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

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

List of which calculations are completed at SVWN /6-31G

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count	Species	Name	State	Conformation
1	H2	Hydrogen diatomic	1Σg	D∞h
2	He	Helium atom	1S	Kh
3	Li	Lithium atom	2S	Kh
4	Li+	Lithium atom cation	1S	Kh
5	Na	Sodium atom	2S	Kh
6	Na+	Sodium atom cation	1S	Kh
7	LiH	Lithium Hydride	1Σ	C∞v
8	Be	Beryllium atom	1S	Kh
9	Be+	Beryllium atom cation	2S	Kh
10	Mg	Magnesium atom	1S	Kh
11	Mg+	Magnesium atom cation	2S	Kh
12	B	Boron atom	2P	Kh
13	B	Boron atom	4P	Kh
14	B+	Boron atom cation	1S	Kh
15	Al	Aluminum atom	2P	Kh
16	Al+	Aluminum atom cation	1S	Kh
17	C	Carbon atom	3P0	Kh
18	C	Carbon atom	3P1	Kh
19	C+	Carbon atom cation	2P	Kh
20	Si	Silicon atom	3P	Kh
21	Si	Silicon atom	1S	Kh
22	Si+	Silicon atom cation	2P	Kh
23	CH4	Methane	1A1	Td
24	CH4-	Methane anion	2A1	Td
25	CH4-	Methane anion	2A1	C3v
26	CH4+	Methane cation	2B1	C2v
27	CH4+	Methane cation	2T2	Td
28	CH4+	Methane cation	2B2	D2d
29	N	Nitrogen atom	4S	Kh
30	N	Nitrogen atom	2D	Kh
31	N+	Nitrogen atom cation	3P	Kh
32	P	Phosphorus atom	4S	Kh
33	NH3	Ammonia	1A1	C3v
34	O	Oxygen atom	3S	Kh
35	O+	Oxygen atom cation	4S	Kh
36	S	Sulfur atom	3P	Kh
37	OH	Hydroxyl radical	2Π	C∞v
38	H2O	Water	1A1	C2v
39	F	Fluorine atom	2P	Kh
40	F+	Fluorine atom cation	3S	Kh
41	Cl	Chlorine atom	2P	Kh
42	Cl+	Chlorine atom cation	3P	Kh
43	HF	Hydrogen fluoride	1Σ	C∞v
44	HCl	Hydrogen chloride	1Σ	C∞v
45	Ne	Neon atom	1S	Kh
46	Ne+	Neon atom cation	2P	Kh
47	Ar	Argon atom	1S	Kh
48	Na2	Sodium diatomic	1Σg	D∞h
49	C2H2	Acetylene	1Σg	D∞h
50	C2H2+	acetylene cation	2Πu	D∞h
51	C2H4	Ethylene	1Ag	D2h
52	C2H4-	Ethylene anion	2B2g	D2h
53	C2H4-	Ethylene anion	2Ag	C2h
54	C2H4+	Ethylene cation	2B3u	D2h
55	C2H4+	Ethylene cation	2B3	D2
56	C2H6	Ethane	1A1g	D3d
57	C2H6	Ethane	1A1'	D3h
58	C2H6+	ethane cation	2Bg	C2h
59	C2H6+	ethane cation	2Ag	Ci
60	N2	Nitrogen diatomic	1Σg	D∞h
61	HCN	Hydrogen cyanide	1Σ	C∞v
62	HCN-	Hydrogen cyanide anion	2A'	Cs
63	N2H4	Hydrazine	1A	C2
64	N2H4+	hydrazine cation	2AG	C2h
65	CH3NH2	methyl amine	1A'	Cs
66	CH3NH2+	methyl amine cation	2A'	Cs
67	NH3NH3	Ammonia Dimer	1Ag	C2h
68	NH3NH3	Ammonia Dimer	1A'	Cs
69	CO	Carbon monoxide	1Σ	C∞v
70	NO	Nitric oxide	2Π	C∞v
71	O2	Oxygen diatomic	3Σg	D∞h
72	H2CO	Formaldehyde	1A1	C2v
73	H2CO-	formaldehyde anion	2A'	Cs
74	H2CO+	formaldehyde cation	2B2	C2v
75	CH3OH	Methyl alcohol	1A'	Cs
76	CH3OH-	Methyl alcohol anion	2A'	Cs
77	CH3OH-	Methyl alcohol anion	2A'	CS eclipsed
78	CH3OH+	Methyl alcohol cation	2A	C1
79	CH3SH	Methanethiol	1A'	Cs
80	CH3SH+	Methanethiol cation	2A"	Cs
81	CH3SeH	Methane selenol	1A'	Cs
82	H2ONH3	Water Ammonia Dimer	1A'	C1
83	BF	Boron monofluoride	1Σ	C∞v
84	AlCl	Aluminum monochloride	1Σ	C∞v
85	F2	Fluorine diatomic	1Σg	D∞h
86	Cl2	Chlorine diatomic	1Σg	D∞h
87	CH3Cl	Methyl chloride	1A1	C3v
88	CH3Br	methyl bromide	1A1	C3v
89	CH3CCH	propyne	1A'	C3v
90	C3H5	Allyl radical	2A2	C2v
91	C3H6	Cyclopropane	1A1'	D3h
92	CH2CHCH3	Propene	1A'	Cs
93	C3H8	Propane	1A1	C2v
94	NaCN	Sodium Cyanide	1Σ	C∞v
95	NaCN	Sodium Cyanide	1A	Cs
96	NaCN	Sodium Cyanide	1Σ	C∞v
97	KCN	Potassium cyanide	1Σ	C∞v
98	KCN	Potassium cyanide	1Σ	C∞v
99	HNCNH	diiminomethane	1A	C2
100	CH2N2	diazirine	1A1	C2v
101	CH2NN	diazomethane	1A1	C2v
102	CH3CN	Acetonitrile	1A1	C3v
103	CH3CN-	acetonitrile anion	2E	C3v
104	CH3CN+	Acetonitrile cation	2E	C3v
105	CH3CN+	Acetonitrile cation	2A"	Cs
106	CHNCH2	2H-Azirine
107	CHNHCH	1H-Azirine
108	NHCHNH2	aminomethanimine	1A	C1
109	C2H5N	Aziridine	1A'	C1
110	CH3CH2NH2	Ethylamine	1A'	Cs
111	CH3NHCH3	Dimethylamine	1A'	Cs
112	CO2	Carbon dioxide	1Σg	D∞h
113	CO2-	Carbon dioxide anion	2A1	C2v
114	CO2+	Carbon dioxide cation	2Πg	D∞h
115	CO2+	Carbon dioxide cation	2Π	C∞v
116	CS2	Carbon disulfide	1Σg	D∞h
117	CS2-	Carbon disulfide anion	2A1	C2v
118	SO2	Sulfur dioxide	1A1	C2v
119	HNCO	Isocyanic acid	1A'	Cs
120	CH2O2	Dioxirane	1A1	C2v
121	HCOOH	Formic acid	1A'	Cs
122	NaOCH3	Sodium methoxide	1A1	C3v
123	CH2NOH	formaldoxime	1A'	Cs
124	CHONH2	formamide	1A'	Planar
125	CHONH2	formamide	1A	Non-Planar
126	C2H4O	Ethylene oxide	1A1	C2v
127	CH3CHO	Acetaldehyde	1A'	Cs
128	H2OH2CO	water formaldehyde dimer	1A	C1
129	CH3CH2OH	Ethanol	1A'	Cs
130	CH3OCH3	Dimethyl ether	1A1	C2v
131	CH3CH2SH	ethanethiol	1A'	Cs
132	CH3CH2SH	ethanethiol	1A	C1
133	CH3SCH3	Dimethyl sulfide	1A1	C2v
134	H2OCH3OH	water methanol dimer	1A	C1
135	CH2F2	Methane, difluoro-	1A1	C2v
136	CH2Cl2	Methylene chloride	1A1	C2v
137	CH2BrF	Methane, bromofluoro-	1A'	Cs
138	CH2BrCl	Methane, bromochloro-	1A'	Cs
139	CH2Br2	dibromomethane	1A1	C2v
140	CH2CHF	Ethene, fluoro-	1A'	Cs
141	C2H3Cl	Ethene, chloro-	1A'	Cs
142	C2H5F	fluoroethane	1A'	Cs
143	CH3CH2Cl	Ethyl chloride	1A'	Cs
144	C2H5Br	Ethyl bromide	1A'	Cs
145	CH2CHCHCH2	1,3-Butadiene	1Ag	C2h
146	CH2CHCHCH2	1,3-Butadiene	1A	C2
147	CHCCH2CH3	1-Butyne	1A'	Cs
148	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
149	CH2CHCH2CH3	1-Butene	1A	C1
150	CH3CH(CH3)CH3	Isobutane	1A1	C3v
151	CH3CH2CH2CH3	Butane	1Ag	Anti
152	CH3CH2CH2CH3	Butane	1A	Gauche
153	C3H3N	acrylonitrile	1A'	Cs
154	C3H3N+	acrylonitrile cation	2A"	Cs
155	CH5N3	Guanidine	1A	C1
156	C4H6	Bicyclo[1.1.0]butane	1A1	C2v
157	C4H8	cyclobutane	1A1	D2d
158	C2H8N2	Ethylenediamine	1Ag	C2h
159	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
160	N(CH3)3	Trimethylamine	1A1	C3v
161	NH2CH2CH2CH3	1-Propanamine	1A'	Cs
162	HCO3-	bicarbonate anion
163	C2H2O2	Ethanedial	1Ag	C2h
164	CH3COO-	acetate anion	1A'	eclipsed
165	CH3NO2	Methane, nitro-	1A'	Cs
166	C3H4O	2-Propyn-1-ol	1A'	Cs
167	CH2CHCHO	Acrolein	1A'	Cs
168	NH2CONH2	Urea	1A	C2
169	NH2CONH2	Urea	1A'	Cs
170	NH2CONH2	Urea	1A1	C2v
171	NH2CSNH2	Thiourea	1A	C2
