl	Chloroacetylene	hcccl
820	HCCBr	bromoacetylene	hccbr
821	HFCO+	formyl fluoride cation	hfco+
822	COHCl	Formyl chloride	cohcl
823	COHBr	Formyl bromide	cohbr
824	BHF2	Difluoroborane	bhf2
825	CHCl2	dichloromethyl radical	chcl2
826	CHF2	difluoromethyl radical	chf2
827	CHF2+	difluoromethyl cation	chf2+
828	CHFCl	Chlorofluoromethyl radical	chfcl
829	CHFCl+	Chlorofluoromethyl cation	chfcl+
830	CHCl2+	dichloromethyl cation	chcl2+
831	CHBr2	dibromomethyl radical	chbr2
832	HOClO	Chlorous acid	hoclo
833	NHF2	difluoramine	nhf2
834	NHCl2	dichloroamine	nhcl2
835	SiH2F2	difluorosilane	sih2f2
836	CH2BrF	Methane, bromofluoro-	ch2fbr
837	CH2BrCl	Methane, bromochloro-	ch2clbr
838	CH2FI	fluoroiodomethane	ch2fi
839	CH2Br2	dibromomethane	ch2br2
840	CH2ClI	chloroiodomethane	ch2cli
841	CH2BrI	bromoiodomethane	ch2bri
842	CH2I2	Diiodomethane	ch2i2
843	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
844	CH2CHF	Ethene, fluoro-	ch2chf
845	CH2CHF+	fluoroethene cation	ch2chf+
846	C2H3Br	vinyl bromide	c2h3br
847	C2H3I	Vinyl iodide	c2h3i
848	CH2FOH	fluoromethanol	ch2foh
849	CH3OCl	methyl hypochlorite	ch3ocl
850	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
851	CHClCH3	1-chloroethyl radical	chclch3
852	CH3CH2Cl	Ethyl chloride	c2h5cl
853	CH3SiFH2	fluoromethylsilane	ch3sifh2
854	C2H5Br	Ethyl bromide	etbr
855	C2H5I	Ethyl iodide	c2h5i
856	KrF2	Krypton difluoride	krf2
857	XeF2	Xenon difluoride	xef2
858	B4H10	Tetraborane(10)	b4h10
859	C4+	Carbon tetramer cation	c4+
860	C4H2+	diacetlyene cation	c4h2+
861	C4H4	cyclobutadiene	cbd
862	C4H4	Tetrahedrane	c4h4
863	C4H6	1-Methylcyclopropene	c3100047
864	C4H6	Cyclobutene	c822355
865	C4H6	Methylenecyclopropane	c6142730
866	CH2CCHCH3	1,2-Butadiene	butad12
867	CH2CHCHCH2	1,3-Butadiene	c106990
868	CH3CCCH3	2-Butyne	c503173
869	CHCCH2CH3	1-Butyne	c107006
870	CH3CHCHCH2	methylallyl radical	c4h7
871	C4H8	methylcyclopropane	mcp
872	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
873	CH2CHCH2CH3	1-Butene	bute1
874	B(CH3)3	trimethylborane	bme3
875	Al(CH3)3	trimethyl aluminum	tma
876	C(CH3)3	Tert-butyl radical	tbutyl
877	CH2CH(CH3)2	Isobutyl radical	isobutyl
878	CH3CHCH2CH3	2-Butyl radical	butyl2
879	CH3CH(CH3)CH3	Isobutane	isobutane
880	CH3CH2CH2CH3	Butane	butane
881	Li3N	trilithium nitride	li3n
882	C2N2	Cyanogen	c2n2
883	C2N2+	Cyanogen cation	c2n2+
884	As4	Arsenic tetramer	as4
885	HCCCN+	Cyanoacetylene cation	hcccn+
886	H2CNCN	cyanamide, methylene	ch2ncn
887	HNCCNH	Ethenediimine	hnccnh
888	C3H3N	acrylonitrile	ch2chcn
889	C3H3N+	acrylonitrile cation	ch2chcn+
890	CH3N3	methyl azide	ch3n3
891	NH2CCNH2	Diaminoacetylene	daa
892	NH2CH2CN	Aminoacetonitrile	aan
893	CH3NHN2+	methyl azide, protonated	ch3nhn2+
894	C2H5CN	ethyl cyanide	c2h5cn
895	CH5N3	Guanidine	guanidine
896	C4H6	Bicyclo[1.1.0]butane	c157335
897	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
898	H2NCHCHNH2	diaminoethylene	dae
899	CH6N3+	guanidinium	ch6n3+
900	C3H7N	Cyclopropylamine	cpram
901	CH7N3	triaminomethane	tam
902	C3H7N	Azetidine	azet
903	C4H8	cyclobutane	cbutane
904	CH3NHNHCH3	dimethyl hydrazine	dmh
905	CH3CH(NH2)CH3	2-Propanamine	pram2
906	N(CH3)3	Trimethylamine	trimeam
907	NH2CH2CH2CH3	1-Propanamine	pram1
908	P(CH3)3	trimethylphosphine	tmp
909	N(SiH3)3	trisilylamine	tsa
910	As(CH3)3	trimethyl arsine	tmas
911	(CH3)3NH+	protonated trimethyl amine	ptma
912	C3H7NH3+	n-propylamine, protonated	c3h7nh2
913	Li2O2	dilithium dioxide	li2o2
914	Na2O2	disodium dioxide	na2o2
915	K2O2	dipotassium dioxide	k2o2
916	C3O	Tricarbon monoxide	c3o
917	B2O2	Diboron dioxide	b2o2
918	ONNO	NO dimer	onno
919	CO3	Carbon trioxide	co3
920	NO3-	nitrate anion	no3-
921	NO3+	nitrogen trioxide cation	no3+
922	SO3-	Sulfur trioxide anion	so3-
923	SO3--	Sulfate dianion	so3--
924	SO3+	Sulfur trioxide cation	so3+
925	SeO3	selenium trioxide	seo3
926	TeO3	Tellurium trioxide	teo3
927	HCO3-	bicarbonate anion	hco3-
928	HNO3	Nitric acid	hno3
929	HSO3	Hydroxysulfonyl radical	hso3
930	NH2NO2	nitramide	nh2no2
931	C2H2CO	cyclopropenone	c2h2co
932	C3H2O	Propadienal	c3h2o
933	HCCCHO	2-propynal	hcccho
934	C2H2O2	Ethanedial	c2h2o2
935	C2H2O2+	Ethanedial cation	c2h2o2+
936	H2CO3	Carbonic acid	h2co3
937	H2CS3	thiocarbonic acid	h2cs3
938	H2NO3+	Nitric Acid, Protonated	h2no3+
939	H2SO3	Sulfurous acid	h2so3
940	C2H3NO	Nitrosoethylene	c2h3no
941	CH3NCO	methylisocyante	ch3nco
942	HOCH2CN	cyanomethanol	hoch2cn
943	CH3NO2	Methane, nitro-	ch3no2
944	NH2COOH	Carbamic acid	nh2cooh