172	CH3COOH	Acetic acid	1A'	Cs
173	CH3OCHO	methyl formate	1A'	Cs
174	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
175	H2OHCOOH	Water formic acid dimer 1	1A	C1
176	H2OHCOOH	Water formic acid dimer 2	1A	C1
177	HCOOHH2O	Formic acid water dimer	1A	C1
178	CH3CHNOH	Acetaldoxime	1A'	CS trans
179	CH3CHNOH	Acetaldoxime	1A'	CS cis
180	CH3CONH2	Acetamide	1A'	C1
181	HCONHCH3	N-methylformamide	1A'	CS cis
182	HCONHCH3	N-methylformamide	1A'	CS trans
183	C3H6O	2-Propen-1-ol	1A	C1
184	C3H6O	Propylene oxide	1A	C1
185	CH3CH2CHO	Propanal	1A'	Cs
186	CH3COCH3	Acetone	1A1	C2v
187	CH3COCH3-	acetone anion	2A'	Cs
188	C3H6S	Thietane	1A'	Cs
189	C2H6O2	1,2-Ethanediol	1Ag	C2h
190	HOCH2CH2NH2	monoethanolamine	1A	C1 OH in
191	C3H7OH	1-Propanol	1A'	Cs
192	CH3CHOHCH3	Isopropyl alcohol	1A	C1
193	C3H7SH	1-Propanethiol	1A'	Cs
194	CH3CHSHCH3	2-Propanethiol	1A'	Cs
195	H2OCH3OCH3	water dimethylether dimer	1A	C1
196	CF2O	Carbonic difluoride	1A1	C2v
197	COFCl	Carbonic chloride fluoride	1A'	Cs
198	CCl2O	Phosgene	1A1	C2v
199	BF3	Borane, trifluoro-	1A'	D3h
200	AlF3	Aluminum trifluoride	1A1'	D3h
201	CHF3	Methane, trifluoro-	1A1	C3v
202	CHF2Cl	difluorochloromethane	1A'	Cs
203	CHFCl2	fluorodichloromethane	1A'	Cs
204	CHCl3	Chloroform	1A1	C3v
205	CHBrCl2	Methane, bromodichloro-	1A'	Cs
206	CHClBr2	Methane, dibromochloro-	1A'	Cs
207	CHBr3	bromoform	1A1	C3v
208	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
209	CH2CCl2	Ethene, 1,1-dichloro-	1A1	C2v
210	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1Ag	C2h
211	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1A1	C2v
212	CH2ClCHO	chloroacetaldehyde	1A	C1 bisecting, trans
213	CH2ClCHO	chloroacetaldehyde	1A'	CS eclipsed, cis
214	CH3COCl	Acetyl Chloride	1A'	Cs
215	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
216	CH2ClCH2Cl	Ethane, 1,2-dichloro-	1Ag	C2h
217	CH2ClCH2Cl	Ethane, 1,2-dichloro-	1A	C2
218	CH3CHCl2	Ethane, 1,1-dichloro-	1A'	Cs
219	CH2BrCH2Br	Ethane, 1,2-dibromo-	1Ag	C2h
220	C3H5Cl	1-Propene, 3-chloro-	1A	C1
221	CH2ClCH2OH	2-Chloroethanol	1A'	Cs
222	CH3CHClCH3	Propane, 2-chloro-	1A'	Cs
223	CH3CH2CH2Br	n-propyl bromide	1A'	Cs
224	CH3CHBrCH3	i-propyl bromide	1A'	Cs
225	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
226	C5H8	1,3-Butadiene, 2-methyl-	1A'	Cs
227	C5H8	Cyclopentene	1A'	Cs
228	C5H10	Cyclopentane	1A	C1
229	CH2CHCH2CH2CH3	1-pentene	1A	C1
230	CH2CHCH2CH2CH3	1-pentene	1A	C1
231	C5H12	Butane, 2-methyl-	1A	C1
232	C5H12	Pentane	1A1	C2v
233	Si(CH3)4	tetramethylsilane	1A1	Td
234	C3H2N2	Malononitrile	1A1	Cs
235	CH2N4	1H-Tetrazole	1A'	Cs
236	C3H4N2	1H-Imidazole	1A'	Cs
237	C3H4N2	1H-Pyrazole	1A'	Cs
238	C4H5N	Pyrrole	1A1	C2v
239	C3H6N2	3-Aminopropionitrile	1A'	Cs
240	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	1A'	Cs
241	CH3CH2CH2CN	Butanenitrile	1A'	Cs
242	C5H8	Bicyclo[2.1.0]pentane	1A'	Cs
243	C5H8	Spiropentane	1A1	D2d
244	C4H9N	Pyrrolidine	1A'	Cs
245	C3H10N2	1,2-Diaminopropane	1A	C1
246	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	1A	C1
247	C(NH2)H2CH2CH2CH3	1-Butanamine	1A'	Cs
248	NH(C2H5)2	diethylamine	1A'	Cs
249	NC4H12+	tetramethyl ammonium cation	1A1	Td
250	CHOCOOH	oxo acetic acid	1A'	Cs
251	C3H3NO	Isoxazole	1A'	Cs
252	C3H3NO	Oxazole	1A'	Cs
253	C4H4O	Furan	1A1	C2
254	C4H4S	Thiophene	1A1	C2v
255	C3H4O2	β–Propiolactone	1A'	Cs
256	C3H4O2	2-Propenoic acid	1A'	Cs
257	C3H4O2	Methyl glyoxal	1A'	Cs
258	HOCH2COOH	Hydroxyacetic acid	1A	Cs
259	CH2CHCONH2	Acrylamide	1A	Cs
260	CH5N3S	Hydrazinecarbothioamide	1A	C1
261	H2NCH2COOH	Glycine	1A'	Cs
262	CH2CHOCHCH2	Vinyl ether	1A1	C2v
263	CH2CHOCHCH2	Vinyl ether	1A	C1
264	CH3CH2COOH	Propanoic Acid	1A'	Cs
265	CH3COOCH3	methyl acetate	1A'	Cs
266	C2H6O2S	Dimethyl sulfone	1A1	C2v
267	C3H7NO	dimethylformamide	1A'	Cs
268	C3H7NO	Propanamide	1A'	C1
269	C2H3OC2H5	Ethene, ethoxy-	1A	C1
270	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	1A	C1
271	CH3COCH2CH3	2-Butanone	1A	C1
272	CHOCH(CH3)CH3	Propanal, 2-methyl-	1A'	Cs
273	CHOCH2CH2CH3	Butanal	1A'	Cs
274	C4H8S	Thiophene, tetrahydro-	1A	C1
275	C3H8O2	Propylene glycol	1A	C1
276	C3H8S2	1,3-Propanedithiol	1A1	C1
277	C4H10O	1-Butanol	1A'	Cs
278	C4H10O	1-Propanol, 2-methyl-	1A	C1
279	C4H10O	Ethanol, 1,1-dimethyl-	1A	C1
280	C4H10O	Ethoxy ethane	1A1	C2v
281	C2H5SC2H5	Diethyl sulfide	1A1	C2v
282	CF4	Carbon tetrafluoride	1A1	Td
283	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
284	CF2Cl2	difluorodichloromethane	1A1	C2v
285	CFCl3	Trichloromonofluoromethane	1A1	C3v
286	CF3Br	Bromotrifluoromethane	1A1	C3v
287	CCl4	Carbon tetrachloride	1A1	Td
288	CBrClF2	Methane, bromochlorodifluoro-	1A'	Cs
289	CBrCl3	Methane, bromotrichloro-	1A1	C3v
290	CBr2F2	Methane, dibromodifluoro-	1A'	C2v
291	CFBr3	fluorotribromomethane	1A1	C3v
292	C2HF3	Trifluoroethylene	1A'	Cs
293	C2HF3+	Trifluoroethylene cation	2A"	Cs
294	CHClCCl2	Trichloroethylene	1A'	Cs
295	CHCl2CHO	dichloroacetaldehyde	1A	C1
296	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	1A'	Cs
297	CH2ClCHCl2	1,1,2-trichloroethane	1A	C1
298	CH3CCl3	Ethane, 1,1,1-trichloro-	1A1	C3v
299	SiCl3CH3	methyltrichlorosilane	1A1	C3v
300	C3H5ClO	Oxirane, (chloromethyl)-	1A	C1
301	CH2ClCHClCH3	Propane, 1,2-dichloro-	1A	C1
302	CH2ClCH2CH2CH3	Butane, 1-chloro-	1A'	Cs
303	CH3CHClCH2CH3	Butane, 2-chloro-	1A	C1
304	C6H6	Benzene	1A1g	D6h
305	C6H10	cyclohexene	1A	C2
306	C6H12	Cyclohexane	1A1g	Chair
307	C6H12	Cyclohexane	1A	twist boat
308	C6H12	Cyclopentane, methyl-	1A	C1
309	C6H14	Butane, 2,2-dimethyl-	1A'	C1
310	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
311	C6H14	Hexane	1Ag	C2h
312	C6H14	Pentane, 2-methyl-	1A	C1
313	C6H14	Pentane, 3-methyl-	1A'	Cs
314	C2H2N4	sym-tetrazine	1Ag	D2h
315	C4H4N2	1,3-Diazine	1A1	C2v
316	C4H4N2	Pyrazine	1Ag	D2h
317	C4H4N2	Pyridazine	1A1	C2v
318	C4H4N2	Succinonitrile	1Ag	C2h
319	C5H5N	Pyridine	1A1	C2v
320	C5H7N	1H-Pyrrole, 1-methyl-	1A	C1
321	C5H9N	Pentanenitrile	1A'	Cs
322	C6H10	Bicyclo[3.1.0]hexane	1A'	Cs
323	C2H2O4	Oxalic Acid	1Ag	C2h
324	C2H4N2S2	Ethanedithioamide	1AG	C2h
325	C2H4CO3	Ethylene carbonate	1A1	C2v
326	C2H4CO3	Ethylene carbonate	1A	C2
327	C4H6O2	2-Propenoic acid, methyl ester	1A	C1
328	C4H6O2	Crotonic Acid	1A'	Cs
329	C3H6O3	1,3,5-Trioxane	1A1	C1
330	C3H6S3	1,3,5-Trithiane	1A1	C3v
331	C4H7NO	Methacrylamide	1A	C1
332	HCONH2CN2H4	formamide aminomethanimine dimer	1A	C1
333	CH3CH(NH2)COOH	Alanine	1A	C1
334	CH3NHCH2COOH	Sarcosine	1A	C1
335	NH2CH2CH2COOH	β–alanine	1A	C1
336	NH2COOC2H5	Urethane	1A	C1
337	C5H8O	2H-Pyran, 3,4-dihydro-	1A	C1
338	C5H8O	Cyclopentanone	1A	C2
339	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	1A	C2
340	C4H8O2	1,4-Dioxane	1Ag	C2h
341	C3H8O3	1,2,3-Propanetriol	1A	C1
342	C5H10O	2H-Pyran, tetrahydro-	1A'	C1
343	C5H10O	2-methylbutyraldehyde	1A	C1
344	C5H10O	2-Pentanone	1A	C1
345	C5H10O	Cyclopentanol	1A	C1
346	C5H10O	Pentanal	1A'	C1
347	C4H10O2	1,3-Butanediol	1A	C1
348	C4H10O2	1,4-Butanediol	1Ag	C2h
349	C4H10O2	Ethane, 1,2-dimethoxy-	1Ag	C2h
350	C4H10OS	Diethyl sulfoxide	1A	C1
351	C5H12O	1-Butanol, 2-methyl-	1A	C1
352	C5H12O	1-Butanol, 3-methyl-	1A'	Cs
353	C5H12O	1-Pentanol	1A'	Cs
354	C5H12S	1-Pentanethiol	1A'	C1
355	ClCOClCO	Oxalyl chloride	1AG	C2h
356	CF3CN	Acetonitrile, trifluoro-	1A1	C3v
357	C2F4	Tetrafluoroethylene	1Ag	D2h
358	CF2CCl2	difluorodichloroethylene	1A1	C2v
359	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	1AG	C2h
360	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	1A1	C2v
361	C2Cl4	Tetrachloroethylene	1Ag	D2h
362	CF3OF	Trifluoromethylhypofluorite	1A'	Cs
363	CF3CHO	trifluoroacetaldehyde	1A'	Cs
364	CCl3CHO	trichloroacetaldehyde	1A'	Cs
365	CHF2CHF2	1,1,2,2-tetrafluoroethane	1AG	C2h
366	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	1A'	Cs
367	CF3COOH	trifluoroacetic acid	1A'	Cs
368	C3H5Cl3	Propane, 1,2,3-trichloro-	1A'	Cs
369	C4H8Cl2	1,4-Dichlorobutane	1Ag	C2h
370	C6H5CH3	toluene	1A'	Cs
371	C7H8	Norbornadiene	1A1	C2v
372	C7H12	Norbornane	1A1	C2v
373	C7H14	cycloheptane	1A	C2
374	C7H16	heptane	1A1	C2v
375	C6H5NH2	aniline	1A'	Cs
376	C6H13N	cyclohexanamine	1A	C1
377	C6H15N	triethylamine	1A	C3
378	C4H2O3	Maleic Anhydride	1A1	C2v
379	C5H5NO	2-Pyridinol	1A'	Cs
380	C5H5NO	3-Pyridinol	1A'	Cs
381	C6H5OH	phenol	1A'	Cs
382	HO2CCHNH2CH2OH	Serine	1A	C1
383	C5H8O2	Acetylacetone	1A	C2
384	C6H10O	cyclohexanone	1A'	Cs
385	C3H7OC3H7	di-n-propyl ether	1A1	C2v
386	C3H7OC3H7	di-n-propyl ether	1A	C2
387	CF3COF	trifluoroacetyl fluoride	1A'	Cs
388	CF3CHF2	pentafluoroethane	1A'	Cs
389	C6H5Cl	chlorobenzene	1A1	C2v
390	C6H5Br	bromobenzene	1A1	C2v
391	C8H6	Pentalene	1Ag	C2h
392	C6H5CHCH2	Styrene	1A'	Cs
393	C8H8	cubane	1A1G	Oh
394	C6H5CH2CH3	Ethylbenzene	1A'	Cs
395	C8H14	Bicyclo[2.2.2]octane	1A1'	D3h
396	C8H14	Bicyclo[2.2.2]octane	1A1	D3
397	C8H18	Octane	1AG	C2h
398	C6H5CN	phenyl cyanide	1A1	C2v
399	C6H12N2	Triethylenediamine	1A1'	D3h
400	C6H4O2	parabenzoquinone	1Ag	D2h
401	C6H5CHO	benzaldehyde	1A'	Cs
402	C6H5OCH3	Anisole	1A'	Cs
403	C5H9NO2	Proline	1A	C1
404	C6H12O2	Hexanoic acid	1A1	Cs
405	CF3CF2Cl	pentafluorochloroethane	1A'	Cs
406	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	1Ag	C2h
407	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	1A	C1
408	C2F6	hexafluoroethane	1A1g	D3d
409	C6H4F2	orthodifluorobenzene	1A1	C2v
410	C6H4Cl2	1,2-dichlorobenzene	1A1	C2v
411	C9H8	Indene	1A'	Cs
412	C9H12	n-propyl benzene	1A'	Cs
413	C9H20	Nonane	1A1	C2v
414	C5H4N4	purine	1A	Cs
415	C3H3N3O3	cyanuric acid	1A1'	D3h
416	C6H5NO2	Nitrobenzene	1A1	C2v
417	C6H5COOH	benzoic acid	1A'	Cs
418	CH3COC6H5	acetophenone	1A	C1
419	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	1A1'	D3h
420	C10H8	Azulene	1A1	C2v
421	C10H8	naphthalene	1Ag	D2h
422	C10H16	adamantane	1A1	Td
423	C10H22	Decane	1AG	C2h
424	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	1A'	Cs
425	C3F8	perfluoropropane	1A1	C2v
426	C12H8	biphenylene	1Ag	D2h
427	C12H10	biphenyl	1A	D2
428	C12H10	Heptalene	1A	C2
429	C6H12O6	Inositol	1A1G	D3d
430	C6F6	hexafluorobenzene	1A1G	D6h
431	C14H10	Anthracene	1Ag	D2h
432	C12H10N2	azobenzene	1AG	C2h
433	C16H10	Pyrene	1Ag	D2h
434	C24H12	Coronene	1A1G	D6h

Species NOT done yet

count	Species	Name	file name	problem
1	D	Deuterium atom	d
2	D-	Deuterium atom anion	d-
3	D+	Deuterium atom cation	d+
4	H	Hydrogen atom	h
5	H-	Hydrogen atom anion	h-
6	H+	Hydrogen atom cation	h+
7	D2	Deuterium diatomic	d2
8	H2-	hydrogen diatomic anion	h2-
9	H2+	Hydrogen cation	h2+
10	HD	Deuterium hydride	hd
11	H3+	hydrogen trimer cation	h3+
12	He-	Helium atom anion	he-
13	He+	Helium atom cation	he+
14	HeH	Helium hydride	heh
15	HeH+	Helium hydride cation	heh+
16	He2+	helium diatomic cation	he2+
17	Li-	Lithium atom anion	li-
18	Na-	Sodium atom anion	na-
19	K	Potassium atom	k
20	K-	Potassium atom anion	k-
21	K+	Potassium atom cation	k+
22	Cu	Copper atom	cu
23	Cu-	Copper atom anion	cu-
24	Cu+	Copper atom cation	cu+
25	LiH-	lithium hydride anion	lih-
26	LiH+	lithium hydride cation	lih+
27	NaH	sodium hydride	nah
28	NaH-	sodium hydride anion	nah-
29	NaH+	sodium hydride cation	nah+
30	KH	Potassium hydride	kh
31	KH+	Potassium hydrogen cation	kh+
32	CuH	Copper monohydride	cuh
33	Be-	Beryllium atom anion	be-
34	Mg-	Magnesium atom anion	mg-
35	Ca	Calcium atom	ca
36	Ca-	Calcium atom anion	ca-
37	Ca+	Calcium atom cation	ca+
38	Zn	Zinc atom	zn
39	Zn-	Zinc atom anion	zn-
40	Zn+	Zinc atom cation	zn+
41	BeH	beryllium monohydride	beh
42	BeH-	berylium monohydride anion	beh-
43	BeH+	beryllium monohydride cation	beh+
44	MgH	magnesium monohydride	mgh
45	MgH-	magnesium monohydride anion	mgh-