945	H3BO3	Boric acid	h3bo3
946	H3CO3+	carbonic acid, protonated	h3co3+
947	C3H4O	2-Propyn-1-ol	c107197
948	C3H4O	Cyclopropanone	cpone
949	C3H4O	Methylketene	c6004440
950	NH2CONH2	Urea	urea
951	NH2CONH2+	Urea cation	urea+
952	C2H4O2	1,3-dioxetane	c2h4o2
953	CH3COOH	Acetic acid	ch3cooh
954	CH3OCHO	methyl formate	ch3ocho
955	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
956	NH3COOH+	protonated Carbamic acid	nh3cooh+
957	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
958	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
959	HCOOHH2O	Formic acid water dimer	hcoohh2o
960	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
961	CH3COCH2	Acetonyl radical	ch3coch2
962	CH2C(OH)NH2	1-amino vinyl alchohol	ava
963	CH3C(OH)=NH	Ethaninidic acid	eia
964	CH3CHNOH	Acetaldoxime	acetaldoxime
965	CH3CONH2	Acetamide	acetamide
966	HCONHCH3	N-methylformamide	nmfa
967	CH5N2O+	urea, N-protonated	ch4n2o+
968	H2NCOHNH2+	urea, protonated	ureah+
969	C2H5OO	ethylperoxy radical	c2h5oo
970	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
971	C3H5OH	Cyclopropanol	cproh
972	C3H6O	2-Propen-1-ol	c107186
973	C3H6O	Acetone enol	enol
974	C3H6O	Oxetane	oxetane
975	C3H6O	Propylene oxide	prox
976	CH3COCH3	Acetone	acetone
977	CH3COCH3-	acetone anion	ch3coch3-
978	C3H6S	Thiirane, methyl-	methiirane
979	CH3CSCH3	Thioacetone	ch3csch3
980	C2H6O2	1,2-Ethanediol	ethdiol
981	CH3OOCH3	dimethylperoxide	dmp
982	CH3SOCH3	Dimethyl sulfoxide	dmso
983	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
984	CH3COHCH3+	acetone, protonated	acetoneh+
985	HOCH2CH2NH2	monoethanolamine	mea
986	CH3CHOHCH3	Isopropyl alcohol	isoproh
987	CH3OC2H5	Ethane, methoxy-	etome
988	C3H7SH	1-Propanethiol	prsh
989	CH3CHSHCH3	2-Propanethiol	isoprsh
990	CH3SCH2CH3	Ethane, (methylthio)-	etsme
991	H2OCH3OCH3	water dimethylether dimer	h2och3och3
992	Li2F2	Lithium fluoride dimer	li2f2
993	Na2F2	Sodium Fluoride Dimer	na2f2
994	Na2Cl2	Disodium dichloride	na2cl2
995	C2Cl2+	dichloroacetylene cation	c2cl2+
996	FNO2	Nitryl fluoride	fno2
997	FONO	Nitrosyl hypofluorite	fono
998	ClONO	chlorine nitrite	clono
999	BrONO	Bromine nitrite	brono
1000	N2F2	(Z)-Difluorodiazene	n2f2_z
1001	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
1002	CF2O	Carbonic difluoride	f2co
1003	CF2O+	Carbonic difluoride cation	f2co+
1004	COFCl	Carbonic chloride fluoride	cofcl
1005	COBr2	Carbonic dibromide	cobr2
1006	BF3	Borane, trifluoro-	bf3
1007	BF3-	Borane, trifluoro- anion	bf3-
1008	BF3+	boron trifluoride cation	bf3+
1009	BClF2	Chlorodifluoroborane	bclf2
1010	ScF3	Scandium trifluoride	ScF3
1011	BCl3+	Boron Trichloride cation	bcl3+
1012	GaF3	Gallium trifluoride	gaf3
1013	GaCl3	Gallium trichloride	gacl3
1014	BBr3	Boron tribromide	bbr3
1015	AlBr3	Aluminum Bromide	albr3
1016	ClO3	Chlorine trioxide	clo3
1017	BrO3-	Bromate anion	bro3-
1018	CF3	Trifluoromethyl radical	cf3
1019	CF3-	Trifluoromethyl anion	cf3-
1020	CF3+	Trifluoromethyl cation	cf3+
1021	CF2Cl	difluorochloromethyl radical	cf2cl
1022	SiF3+	Silicon trifluoride cation	sif3+
1023	CFCl2	dichlorofluoromethyl radical	cfcl2
1024	CCl3	Trichloromethyl radical	ccl3
1025	CCl3-	Trichloromethyl anion	ccl3-
1026	CCl3+	Trichloromethyl cation	ccl3+
1027	CBr3	tribromomethyl radical	cbr3
1028	FOOF	Perfluoroperoxide	foof
1029	ClOOCl	Dichlorine dioxide	cloocl
1030	SeOCl2	selenium oxychloride	seocl2
1031	NF3	Nitrogen trifluoride	nf3
1032	NF3-	Nitrogen trifluoride anion	nf3-
1033	NF3+	Nitrogen trifluoride cation	nf3+
1034	AsF3	Arsenic trifluoride	asf3
1035	SbF3	Antimony Trifluoride	sbf3
1036	AsCl3	Arsenous trichloride	ascl3
1037	SbCl3	Antimony Trichloride	sbcl3
1038	NBr3	Nitrogen Tribromide	nbr3
1039	PBr3	Phosphorus tribromide	pbr3
1040	AsBr3	Arsenic tribromide	asbr3
1041	NI3	Nitrogen triiodide	ni3
1042	PI3	Phosphorus triiodide	pi3
1043	BrF3	Bromine trifluoride	brf3
1044	IF3	iodone trifluoride	if3
1045	CHF3	Methane, trifluoro-	chf3
1046	SiHF3	trifluorosilane	sihf3
1047	CDCl3	trichloromethane-d	cdcl3
1048	CHBrF2	Methane, bromodifluoro-	chbrf2
1049	CHFClBr	fluorochlorobromomethane	chfclbr
1050	CHBrCl2	Methane, bromodichloro-	chbrcl2
1051	CHF2I	difluoroiodomethane	chf2i
1052	CHBr2F	dibromofluoromethane	chbr2f
1053	CHFClI	fluorochloroiodomethane	chfcli
1054	CHCl2I	dichloroiodomethane	chcl2i
1055	CHClBr2	Methane, dibromochloro-	chclbr2
1056	CHBr3	bromoform	chbr3
1057	CHI3	Iodoform	chi3
1058	NF3H+	protonated nitrogen trifluoride	nf3h+
1059	AsF3H+	Arsenic trifluoride, protonated	asf3h+