46	MgH+	magnesium monohydride cation	mgh+
47	CaH	Calcium monohydride	cah
48	CaH+	Calcium monohydride cation	cah+
49	TiH	Titanium monohydride	tih
50	ZnH	Zinc monohydride	znh
51	ZnH+	Zinc, protonated	znh+
52	BeH2	beryllium dihydride	beh2
53	BeH2+	Beryllium dihydride cation	beh2+
54	MgH2	magnesium dihydride	mgh2
55	CaH2	Calcium Hydride	cah2
56	ZnH2	Zinc hydride	znh2
57	B-	Boron atom anion	b-
58	Al-	Aluminum atom anion	al-
59	Sc	Scandium atom	sc
60	Sc+	Scandium cation	sc+
61	Ga	Gallium atom	ga
62	Ga-	Gallium atom anion	ga-
63	Ga+	Gallium atom cation	ga+
64	BH	Boron monohydride	bh
65	BH-	boron monohydride anion	bh-
66	BH+	boron monohydride cation	bh+
67	AlH	aluminum monohydride	alh
68	AlH-	aluminum monohydride anion	alh-
69	AlH+	aluminum monohydride cation	alh+
70	ScH	Scandium monohydride	sch
71	ScH+	Scandium monohydride cation	sch+
72	GaH	Gallium monohydride	gah
73	GaH+	Gallium monohydride cation	gah+
74	BH2	boron dihydride	bh2
75	BH2-	boron dihydride anion	bh2-
76	BH2+	Boron dihydride cation	bh2+
77	AlH2	aluminum dihydride	alh2
78	AlH2-	aluminum dihydride anion	alh2-
79	AlH2+	aluminum dihydride cation	alh2+
80	BH3	boron trihydride	bh3
81	BH3-	boron trihydride anion	bh3-
82	BH3+	boron trihydride cation	bh3+
83	AlH3	aluminum trihydride	alh3
84	AlH3-	aluminum trihydride anion	alh3-
85	AlH3+	aluminum trihydride cation	alh3+
86	ScH3	Scandium trihydride	sch3
87	GaH3	Gallium trihydride	gah3
88	BH4	borohydride	bh4
89	BH4-	borohydride anion	bh4-
90	AlH4-	Aluminum tetrahydride anion	alh4-
91	C-	Carbon atom anion	c-
92	Si-	Silicon atom anion	si-
93	Ti	Titanium atom	ti
94	Ti-	Titanium atom anion	ti-
95	Ti+	Titanium atom cation	ti+
96	Ge	Germanium atom	ge
97	Ge-	Germanium anion	ge-
98	Ge+	Germanium cation	ge+
99	Sn	Tin atom	sn
100	Sn+	Tin cation	sn+
101	CH	Methylidyne	ch
102	CH-	methylidyne anion	ch-
103	CH+	Methylidyne cation	ch+
104	SiH	Silylidyne	sih
105	SiH-	silicon monohydride anion	sih-
106	SiH+	silicon monohydride cation	sih+
107	GeH	germylidene	geh
108	GeH+	Germaniun monohyrdide cation	geh+
109	CH2	Methylene	ch2
110	CH2-	methylene anion	ch2-
111	CH2+	methylene cation	ch2+
112	SiH2	silicon dihydride	sih2
113	SiH2-	silicon dihydride anion	sih2-
114	SiH2+	silicon dihydride cation	sih2+
115	GeH2	germylene	geh2
116	GeH2-	germylene anion	geh2-
117	CH3	Methyl radical	ch3
118	CH3-	methyl anion	ch3-
119	CH3+	methyl cation	ch3+
120	SiH3	Silyl radical	sih3
121	SiH3-	Silyl anion	sih3-
122	SiH3+	Silyl cation	sih3+
123	GeH3	Germyl radical	geh3
124	GeH3+	germyl cation	geh3+
125	CD4	methane-d4	cd4
126	CH2D2	methane-d2	ch2d2
127	CH3D	methane-d	ch3d
128	CHD3	methane-d3	chd3
129	SiH2D2	silane-d2	sih2d2
130	SiH4	Silane	sih4
131	SiH4+	Silane cation	sih4+
132	GeH4	Germane	geh4
133	SnH4	Stannane	snh4
134	SiH5+	Silane, protonated	sih5+
135	N-	Nitrogen atom anion	n-
136	P-	Phosphorus atom anion	p-
137	P+	Phosphorus atom cation	p+
138	V	Vanadium atom	v
139	V+	Vanadium atom cation	v+
140	As	Arsenic atomic	as
141	As-	Arsenic anion	as-
142	As+	Arsenic cation	as+
143	Sb	Antimony atom	sb
144	NH	Imidogen	nh
145	NH-	Imidogen anion	nh-
146	NH+	imidogen cation	nh+
147	PH	phosphorus monohydride	ph
148	PH-	phosphorus monohydride anion	ph-
149	PH+	phosphorus monohydride cation	ph+
150	AsH	Arsenic monohydride	ash
151	AsH+	Arsenic monohydride cation	ash+
152	SbH	Antimony monohydride	sbh
153	ND2	Amidogen-d2	nd2
154	NH2	Amino radical	nh2
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	PH3+	Phosphine cation	ph3+
167	AsH3	Arsine	ash3
168	AsH3+	Arsine cation	ash3+
169	SbH3	Stibine	sbh3
170	AsH4+	Arsonium	ash4+
171	NH4	Ammonium radical	nh4
172	NH4+	ammonium cation	nh4+
173	PH4	Phosphoranyl radical	ph4
174	PH4+	phosphonium cation	ph4+
175	O-	Oxygen atom anion	o-
176	S-	Sulfur atom anion	s-
177	S+	Sulfur atom cation	s+
178	Cr	Chromium atom	cr
179	Se	Selenium atom	se
180	Se-	Selenium atom anion	se-
181	Se+	Selenium atom cation	se+
182	Te	Tellurium atom	te
183	Te+	Tellurium atom cation	te+
184	DO	Hydroxyl-d	od
185	OH-	hydroxide anion	oh-
186	OH+	hydoxyl cation	oh+
187	DS	Mercapto-d	ds
188	HS	Mercapto radical	hs
189	HS-	mercapto anion	sh-
190	HS+	sulfur monohydride cation	sh+
191	CrH	Chromium hydride	crh
192	CrH+	Chromium hydride cation	crh+
193	HSe	Selenium monohydride	hse
194	HSe-	selenium monohydride anion	hse-
195	HSe+	selenium monohydride cation	hse+
196	TeH	Telluryl radical	teh
197	D2O	Deuterium oxide	d2o
198	H2O-	water anion	h2o-
199	H2O+	water cation	h2o+
200	HDO	Water-d1	hdo
201	D2S	Hydrogen sulfide-d2	d2s
202	H2S	Hydrogen sulfide	h2s
203	H2S-	Hydrogen sulfide anion	h2s-
204	H2S+	Hydrogen sulfide cation	h2s+
205	H2Se	Hydrogen selenide	h2se
206	H2Se+	Hydrogen selenide cation	h2se+
207	H2Te	Hydrogen Telluride	h2te
208	H3O+	hydronium cation	h3o+
209	H3S+	Sulfonium cation	h3s+
210	H3Se+	Hydrogen Selenide, protonated	h3se+
211	F-	Fluorine atom anion	f-
212	Cl-	Chlorine atom anion	cl-
213	Mn	Manganese atom	mn
214	Br	Bromine atom	br
215	Br-	Bromine atom anion	br-
216	Br+	Bromine atom cation	br+
217	I	Iodine atom	iodine
218	I-	Iodine atom anion	iodine-
219	I+	Iodine atom cation	iodine+
220	DF	Hydrofluoric acid-d	df
221	HF-	hydrogen fluoride anion	hf-
222	HF+	hydrogen fluoride cation	hf+
223	DCl	Hydrochloric acid-d	dcl
224	HCl-	hydrogen chloride anion	hcl-
225	HCl+	hydrogen chloride cation	hcl+
226	HBr	hydrogen bromide	hbr
227	HBr-	hydrogen bromide anion	hbr-
228	HBr+	hydrogen bromide cation	hbr+
229	HI	Hydrogen iodide	hi
230	HI+	Hydrogen iodide cation	hi+
231	H2F+	dihydrogen fluoride cation	h2f+
232	H2Cl+	dihydrogen monochloride cation	h2cl+
233	H2Br+	protonated hydrogen bromide	h2br+
234	H2I+	Iodonium	h2i+
235	Ne-	Neon atom anion	ne-
236	Ar-	Argon atom anion	ar-
237	Ar+	Argon atom cation	ar+