1060	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1061	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
1062	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
1063	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1064	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1065	C2H2Br2	1,1-dibromoethene	c2h2br2
1066	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1067	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1068	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1069	CH3COF	Acetyl fluoride	ch3cof
1070	CH2ClCHO	chloroacetaldehyde	ch2clcho
1071	C2H4F2	1,2-difluoroethane	c2h4f2
1072	CH3CHF2	Ethane, 1,1-difluoro-	ch3chf2
1073	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1074	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1075	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1076	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
1077	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
1078	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
1079	CH2CFCH3	2-fluoropropene	2fpro
1080	CH2CHCH2F	Allyl Fluoride	allylf
1081	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
1082	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
1083	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
1084	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
1085	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
1086	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
1087	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
1088	CH2FCH2CH3	1-Fluoropropane	prf1
1089	CH3CHFCH3	2-Fluoropropane	prf2
1090	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
1091	CH3CHClCH3	Propane, 2-chloro-	prcl2
1092	CH3CH2CH2Br	n-propyl bromide	prbr
1093	CH3CHBrCH3	i-propyl bromide	iprbr
1094	C3H9O+	trimethyl oxonium cation	c3h9o+
1095	B5H9	pentaborane9	b5h9
1096	C5H4	pentatetraene	ptrene
1097	C5H5	cyclopentadienyl radical	c5h5
1098	C5H6	1,3-Cyclopentadiene	c542927
1099	C5H6	1-Buten-3-yne, 2-methyl-	c78808
1100	C5H6	3-Penten-1-yne, (E)-	c2004695
1101	C5H6	3-Penten-1-yne, (Z)-	c1574409
1102	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
1103	C5H6	Cyclopropylacetylene	c6746947
1104	C5H6	Propellane	propellane
1105	C5H7	1,3-pentadienyl radical	pdyl
1106	C5H7	cyclopentenyl radical	cpyl
1107	C5H8	1,2-Butadiene, 3-methyl-	c598254
1108	C5H8	1,2-Pentadiene	c591957
1109	C5H8	1,3-Butadiene, 2-methyl-	c78795
1110	C5H8	1,3-Pentadiene, (E)-	c2004708
1111	C5H8	1-pentyne	a1pentyne
1112	C5H8	2,3-Pentadiene	c591968
1113	C5H8	Bicyclo[1.1.1]pentane	bcp
1114	C5H8	Ethenylcyclopropane	c693867
1115	CH3CCCH2CH3	2-Pentyne	2pentyne
1116	C5H10	1-Butene, 2-methyl-	c563462
1117	C5H10	2-Butene, 2-methyl-	c513359
1118	C5H10	2-Pentene, (E)-	c646048
1119	C5H10	2-Pentene, (Z)-	c627203
1120	C5H10	Cyclopentane	c287923
1121	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1122	C5H11	2-Methylbut-2-yl radical	c4348350
1123	C5H12	Butane, 2-methyl-	buta2
1124	C5H12	Pentane	pentane
1125	C5H12	Propane, 2,2-dimethyl-	neopentane
1126	CH2N4	1H-Tetrazole	1htz
1127	C3H3N2	imidazolyl radical	im
1128	C3H3N2-	imidizolyl anion	im-
1129	C2H3N3	1H-1,2,4-Triazole	c288880
1130	C4H4N	pyrrolide radical	c4h4n
1131	C4H4N-	pyrrolide anion	c4h4n-
1132	C3H4N2	1H-Imidazole	1himidaz
1133	C3H4N2	1H-Pyrazole	1hpyraz
1134	C3H4N2	2H-Imidazole	imid2h
1135	C3H4N2	4H-Imidazole	imid4h
1136	C4H5N	(E)-2-Butenenitrile	c627269
1137	C4H5N	(Z)-2-Butenenitrile	c1190767
1138	C4H5N	2H-pyrrole	pyrrole2
1139	C4H5N	3H-pyrrole	pyrrole3
1140	C4H5N	Cyclopropanecarbonitrile	c5500210
1141	C4H5N	Pyrrole	pyrrole
1142	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1143	C4H6N+	pyrrole, alpha-protonated	appyr
1144	C4H6N+	pyrrole, beta-protonated	bppyr
1145	C4H6N+	pyrrole, protonated	ppyr
1146	C3H6N2	3-Aminopropionitrile	c151188
1147	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1148	CH3CH2CH2CN	Butanenitrile	c109740
1149	C5H8	Bicyclo[2.1.0]pentane	c185944
1150	C5H8	Spiropentane	c157404
1151	C4H9N	Cyclobutylamine	cbam
1152	C3H10N2	1,2-Diaminopropane	diampr12
1153	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1154	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1155	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1156	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1157	NH(C2H5)2	diethylamine	dea
1158	NC4H12+	tetramethyl ammonium cation	nc4h12+
1159	C3O2	Carbon suboxide	c3o2
1160	C3O2+	Carbon suboxide cation	c3o2+