238	Fe	Iron atom	fe
239	Kr	Krypton atom	kr
240	Kr+	Krypton cation	kr+
241	Xe	Xenon atom	xe
242	HeLi+	Helium Lithium cation	heli+
243	NeH	neon hydrogen	neh
244	NeH+	neon hydrogen cation	neh+
245	ArH+	Argon hydride cation	arh+
246	KrH+	Protonated Krypton	krh+
247	XeH+	Xenon, protonated	xeh+
248	H2Ar	H2 Ar dimer	h2ar
249	Co	Cobalt atom	cobalt
250	Ni	Nickel atom	ni
251	Li2	Lithium diatomic	li2
252	Li2-	lithium diatomic anion	li2-
253	Li2+	lithium diatomic cation	li2+
254	NaLi	lithium sodium	lina
255	NaLi-	lithium sodium anion	lina-
256	NaLi+	lithium sodium cation	lina+
257	LiK	Lithium Potassium	lik
258	Na2-	sodium diatomic anion	na2-
259	Na2+	sodium diatomic cation	na2+
260	NaK	Sodium Potassium	nak
261	NaK+	Sodium Potassium diatomic cation	nak+
262	K2	Potassium diatomic	k2
263	Cu2	Copper diatomic	cu2
264	LiBe	Lithium Beryllium	libe
265	LiMg	Lithium magnesium	limg
266	NaBe	Sodium Beryllium	nabe
267	NaMg	Sodium Magnesium	namg
268	Be2	Beryllium diatomic	be2
269	Be2-	Beryllium diatomic anion	be2-
270	Be2+	Beryllium diatomic cation	be2+
271	BeMg	Beryllium Magnesium	bemg
272	Mg2	Magnesium diatomic	mg2
273	Mg2-	magnesium diatomic anion	mg2-
274	Mg2+	magnesium diatomic cation	mg2+
275	Ca2	Calcium diatomic	ca2
276	LiB	Lithium boride	lib
277	LiAl	Lithium Aluminum	lial
278	NaAl	Sodium aluminum	naal
279	BeB	Beryllium monoboride	beb
280	B2	Boron diatomic	b2
281	B2-	Boron diatomic anion	b2-
282	B2+	Boron diatomic cation	b2+
283	BAl	Boron Aluminum	bal
284	Al2	Aluminum diatomic	al2
285	Al2-	aluminum diatomic anion	al2-
286	Al2+	aluminum diatomic cation	al2+
287	BGa	Boron Gallium	bga
288	AlGa	Aluminum Gallium	alga
289	Ga2	Gallium diatomic	ga2
290	HBBH	Diborane(2)	hbbh
291	LiBH4	Lithium borohydride	libh4
292	B2H4	Diborane(4) D2d	b2h4
293	HBHHBH	Diborane(4) C2V	hbhhbh
294	B2H6	Diborane	b2h6
295	B2H6+	Diborane cation	b2h6
296	Al2H6	dialane	al2h6
297	Ga2H6	digallane	ga2h6
298	LiC	Lithium Carbide	lic
299	BeC	Beryllium Carbide	bec
300	CaC	Calcium monocarbide	cac
301	BC	boron monocarbide	bc
302	BC-	boron monocarbide anion	bc-
303	BC+	boron monocarbide cation	bc+
304	AlC	Aluminum carbide	alc
305	BSi	Boron silicide	bsi
306	C2	Carbon diatomic	c2
307	C2-	carbon diatomic anion	c2-
308	C2+	carbon diatomic cation	c2+
309	SiC	silicon monocarbide	sic
310	SiC-	silicon monocarbide anion	sic-
311	SiC+	silicon monocarbide cation	sic+
312	Si2	Silicon diatomic	si2
313	Si2-	silcon diatomic anion	si2-
314	Si2+	silcon diatomic cation	si2+
315	GeC	Germanium monocarbide	gec
316	SiGe	Silicon Germanium	sige
317	Ge2	Germanium diatomic	ge2
318	C2H	Ethynyl radical	c2h
319	C2H-	Ethynyl anion	c2h-
320	C2H+	Ethynyl cation	c2h+
321	ZnCH2	Zinc methylene	znch2
322	CCH2	vinylidene	vinylidene
323	H2CC-	vinylidene anion	h2cc-
324	HCCH-	acetylene anion	c2h2-
325	Si2H2	disilyne	si2h2
326	CH3Li	methyl lithium	ch3li
327	CuCH3	monomethyl copper	cuch3
328	ZnCH3	Zinc monomethyl	znch3
329	CH2BH	methyleneborane	ch2bh
330	C2H3	vinyl	c2h3
331	C2H3-	vinyl anion	c2h3-
332	C2H3+	vinyl cation	c2h3+
333	CH3CH	methylmethylene	ch3ch
334	CH2SiH2	silaethylene	ch2sih2
335	Si2H4	Disilene	si2h4
336	CH3BH2	methylborane	ch3bh2
337	C2H5	Ethyl radical	c2h5
338	C2H5-	Ethyl anion	c2h5-
339	C2H5+	Ethyl cation	c2h5+
340	CH3SiH3	methyl silane	ch3sih3
341	Si2H6	disilane	si2h6
342	GeH3CH3	methyl germane	geh3ch3
343	C2H7+	Ethane, protonated	c2h7+
344	LiN	Lithium Nitride	lin
345	LiN+	Lithium Nitride cation	lin+
346	LiP	Lithium monophosphide	lip
347	BeN	Beryllium mononitride	ben
348	BeN-	Beryllium mononitride anion	ben-
349	BeN+	Beryllium mononitride cation	ben+
350	MgN	Magnesium Nitride	mgn
351	BN-	boron nitride anion	bn-
352	AlN-	aluminum mononitride anion	aln-
353	AlN+	aluminum mononitride cation	aln+
354	BP	Boron monophosphide	bp
355	AlP	Aluminum monophosphide	alp
356	GaN	Gallium mononitride	gan
357	GaP	Gallium monophosphide	gap
358	GaAs	Gallium arsenide	gaas
359	BN	boron nitride	bn
360	BN+	boron nitride cation	bn+
361	AlN	Aluminum nitride	aln
362	CN	Cyano radical	cn
363	CN-	cyanide anion	cn-
364	CN+	Cyano cation	cn+
365	CP	Carbon monophosphide	cp
366	CP-	carbon monophosphide anion	cp-
367	CP+	carbon monophosphide cation	cp+
368	SiN	Silicon nitride	sin
369	SiN-	silicon mononitride anion	sin-
370	SiN+	silicon mononitride cation	sin+
371	SiP	Silicon monophosphide	sip
372	SiP-	Silicon monophosphide anion	sip-
373	SiP+	Silicon monophosphide cation	sip+
374	TiN	Titanium mononitride	tin
375	N2-	nitrogen diatomic anion	n2-
376	N2+	diatomic nitrogen cation	n2+
377	PN	Phosphorus mononitride	pn
378	PN-	phosphorus nitride anion	pn-
379	PN+	phosphorus nitride cation	pn+
380	P2	Phosphorus diatomic	p2
381	P2-	phosphorus diatomic anion	p2-
382	P2+	phosphorus diatomic cation	p2+
383	AsN	Arsenic mononitride	asn
384	AsP	Arsenic monophosphide	asp
385	SbN	Antimony nitride	sbn
386	As2	Arsenic diatomic	as2
387	HNB	hydrogen nitrogen boron	hnb
388	HNC	hydrogen isocyanide	hnc
389	HCN+	hydrogen cyanide cation	hcn+
390	HNC+	hydrogen isocyanide cation	hnc+
391	HCP	Phosphaethyne	hcp
392	HCP+	Phosphaethyne cation	hcp+
393	NNH	Dinitrogen monohydride	nnh
394	NNH+	Dinitrogen monohydride cation	nnh+
395	HPO	Hydrogen phosphorus oxide	hpo
396	HPO+	Hydrogen phosphorus oxide cation	hpo+
397	LiNH2	lithium amide	linh2
398	HBNH	Boranimine	hbnh
399	CNH2	Aminomethylidyne radical	cnh2
400	CNH2+	N-protonated hydrogen isocyanide	cnh2+
401	H2CN	Dihydrogen cyanide radical	h2cn
402	H2CN+	hydrocyanonium cation	h2cn+
403	HCNH	methyleneazane	hcnh
404	HCNH+	N-protonated HCN	hcnh+
405	H2NN	Isodiazene	h2nn
406	N2H2	(E)-diazene	n2h2
407	N2H2	(Z)-Diazene	n2h2z
408	N2H2+	trans-diazene cation	n2h2+
409	CH2NH	Methanimine	ch3n
410	CH2NH+	Methanimine cation	ch2nh+
411	CHNH2	aminomethylene	chnh2
412	CHNH2+	Aminocarbene cation	chnh2+
413	CH2PH	Phosphaethene	ch3p
414	BH2NH2	Boranamine	bh2nh2
415	CH2NH2+	methyleneamine cation	ch2nh2+
416	P2H4	Diphosphine	p2h4
417	CH3PH2	Methyl phosphine	ch3ph2
418	SiH3NH2	Silane, amino	sih3nh2
419	N2H5+	protonated hydrazine	n2h5+
420	BH3PH3	borane phosphine	bh3ph3
421	BH3NH3	borane ammonia	bh3nh3
422	CH3NH3	methyl ammonium radical	ch3nh3
423	CH3NH3+	protonated methylamine	ch3nh3+
424	CH3PH3+	methyl phosphine, protonated	ch3ph3+
425	N2H7+	ammonia ammonium dimer	n2h7+
426	LiO	lithium oxide	lio
427	LiO-	lithium oxide anion	lio-
428	LiO+	lithium oxide cation	lio+
429	LiS	Lithium monosulfide	lis
430	LiS+	Lithium sulfide cation	lis+
431	NaO	sodium monoxide	nao
432	NaO-	sodium oxide anion	nao-
433	NaO+	sodium oxide cation	nao+
434	KO	Potassium monoxide	ko
435	KO+	Potassium monoxide cation	ko+
436	NaS	Sodium sulfide	nas
437	CuO	Copper Monoxide	cuo
438	LiSe	Lithium monoselenide	lise
439	BeO	beryllium oxide	beo
440	BeO-	Beryllium monoxide anion	beo-
441	BeO+	Beryllium monoxide cation	beo+
442	BeS	beryllium sulfide	bes
443	MgO	magnesium oxide	mgo
444	MgO-	magnesium oxide anion	mgo-
445	MgO+	magnesium oxide cation	mgo+
446	CaO	Calcium monoxide	cao
447	MgS	magnesium sulfide	mgs
448	MgS-	magnesium sulfide anion	mgs-
449	MgS+	magnesium sulfide cation	mgs+
450	CaS	Calcium sulfide	cas
451	ZnO	zinc monoxide	zno
452	ZnS	Zinc sulfide	zns
453	BeS-	Beryllium monosulfide anion	bes-
454	BeS+	Beryllium monosulfide cation	bes+
455	BO	boron monoxide	bo
456	BO-	boron monoxide anion	bo-
457	AlO	Aluminum monoxide	alo
458	AlO-	Aluminum monoxide anion	alo-
459	AlO+	aluminum monoxide cation	alo+
460	BS	boron sulfide	bs
461	BS-	boron monosulfide anion	bs-
462	BS+	boron monosulfide cation	bs+
463	AlS	Aluminum sulfide	als
464	AlS-	aluminum monosulfide anion	als-
465	AlS+	aluminum monosulfide cation	als+
466	ScO	Scandium monoxide	sco
467	GaO	Gallium monoxide	gao
468	GaS	Gallium monosulfide	gas
469	BO+	boron monoxide cation	bo+
470	CO-	carbon monoxide anion	co-
471	CO+	carbon monoxide cation	co+
472	CS	carbon monosulfide	cs
473	CS-	carbon monosulfide anion	cs-
474	CS+	carbon monosulfide cation	cs+
475	SiO	Silicon monoxide	sio
476	SiO-	silicon monoxide anion	sio-
477	SiO+	silicon monoxide cation	sio+
478	SiS	silicon monosulfide	sis
479	SiS-	silicon monosulfide anion	sis-
480	SiS+	silicon monosulfide cation	sis+
481	TiO	Titanium monoxide	tio
482	CSe	Carbon monoselenide	cse
483	CSe-	Carbon monoselenide anion	cse-
484	CSe+	Carbon monoselenide cation	cse+
485	GeO	Germanium monoxide	geo
486	GeO+	Germanium monoxide cation	geo+
487	GeS	Germanium monosulfide	ges
488	SiSe	Silicon Monoselenide	sise
489	SiSe+	Silicon Monoselenide cation	sise+
490	GeSe	Germanium monoselenide	gese
491	NO-	nitric oxide anion	no-
492	NO+	nitric oxide cation	no+
493	NS	Mononitrogen monosulfide	ns
494	NS-	nitrogen sulfide anion	ns-
495	NS+	nitrogen sulfide cation	ns+
496	PO	Phosphorus monoxide	po
497	PO-	phosphorus monoxide anion	po-
498	PO+	phosphorus monoxide cation	po+
499	PS	phosphorus sulfide	ps
500	PS-	phosphorus monosulfide anion	ps-
501	PS+	phosphorus monosulfide cation	ps+
502	VO	Vanadium monoxide	vo
503	AsO	Arsenic monoxide	aso
504	NSe	Nitrogen monoselenide	nse
505	AsS	Arsenic monosulfide	ass
506	PSe	Phosphorus monoselenide	pse
507	AsSe	Arsenic monoselenide	asse
508	O2-	oxygen diatomic anion	o2-
509	O2--	dioxygen dianion	o2--
510	O2+	diatomic oxygen cation	o2+
511	SO	Sulfur monoxide	so
512	SO-	sulfur monoxide anion	so-
513	SO+	sulfur monoxide cation	so+
514	S2	Sulfur diatomic	s2
515	S2-	sulfur diatomic anion	s2-
516	S2+	sulfur diatomic cation	s2+
517	SeO	Selenium monoxide	seo
518	SeO-	selenium monoxide anion	seo-
519	SeO+	selenium monoxide cation	seo+
520	SeS	Selenium monosulfide	ses
521	SeS-	selenium monosulfide anion	ses-
522	SeS+	selenium monosulfide cation	ses+
523	TeO	Tellurium monoxide	teo
524	Se2	Selenium diatomic	se2
525	Se2-	selenium diatomic anion	se2-
526	Se2+	selenium diatomic cation	se2+
527	Te2	Tellurium diatomic	te2
528	LiOH	lithium hydroxide	lioh
529	NaOH	sodium hydroxide	naoh
530	KOH	Potassium hydroxide	koh
531	BeOH	beryllium monohydroxide	beoh
532	MgOH	magnesium hydroxide	mgoh
533	CaOH	Calcium monohydroxide	caoh
534	HBO	Boron hydride oxide	hbo
535	HBS	hydrogen boron sulfide	hbs
536	COH	Hydroxymethylidyne	coh
537	COH+	Carbon Monoxide, protonated	coh+
538	HCO	Formyl radical	hco
539	HCO-	formyl anion	hco-
540	HCO+	Formyl cation	hco+
541	HCS	Thioformyl radical	hcs
542	HCS-	Thioformyl anion	hcs-
543	HCS+	Thioformyl cation	hcs+
544	HNO	Nitrosyl hydride	hno
545	HNO-	Nitrosyl hydride anion	hno-
546	HNO+	Nitrosyl hydride cation	hno+
547	NOH	Hydroxyimidogen	noh
548	NOH+	O-protonated nitric oxide	noh+
549	HNS	Sulfur imide	hns
550	HNS-	Sulfur imide anion	hns-
551	HO2	Hydroperoxy radical	ho2
552	HO2-	Hydroperoxy anion	ho2-
553	HO2+	Hydroperoxy cation	ho2+
554	HSO+	Sulfur Monoxide, S-protonated	HSO+
555	SOH	Sulfur Hydroxide	soh
556	SOH+	Sulfur Monoxide, protonated	soh+
557	HS2	Thiosulfeno radical	hs2
558	HOCH	hydroxycarbene	hoch
559	H2CS	Thioformaldehyde	h2cs
560	H2CS-	thioformaldehyde anion	h2cs-
561	H2CS+	thioformaldehyde cation	h2cs+
562	H2CSe	Selenoformaldehyde	h2cse
563	H2NO	nitroxide	h2no
564	H2O2	Hydrogen peroxide	h2o2
565	H2O2+	Hydrogen peroxide cation	h2o2+
566	H2OO	water oxide	h2oo
567	HOSH	hydrogen thioperoxide	hosh
568	H2S2	Disulfane	h2s2
569	H2S2+	hydrogen disulfide cation	h2s2+
570	H2Se2	hydrogen diselenide	h2se2
571	CH2OH	Hydroxymethyl radical	ch2oh
572	CH2OH+	hydroxymethyl cation	ch2oh+
573	CH3O	Methoxy radical	ch3o
574	CH3O-	methoxy anion	ch3o-
575	CH3O+	Methoxy cation	ch3o+
576	CH3S	thiomethoxy	ch3s