1161	B2O3	diboron trioxide	b2o3
1162	MgCO3	Magnesium Carbonate	mgco3
1163	BeCO3	Beryllium Carbonate	beco3
1164	CaCO3	Calcium Carbonate	caco3
1165	ONONO	Nitrosyl nitrite	onono
1166	HOONO2	peroxy nitric acid	hoono2
1167	HSO4-	bisulfate anion	hso4-
1168	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1169	C3H2O2	Propiolic acid	c3h2o2
1170	CHOCOOH	oxo acetic acid	oaa
1171	CHOOCHO	diformyl ether	choocho
1172	H2SeO4	Selenic acid	h2seo4
1173	C3H3NO	Isoxazole	isox
1174	C3H3NO	Oxazole	oxazole
1175	C3H3NS	Thiazole	thiazole
1176	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1177	CH3NO3	Methyl nitrate	ch3no3
1178	H3PO4	Phosphoric Acid	h3po4
1179	C4H4O	Furan	furan
1180	C4H4O+	Furan cation	furan+
1181	CH3COCCH	3-butyn-2-one	c1423605
1182	C4H4Se	selenophene	c4h4se
1183	C3H4O2	β–Propiolactone	beta
1184	C3H4O2	2-Propenoic acid	propenoic2
1185	C3H4O2	Methyl glyoxal	megly
1186	HOCHCCHOH	allenediol	aldiol
1187	C2H4O3	1,2,3-trioxolane	c2h4o3
1188	C2H4O3	trioxolane124	triox
1189	HOCH2COOH	Hydroxyacetic acid	hac
1190	CH2CHCONH2	Acrylamide	c79061
1191	CH5N3S	Hydrazinecarbothioamide	c79196
1192	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1193	C4H6O	Cyclobutanone	cbutone
1194	C4H6O	Furan, 2,3-dihydro-	furan23h
1195	CH2CHOCHCH2	Vinyl ether	vinylether
1196	CHOCHCHCH3	2-Butenal	butenal2
1197	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1198	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1199	CH2CHSCHCH2	Divinyl sulfide	divis
1200	C2H6N2O	Urea, methyl-	c598505
1201	CH3CH2COOH	Propanoic Acid	propanoic
1202	HCOOC2H5	Ethyl formate	faee
1203	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1204	C3H7NO	dimethylformamide	dmf
1205	C3H7NO	Propanamide	propanam
1206	C2H3OC2H5	Ethene, ethoxy-	c109922
1207	C4H8O	Furan, tetrahydro-	thf
1208	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1209	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1210	CHOCH2CH2CH3	Butanal	butanal
1211	C4H8S	Thiophene, tetrahydro-	tht
1212	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1213	C3H8O2	Methane, dimethoxy-	c109875
1214	C3H8O2	Propylene glycol	c57556
1215	C3H8S2	1,3-Propanedithiol	c109808
1216	C4H10O	1-Butanol	butanol1
1217	C4H10O	2-Butanol, (.+/-.)-	butanol2
1218	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1219	C4H10O	Ethoxy ethane	etoet
1220	C4H10O	Methyl propyl ether	meopr
1221	C4H10O	Propane, 2-methoxy-	c598538
1222	C4H10O+	1-Butanol cation	butanol1+
1223	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1224	C2H5SC2H5	Diethyl sulfide	etset
1225	C4H9SH	1-Butanethiol	bush
1226	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1227	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1228	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1229	FNO3	Fluorine nitrate	fno3
1230	ClONO2	Chlorine nitrate	clono2
1231	BrONO2	Bromine nitrate	brono2
1232	TiCl4	Titanium tetrachloride	ticl4
1233	SO2F2	Sulfuryl fluoride	so2f2
1234	F3NO	Nitrogen trifluoride oxide	f3no
1235	CF4	Carbon tetrafluoride	cf4
1236	TiF4	Titanium tetrafluoride	tif4
1237	CF3Br	Bromotrifluoromethane	cf3br
1238	GeF4	Germanium tetrafluoride	gef4
1239	CCl4+	Carbon tetrachloride cation	ccl4+
1240	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1241	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1242	CF3I	trifluoroiodomethane	cf3i
1243	CBrCl3	Methane, bromotrichloro-	cbrcl3
1244	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1245	GeCl4	Germanium Tetrachloride	gecl4
1246	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1247	CBr2Cl2	dibromodichloromethane	cbr2cl2
1248	CCl3I	trichloroiodomethane	ccl3i
1249	CFBr3	fluorotribromomethane	cfbr3
1250	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1251	CBr3Cl	tribromochloromethane	cbr3cl
1252	CF2I2	difluorodiiodomethane	cf2i2
1253	CBr4	Carbon tetrabromide	cbr4
1254	CCl2I2	dichlorodiiodomethane	ccl2i2
1255	SiBr4	Silicon tetrabromide	sibr4
1256	CBr3I	tribromoiododmethane	cbr3i
1257	GeBr4	Germanium tetrabromide	gebr4
1258	CI4	tetraiodomethane	ci4
1259	SiI4	silicon tetraiodide	sii4
1260	ClOF3	Chlorine trifluoride oxide	clof3
1261	SeF4	Selenium tetrafluoride	sef4
1262	SCl4	Sulfur tetrachloride	scl4
1263	C2HF3+	Trifluoroethylene cation	c2hf3+
1264	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1265	HSO3F	Fluorosulfonic acid	hso3f
1266	CF3OH	trifluoromethanol	cf3oh
1267	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1268	CHClCCHCl	1,3-dichloroallene	chclcchcl