577	H2CSH+	Thioformaldehyde, protonated	h2csh+
578	NH2OH	hydroxylamine	nh2oh
579	NH2OH+	Hydroxylamine cation	nh2oh+
580	NH3O	Ammonia Oxide	nh3o
581	H2POH	Phosphinous acid	h2poh
582	H3PO	Phosphine oxide	h3po
583	NH2SH	Thiohydroxylamine	nh2sh
584	NH3S	sulfidoazane	nh3s
585	H3O2+	hydrogen peroxide, protonated	h3o2+
586	SiH3OH	silanol	sih3oh
587	NH2OH2+	protonated hydroxylamine	nh2oh2+
588	NH3OH+	N-protonated hydroxylamine	nh3oh+
589	H2OH2O	water dimer	h2oh2o
590	CH3OH2+	Methanol, protonated	ch3oh2+
591	CH3SH2+	protonated methylsulfide	ch3sh2+
592	H5O2+	Dihydroxonium ion	h5o2+
593	LiF	lithium fluoride	lif
594	LiCl	lithium chloride	licl
595	LiCl-	lithium chloride anion	licl-
596	LiCl+	lithium chloride cation	licl+
597	NaF	sodium fluoride	naf
598	NaF-	sodium fluoride anion	naf-
599	NaF+	sodium fluoride cation	naf+
600	KF	Potassium Fluoride	kf
601	NaCl	Sodium Chloride	nacl
602	NaCl-	sodium chloride anion	nacl-
603	NaCl+	sodium chloride cation	nacl+
604	KCl	Potassium Chloride	kcl
605	CuF	Copper monofluoride	cuf
606	LiBr	Lithium Bromide	libr
607	LiBr-	lithium bromide anion	libr-
608	LiBr+	lithium bromide cation	libr+
609	CuCl	Copper monochloride	cucl
610	NaBr	Sodium Bromide	nabr
611	NaBr-	sodium bromide anion	nabr-
612	NaBr+	sodium bromide cation	nabr+
613	KBr	Potassium Bromide	kbr
614	LiI	Lithium Iodide	lii
615	NaI	Sodium Iodide	nai
616	KI	Potassium Iodide	ki
617	LiF-	lithium fluoride anion	lif-
618	LiF+	lithium fluoride cation	lif+
619	BeF	Beryllium monofluoride	bef
620	BeF-	Beryllium monofluoride anion	bef-
621	BeF+	Beryllium monofluoride cation	bef+
622	BeCl	beryllium monochloride	becl
623	MgF	Magnesium monofluoride	mgf
624	MgF-	magnesium fluoride anion	mgf-
625	MgF+	magnesium fluoride cation	mgf+
626	CaF	Calcium monofluoride	caf
627	MgCl	magnesium monochloride	mgcl
628	MgCl-	magnesium monochloride anion	mgcl-
629	MgCl+	magnesium monochloride cation	mgcl+
630	CaCl	calcium monochloride	cacl
631	TiCl	Titanium Monochloride	ticl
632	ZnF	Zinc monofluoride	znf
633	ZnF-	Zinc monofluoride anion	znf-
634	ZnF+	Zinc monofluoride cation	znf+
635	ZnCl	Zinc monochloride	zncl
636	CaBr	Calcium monobromide	cabr
637	BeCl-	beryllium monochloride anion	becl-
638	BeCl+	beryllium monochloride cation	becl+
639	BF-	Boron monofluoride anion	bf-
640	BF+	Boron monofluoride cation	bf+
641	AlF	Aluminum monofluoride	alf
642	AlF-	Aluminum monofluoride anion	alf-
643	AlF+	Aluminum monofluoride cation	alf+
644	BCl	boron monochloride	bcl
645	BCl-	boron monochloride anion	bcl-
646	BCl+	boron monochloride cation	bcl+
647	AlCl-	aluminum monochloride anion	alcl-
648	AlCl+	aluminum monochloride cation	alcl+
649	ScF	Scandium monofluoride	scf
650	BBr	Boron monobromide	bbr
651	GaF	Gallium monofluoride	gaf
652	GaF+	Gallium monofluoride cation	gaf+
653	AlBr	Aluminum monobromide	albr
654	GaCl	Gallium monochloride	gacl
655	GaCl+	Gallium monochloride cation	gacl+
656	AlI	Aluminum monoiodide	ali
657	GaBr	Gallium monobromide	gabr
658	CF	Fluoromethylidyne	cf
659	CF-	carbon monofluoride anion	cf-
660	CF+	carbon monofluoride cation	cf+
661	CCl	carbon monochloride	ccl
662	CCl-	carbon monochloride anion	ccl-
663	CCl+	carbon monochloride cation	ccl+
664	SiF	silicon monofluoride	sif
665	SiF-	silicon monofluoride anion	sif-
666	SiF+	silicon monofluoride cation	sif+
667	SiCl	Clorosilylidyne	sicl
668	SiCl-	silicon monochloride anion	sicl-
669	SiCl+	silicon monochloride cation	sicl+
670	CBr	Carbon monobromide	cbr
671	GeF	Germanium monofluoride	gef
672	GeF+	Germanium monofluoride cation	gef+
673	GeCl	Germanium monochloride	gecl
674	GeCl+	Germanium monochloride cation	gecl+
675	SiBr	Silicon monobromide	sibr
676	SiBr+	Silicon monobromide cation	sibr+
677	NF	nitrogen fluoride	nf
678	NF-	nitrogen monofluorine anion	nf-
679	NF+	nitrogen monofluoirde cation	nf+
680	NCl	nitrogen monochloride	ncl
681	NCl-	nitrogen monochloride anion	ncl-
682	NCl+	nitrogen monochloride cation	ncl+
683	PF	phosphorus monofluoride	pf
684	PF-	phosphorus monofluoride anion	pf-
685	PF+	phosphorus monofluoride cation	pf+
686	PCl	phosphorus chloride	pcl
687	PCl-	phosphorus monochloride anion	pcl-
688	PCl+	phosphorus monochloride cation	pcl+
689	AsF	Arsenic monofluoride	asf
690	NBr	nitrogen monobromide	nbr
691	AsCl	Arsenic monochloride	ascl
692	PBr	Phosphorus monobromide	pbr
693	SbF	Antimony monofluoride	sbf
694	SbCl	Antimony monochloride	sbcl
695	FO	Oxygen monofluoride	fo
696	FO-	flourine oxide anion	fo-
697	FO+	fluorine monoxide cation	fo+
698	ClO	Monochlorine monoxide	clo
699	ClO-	chlorine monoxide anion	clo-
700	ClO+	chlorine monoxide cation	clo+
701	SF	Monosulfur monofluoride	sf
702	SF-	sulfur monofluoride anion	sf-
703	SF+	sulfur monofluoride cation	sf+
704	SCl	sulfur monochloride	scl
705	SCl-	sulfur monochloride anion	scl-
706	SCl+	sulfur monochloride cation	scl+
707	BrO	Bromine monoxide	bro
708	BrO-	Bromine monoxide anion	bro-
709	BrO+	Bromine monoxide cation	bro+
710	SeF	Selenium monofluoride	sef
711	SBr	Sulfur monobromide radical	sbr
712	SBr+	Sulfur monobromide cation	sbr+
713	SeCl	Selenium monochloride	secl
714	IO	Iodine monoxide	io
715	SeBr	Selenium monobromide	sebr
716	BrCl	Bromine monochloride	brcl
717	F2-	flourine diatomic anion	f2-
718	F2+	flourine diatomic cation	f2+
719	ClF	Chlorine monofluoride	clf
720	ClF-	clorine monofluoride anion	clf-
721	ClF+	clorine monofluoride cation	clf+
722	Cl2-	chlorine diatomic anion	cl2-
723	Cl2+	chlorine diatomic cation	cl2+
724	BrF	Bromine monofluoride	brf
725	BrF-	bromine fluoride anion	brf-
726	BrF+	bromine fluoride cation	brf+
727	BrCl-	bromine chloride anion	brcl-
728	BrCl+	bromine chloride cation	brcl+
729	IF	Iodine monofluoride	if
730	Br2	Bromine diatomic	br2
731	Br2-	bromine diatomic anion	br2-