1269	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1270	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1271	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1272	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1273	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1274	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1275	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1276	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1277	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1278	NH3BCl3	Amminetrichloroboron	nh3bcl3
1279	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1280	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1281	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1282	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1283	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1284	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1285	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1286	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1287	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1288	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1289	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1290	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1291	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1292	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1293	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1294	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1295	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1296	C4H9F	1-fluorobutane	butaf1
1297	CH3CHFCH2CH3	2-fluorobutane	butaf2
1298	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1299	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1300	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1301	XeF4	Xenon tetrafluoride	xef4
1302	C2H2N2O	Furazan	furazan
1303	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1304	NH3BF3	Amminetrifluoroboron	nh3bf3
1305	C6H2	hexatriyne	c6h2
1306	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1307	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1308	C6H4	Benzyne	benzyne
1309	C6H5	phenyl	phenyl
1310	C6H5-	phenyl anion	phenyl-
1311	C6H6	Prismane	prismane
1312	C6H6	1,2,4,5-Hexatetraene	ht1245
1313	C6H6	2,4-Hexadiyne	hexadiyne
1314	C6H6	3,4-Dimethylenecyclobutene	cb34m
1315	C6H6	Benzene	benzene
1316	C6H6	Benzvalene	bv
1317	C6H6	Dewar Benzene	dewar
1318	C6H6	Hexa-1,5-diene-3-yne	hdy153
1319	C6H6	Trimethylenecycopropane	tmcp
1320	C6H6+	Benzene cation	c6h6+
1321	C6H7+	benzene, protonated	c6h7+
1322	C6H8	(E)-hexa-1,3,5-triene	c821078
1323	C6H8	(E)-hexa-2,3,4-triene	c59660650
1324	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1325	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1326	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1327	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1328	C6H8	3-Methylenecyclopentene	c930267
1329	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1330	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1331	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1332	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1333	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1334	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1335	C6H10	1,5-Hexadiene	c592427
1336	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1337	C6H10	1-Hexyne	hexyne1
1338	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1339	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1340	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1341	C6H10	2-Hexyne	c764352
1342	C6H10	3-Hexyne	hexyne3
1343	C6H10	Cyclopentene, 1-methyl-	c693890
1344	C6H10	Cyclopentene, 3-methyl-	c1120623
1345	C6H10	Cyclopentene, 4-methyl-	c1759815
1346	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1347	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1348	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1349	C6H12	(E)-2-Hexene	e2hexene
1350	C6H12	(E)-3-methylpent-2-ene	c616126
1351	C6H12	(E)-hex-3-ene	e3hexene
1352	C6H12	(Z)-3-methylpent-2-ene	c922623
1353	C6H12	(Z)-hex-2-ene	z2hexene
1354	C6H12	(Z)-hex-3-ene	z3hexene
1355	C6H12	2,3-dimethylbut-1-ene	c563780
1356	C6H12	2,3-dimethyl-but-2-ene	tmeet
1357	C6H12	3-methylenepentane	c760214
1358	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1359	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1360	C6H12	Cyclohexane	cyclohexane
1361	C6H12	Cyclopentane, methyl-	c96377
1362	C6H12	Ethylcyclobutane	c4806615
1363	C6H12	hex-1-ene	hexene1
1364	C6H14	Butane, 2,2-dimethyl-	buta22
1365	C6H14	Hexane	hexane
1366	C6H14	Pentane, 2-methyl-	penta2
1367	C6H14	Pentane, 3-methyl-	penta3
1368	C4N2	2-Butynedinitrile	c4n2
1369	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1370	C4H2N2	Fumaronitrile	c4h2n2
1371	C2H2N4	sym-tetrazine	ttz
1372	C3H3N3	1,3,5-Triazine	triazine135
1373	CH3N5	5-Aminotetrazole	c4418615
1374	C4H4N2	1,3-Diazine	diazine13
1375	C4H4N2	Pyridazine	pyridazine
1376	C4H4N2	Succinonitrile	c110612
1377	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1378	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1379	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1380	C5H5N	E-2,4-pentadienenitrile	bdcn
1381	C5H5N	Pyridine	pyridine
1382	B3N3H6	borazine	borazine
1383	C5H6N+	Pyridinium	c5h6n
1384	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1385	C5H7N	(E)-2-Pentenenitrile	c26294984
1386	C5H7N	(E)-3-Pentenenitrile	c16529661
1387	C5H7N	(Z)-2-Pentenenitrile	c25899507
1388	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1389	C5H7N	Cyclobutanecarbonitrile	c4426113
1390	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1391	C5H9N	Butanenitrile, 2-methyl-	c18936179
1392	C5H9N	Pentanenitrile	c110598
1393	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1394	C6H10	Bicyclo[3.1.0]hexane	c285585
1395	C5H11N	Cyclopentanamine	cypentam
1396	C5H11N	Piperidine	piper
1397	C4H12N2	1,2-Butanediamine	c4426486
1398	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1399	Li2CO3	Lithium Carbonate	li2co3
1400	Na2CO3	Sodium Carbonate	na2co3
1401	C2O4--	oxalate anion	c2o4
1402	MgSO4	Magnesium Sulfate	mgso4
1403	N2O4	Dinitrogen tetroxide	n2o4
1404	C3H2O3	vinylene carbonate	vica
1405	C2H2O4	Oxalic Acid	oxalic
1406	C4H4O2	2(5H)-Furanone	furanone
1407	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1408	C2H4N2O2	Oxalamide	oxalamide
1409	C2H4N2S2	Ethanedithioamide	c79403
1410	C2H4CO3	Ethylene carbonate	etco3
1411	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1412	C3H4S3	1,3-Dithiolane-2-thione	c822388
1413	C2H4O4	Formic acid dimer	fadimer
1414	C4H5NO	3-Methylisoxazole	isox3m
1415	C4H5NO	Isoxazole, 5-methyl-	c5765446
1416	C4H5NS	4-Methylthiazole	c693958
1417	C2H5NO3	Nitric acid, ethyl ester	c625581
1418	C5H6O	2H-Pyran	pyran2
1419	C5H6O	2-methylfuran	furan2m
1420	C5H6O	3-Methylfuran	furan3m
1421	C5H6O	Pentadienal	pdal
1422	C5H6S	Thiophene, 2-methyl-	c554143
1423	C5H6S	Thiophene, 3-methyl-	c616444
1424	C4H6O2	γ–Butyrolactone	c96480
1425	C4H6O2	2,3-Butanedione	c431038
1426	C4H6O2	2-Propenoic acid, methyl ester	c96333
1427	C4H6O2	Crotonic Acid	crot
1428	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1429	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1430	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1431	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1432	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1433	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1434	C4H6OS	Vinyl sulfoxide	c1115157
1435	CH6N4S	Carbonothioic dihydrazide	thiacarb
1436	C2H6N2O2	(E)-Azodioxymethane	c37765154
1437	C2H6N2O2	Dimethylnitroamine	c4164287
1438	C3H6O3	1,3,5-Trioxane	trioxane
1439	C3H6S3	1,3,5-Trithiane	c3h6s3
1440	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1441	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1442	C4H7NO	Ethoxyacetonitrile	etoaccn
1443	C4H7NO	Methacrylamide	c79390
1444	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1445	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1446	C3H7ONO	Propyl nitrite	prono
1447	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1448	NH2COOC2H5	Urethane	urethane
1449	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1450	C5H8O	Cyclopentanone	c120923
1451	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1452	C5H8O	Methyl cyclopropyl ketone	c765435
1453	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1454	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1455	NH2CONHC2H5	Urea, ethyl-	c625525
1456	C4H8O2	1,3-Dioxane	dioxan13
1457	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1458	C4H8O2	1,4-Dioxane	dioxan14
1459	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1460	C4H8O2	Ethyl acetate	c141786
1461	C4H8OS	s-Ethyl thioacetate	c625605
1462	C3H8O3	1,2,3-Propanetriol	glycerin
1463	C3H8O2S	(Methylsulfonyl)ethane	c594434
1464	C4H9NO	Butanamide	c541355
1465	C4H9NO	Propanamide, 2-methyl-	c563837
1466	C5H10O	2-Butanone, 3-methyl-	c563804
1467	C5H10O	2H-Pyran, tetrahydro-	c142687
1468	C5H10O	2-methylbutyraldehyde	2meba
1469	C5H10O	2-Pentanone	mpk
1470	C5H10O	Cyclopentanol	c96413
1471	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1472	C5H10O	Pentanal	pal
1473	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1474	C5H10S	3-Ethylthio-1-propene	c5296628
1475	C5H10S	Cyclopentanethiol	c1679078
1476	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1477	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1478	C4H10O2	1,1-Dimethoxyethane	c534156
1479	C4H10O2	1,3-Butanediol	budiol13
1480	C4H10O2	1,4-Butanediol	budiol14
1481	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1482	C4H10OS	Diethyl sulfoxide	c70291
1483	C4H10S2	1,4-Butanedithiol	budisl14
1484	C4H11NO	Diethylhydroxylamine	c3710847
1485	C5H12O	1-Butanol, 2-methyl-	c137326
1486	C5H12O	1-Butanol, 3-methyl-	c123513
1487	C5H12O	1-Pentanol	pentanol1
1488	C5H12O	2-Butanol, 3-methyl-	c598754
1489	C5H12O	2-Pentanol	peol2
1490	C5H12O	Butane, 1-methoxy-	meobu
1491	C5H12O	Propane, 1-ethoxy-	proet
1492	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1493	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1494	C5H12S	1-Butanethiol, 3-methyl-	c541311
1495	C5H12S	1-Pentanethiol	c110667
1496	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1497	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1498	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1499	C5H12S	Butane, 1-(methylthio)-	c628295
1500	C5H12S	Ethyl propyl sulfide	c4110503
1501	C5H12S	Propane, 2-(ethylthio)-	c5145993
1502	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1503	C4F2	difluorobutadiyne	c4f2
1504	ClCOClCO	Oxalyl chloride	oxcl
1505	CF3CN	Acetonitrile, trifluoro-	cf3cn
1506	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1507	B2F4	Diboron tetrafluoride	b2f4
1508	C2F4	Tetrafluoroethylene	c2f4
1509	C2F4+	Tetrafluoroethylene cation	c2f4+
1510	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1511	CF2CCl2	difluorodichloroethylene	cf2ccl2
1512	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1513	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1514	C2FCl3	fluorotrichloroethene	c2fcl3
1515	C2Br4	tetrabromoethene	c2br4
1516	SOF4	Sulfur tetrafluoride oxide	sof4
1517	AsF5	Arsenic pentafluoride	asf5
1518	PCl5	Phosphorus pentachloride	pcl5
1519	SF5	Sulfur pentafluoride	sf5
1520	SF5+	pentafluoro sulfur cation	sf5+
1521	SbCl5	Antimony pentachloride	sbcl5
1522	BrF5	bromine pentafluoride	brf5
1523	IF5	pentafluoroiodine	if5
1524	CF3CHO	trifluoroacetaldehyde	cf3cho
1525	CCl3CHO	trichloroacetaldehyde	ccl3cho
1526	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1527	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1528	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1529	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1530	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1531	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1532	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1533	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1534	CF3COOH	trifluoroacetic acid	cf3cooh
1535	C4H3ClO	Furan, 2-chloro	fur2cl
1536	C4H3ClO	Furan,3-chloro	fur3cl
1537	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1538	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1539	C4H8Cl2	1,4-Dichlorobutane	c110565
1540	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1541	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1542	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1543	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1544	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1545	C5H11Cl	Pentane, 1-chloro-	pencl1
1546	C4H8O2	Butanoic acid	bua
1547	C7H7	cycloheptatrienyl radical	c7h7
1548	C7H7+	cycloheptatrienyl cation	c7h7+
1549	C6H5CH3	toluene	toluene
1550	C7H8	cycloheptatriene	cht
1551	C7H8	Norbornadiene	norbor
1552	C7H8	Quadricyclane	qucy
1553	C7H12	Norbornane	nor
1554	C7H14	cycloheptane	c7h14
1555	C7H16	2-methylhexane	2mhex
1556	C7H16	3-methylhexane	hex3m
1557	CH(CN)3	tricyanomethane	mecn3
1558	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1559	C6H7N	2-Methylpyridine	mp
1560	C6H5NH2	aniline	aniline
1561	C6H13N	2-Methylpiperidine	pip2m
1562	C6H13N	cyclohexanamine	cham
1563	C6H15N	triethylamine	tea
1564	N2O5	Dinitrogen pentoxide	n2o5
1565	C4H2O3	Maleic Anhydride	malan
1566	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1567	C5H4O2	furfural	furfural
1568	C6H5O	phenoxy radical	phenoxy
1569	C5H5NO	2(1H)-Pyridinone	c72762006
1570	C5H5NO	2(3H)-Pyridinone	c9000048
1571	C5H5NO	2(5H)-Pyridinone	c9000037
1572	C5H5NO	2-Pyridinol	c109104
1573	C5H5NO	3(2H)-Pyridinone	c9000004
1574	C5H5NO	3(4H)-Pyridinone	c9000026
1575	C5H5NO	3(6H)-Pyridinone	c9000015
1576	C5H5NO	3-Pyridinol	c109002
1577	C5H5NO	4(1H)-Pryidinone	c9000060
1578	C5H5NO	4(3H)-Pryidinone	c9000059
1579	C5H5NO	4-Pyridinol	c626642
1580	C6H5OH	phenol	phenol
1581	C6H6O	2,4-Cyclohexadienone	c24599573
1582	C6H6O	2,5-Cyclohexadienone	c5664335
1583	C6H5SH	Benzenethiol	phsh
1584	HO2CCHNH2CH2OH	Serine	serine
1585	C5H8O2	Acetylacetone	acac
1586	C4H8O2S	Sulfolane	sulfolane
1587	C7H10	Norbornene	norbornene
1588	CH(C2H3)3	trivinyl methane	tvm
1589	C6H12O	hexanal	c6h12o
1590	C6H12O	Oxepane	oxepane
1591	C3H7OC3H7	di-n-propyl ether	propr
1592	F2CCCF2	tetrafluoroallene	pfa
1593	CF3COO-	trifluoro acetate anion	cf3coo-
1594	CF3COF	trifluoroacetyl fluoride	cf3cof
1595	CF3COCl	trifluoroacetyl chloride	cf3cocl
1596	PF6	Hexafluorophosphate neutral	pf6
1597	SeF6	Selenium hexafluoride	sef6
1598	CF3CHF2	pentafluoroethane	cf3chf2
1599	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1600	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1601	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1602	CCl3CHCl2	pentachloroethane	ccl3chcl2
1603	C6H5Cl	chlorobenzene	bzcl
1604	C6H5Br	bromobenzene	bzbr
1605	C8H6	Calicene	calicene
1606	C8H6	benzocyclobutadiene	bcbd
1607	C8H6	Pentalene	pentalene
1608	C8H8	cyclooctatetraene	cot
1609	CH3C6H4CH3	meta-xylene	mxylene
1610	CH3C6H4CH3	paraxylene	pxylene
1611	C8H14	Bicyclo[2.2.2]octane	bico222
1612	C8H16	cyclooctane	cyclooct
1613	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1614	C8H18	Octane	c8h18
1615	C6H5CN	phenyl cyanide	phcn
1616	C6H12N2	Triethylenediamine	ted
1617	C4O4--	squarate dianion	c4o4--
1618	S4N4	Tetrasulfur tetranitride	s4n4
1619	C6H4O2	parabenzoquinone	pbq
1620	C4H4N2O2	Uracil	uracil
1621	C6H5CHO	benzaldehyde	benzal
1622	C5H9NO2	Proline	proline
1623	C6H12O2	Methyl pivalate	c598981
1624	C6H12O2	Hexanoic acid	hexa
1625	C4F4	tetrafluorcyclobutadiene	c4f4
1626	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1627	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1628	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1629	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1630	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1631	C2Cl6	hexachloroethane	c2cl6
1632	IF7	Iodine heptafluoride	if7
1633	C6H4F2	metadifluorobenzene	mdfb
1634	C6H4F2	orthodifluorobenzene	odfb
1635	C6H4F2	1,4-difluorobenzene	pdfb
1636	C6H4Cl2	1,2-dichlorobenzene	dcb12
1637	C6H4Cl2	1,3-dichlorobenzene	dcb13
1638	C6H4Cl2	1,4-dichlorobenzene	dcb14
1639	C6H5NO	nitrosobenzene	bzno
1640	C9H8	Indene	indene
1641	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1642	C9H12	n-propyl benzene	prbz
1643	C9H20	Nonane	nonane
1644	C(CN)4	tetracyanomethane	c5n4
1645	C5H4N4	purine	purine
1646	C8H7N	Indole	indole
1647	C3H3N3O3	cyanuric acid	cyanuric
1648	C6H5NO2	Nitrobenzene	c6h5no2
1649	CH3COC6H5	acetophenone	acph
1650	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1651	C3F6	hexafluoropropene	c3f6
1652	C6H3F3	Benzene trifluoride 123	bzf3a
1653	C8H18O	1-Octanol	octanol
1654	C10H8	Azulene	azu
1655	C10H8	naphthalene	naph
1656	C10H10	bullvalene	bullv
1657	C10H16	adamantane	adamantane
1658	C6N4	Tetracyanoethylene	tcne
1659	C6N4-	tetracyanoethylene anion	tcne-
1660	C10H22	Decane	decane
1661	C4F6	perfluorobutadiene	c4f6
1662	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1663	C3F8	perfluoropropane	c3f8
1664	Fe(CO)5	Iron pentacarbonyl	ipc
1665	Fe(C5H5)2	ferrocene	fecp2
1666	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1667	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1668	C12H8	Acenaphthylene	acenaph
1669	C12H8	biphenylene	biph
1670	C12H10	Heptalene	heptalene
1671	C6H12O6	Inositol	inositol
1672	C6F6	hexafluorobenzene	c6f6
1673	S2F10	disulphur decafluoride	s2f10
1674	C13H10	Fluorene	fluorene
1675	C14H10	Anthracene	anth
1676	C14H10	Phenanthrene	phenanthrene
1677	C14H14	Bibenzyl	bibenzyl
1678	C12H10N2	azobenzene	azobenzene
1679	C6H5COC6H5	benzophenone	benzophenone
1680	C16H10	Pyrene	pyrene
1681	C18H12	Tetracene	tetracene
1682	C19H16	Triphenylmethane	tpm
1683	C24H12	Coronene	coronene
1684	C60	Buckminsterfullerene	c60