732	Br2+	bromine diatomic cation	br2+
733	ICl	Iodine monochloride	icl
734	IBr	Iodine monobromide	ibr
735	I2	Iodine diatomic	i2
736	I2+	Iodine diatomic cation	i2+
737	HCF	Fluoromethylene	hcf
738	HCCl	Chloromethylene	hccl
739	HSiF	fluorosilylene	hsif
740	HSiCl	Chlorosilylene	hsicl
741	HSiBr	monobromosilylene	hsibr
742	CHBr	bromomethylene	chbr
743	HOF	Hypofluorous acid	hfo
744	DOCl	Hypochlorous acid-d	docl
745	HOCl	hypochlorous acid	hocl
746	HOCl+	hypochlorous acid cation	hocl+
747	HOBr	Hypobromous acid	hobr
748	HOBr+	Hypobromous acid cation	hobr+
749	HOI	Hypoiodous acid	hoi
750	F2H+	Fluorine, protonated	f2h+
751	FHF	Hydrogen difluoride	fhf
752	FHF-	Hydrogen difluoride anion	fhf-
753	ClFH+	Chlorine fluoride, F-protonated	clfh+
754	FClH+	Chlorine fluoride, Cl-protonated	fclh+
755	Cl2H+	Chlorine, protonated	cl2h+
756	CH2Br	bromomethyl radical	ch2br
757	CH2F	fluoromethyl radical	ch2f
758	CH2F+	fluoromethyl cation	ch2f+
759	CH2Cl+	chloromethyl cation	ch2cl+
760	CH2Cl	chloromethyl radical	ch2cl
761	NH2F	monofluoroamine	nh2f
762	NH2Cl	chloramine	nh2cl
763	H2F2	Hydrogen fluoride dimer	h2f2
764	CH3F+	methyl fluoride cation	ch3f+
765	CD3F	methylfluoride-d3	cd3f
766	CH3F	Methyl fluoride	ch3f
767	CD3Cl	methyl chloride d3	cd3cl
768	CH3Cl+	Methyl chloride cation	ch3cl+
769	SiH3F	monofluorosilane	sih3f
770	SiH3Cl	chlorosilane	sih3cl
771	GeH3F	monofluorogermane	geh3f
772	GeH3Cl	monochlorogermane	geh3cl
773	SiH3Br	bromosilane	sih3br
774	CH3I	methyl iodide	ch3i
775	SiH3I	Silyl Iodide	sih3i
776	NH3Cl+	protonated monochloroammonia	nh3cl+
777	CH3ClH+	methyl chloride, protonated	ch3clh+
778	NH4Cl	Ammonium chloride	nh4cl
779	LiNe+	Lithium Neon cation	line+
780	Ne2	Neon diatomic	ne2
781	Ne2+	Neon diatomic cation	ne2+
782	Ar2	Argon diatomic	ar2
783	Ar2+	Argon diatomic cation	ar2+
784	Li3	Lithium trimer	li3
785	Li3+	Lithium trimer cation	li3+
786	C3	carbon trimer	c3
787	C3+	carbon trimer cation	c3+
788	SiC2	Silicon dicarbide	sic2
789	C3H3	cyclopropenyl radical	cpr
790	C3H3	Propargyl radical	propargyl
791	C3H3-	Propargyl anion	c3h3-
792	C3H3+	cyclopropenyl cation	cpr+
793	C3H3+	Propargyl cation	c3h3+
794	C3H4	cyclopropene	cprop
795	CH2CCH2	allene	allene
796	C3H5+	Allyl cation	allyl+
797	CH3CHCH	1-propenyl radical	ch3chch
798	Zn(CH3)2	dimethyl zinc	dmz
799	C3H7	n-Propyl radical	npropyl
800	C3H7+	cyclopropane, protonated	c3h7+
801	CH3CHCH3	Isopropyl radical	isopropyl
802	CH3CHCH3+	Isopropyl cation	prop2yl+
803	SiH2(CH3)2	dimethylsilane	dms
804	Si3H8	trisilane	si3h8
805	LiCN	lithium cyanide	licn
806	CuCN	Copper cyanide	cucn
807	ZnCN	Zinc monocyanide	zncn
808	ZnNC	Zinc isocyanide	znnc
809	AlCN	Aluminum monocyanide	alcn
810	AlNC	Aluminum isocyanide	alnc
811	CN2	3H-Diazirin-3-ylidene	cn2
812	CNN	Diazocarbene	cnn
813	NCN	Cyanoimidogen	ncn
814	N3	azide radical	n3
815	N3-	azide anion	n3-
816	N3+	azide cation	n3+
817	HCCN	cyanomethylene	hccn
818	HCNN	diazomethyl radical	hcnn
819	HN3	hydrogen azide	hn3
820	HN3+	Hydrazoic acid cation	hn3+
821	NH2CN	cyanamide	cyanamide
822	HNNNH+	1,2-Triazadienium	n2h3+
823	NH2NN+	hydrazoic acid, protonated	nh2nn+
824	CH3NC	methyl isocyanide	ch3nc
825	H2CCNH	Ethenimine	ch2cnh
826	H2CNCH	methyleneaminomethylene	ch2nch
827	HCCNH2	Ethynamine	hccnh2
828	HCNCH2+	2H-Azirine cation	hcnch2+
829	HNCNH2+	diiminomethane, protonated	hncnh2+
830	NCNH3+	Cyanamide, protonated	ncnh3+
831	NH2CNH+	cyanamide, cn protonated	nh2cnh+
832	NH3CN+	cyanamide, amine protonated	nh3cn+
833	CH2CHNH	vinylazine	ch2chnh
834	CH3CHN	methylmethaniminyl radical	ch3chn
835	CH2CHNH2	aminoethene	aminoethene
836	CH2NCH3	N-methylmethanimine	nmm
837	CH3CHNH	ethanimine	ethanimine
838	NH2BHNH2	diaminoborane	nh2bhnh2
839	C2H5NH+	Protonated Aziridine	c2h5nh+
840	C2H6N+	aziridine, protonated	c2h6n+
841	NH2CH2NH2	diaminomethane	nh2ch2nh2
842	CH3PHCH3	dimethylphosphine	ch3phch3
843	NH2CH2NH3+	diaminoethane, protonated	pdam
844	(CH3)2NH2+	dimethylammonium cation	dmam
845	CH3CH2NH3+	ethylamine, protonated	pea
846	Li2O	dilithium oxide	li2o
847	Li2O+	dilithium oxide cation	li2o+
848	Li2S	dilithium sulfide	li2s
849	Na2O	disodium monoxide	na2o
850	Na2S	Sodium sulfide	na2s
851	LiO2	Lithium dioxide	lio2
852	NaO2	Sodium superoxide	nao2
853	CCO	Dicarbon monoxide	cco
854	CNO-	fulminate	cno-
855	NCO	isocyanato radical	nco
856	NCO-	cyanate	nco-
857	SCN	thiocyanato radical	scn
858	SCN-	thiocyanide anion	scn-
859	BO2	Boron dioxide	bo2
860	BO2-	Boron dioxide anion	bo2-
861	BO2+	Boron dioxide cation	bo2+
862	N2O	Nitrous oxide	n2o
863	N2O-	Nitrous oxide anion	n2o-
864	N2O+	Nitrous oxide cation	n2o+
865	NNS	Nitrogen sulfide	nns
866	PPO	Phosphorus oxide phosphide	ppo
867	OCS	Carbonyl sulfide	cos
868	OCS+	Carbonyl sulfide cation	cos+
869	SiO2	silicon dioxide	sio2
870	CS2+	Carbon disulfide cation	cs2+
871	TiO2	Titanium dioxide	tio2
872	SiS2	Silicon disulfide	sis2
873	GeO2	Germanium dioxide	geo2
874	OCSe	Carbonyl selenide	ocse
875	SCSe	Carbon sulfide selenide	scse
876	GeS2	Germanium disulfide	ges2
877	CSe2	Carbon diselenide	cse2
878	SCTe	Carbon sulfide Telluride	scte
879	NO2	Nitrogen dioxide	no2
880	NO2-	Nitrogen dioxide anion	no2-
881	NO2+	Nitrogen dioxide cation	no2+
882	NSO	sulfinyl amidogen	NSO
883	PO2	Phosphorus dioxide	po2
884	PO2-	Phosphorus dioxide anion	po2-
885	PO2+	Phosphorus dioxide cation	po2+
886	SNO	Nitrogen oxide sulfide	sno
887	AsO2	Aresenic dioxide	aso2
888	O3	Ozone	o3
889	O3-	Ozone anion	o3-
890	O3+	Ozone cation	o3+
891	SO2-	Sulfur dioxide anion	so2-
892	SO2+	Sulfur dioxide cation	so2+
893	SSO	Disulfur monoxide	sso
894	S3	Sulfur trimer	s3
895	S3-	Sulfur trimer anion	s3-
896	S3+	Sulfur trimer cation	s3+
897	SeO2	Selenium dioxide	seo2
898	SeO2+	Selenium dioxide cation	seo2+
899	TeO2	Tellurium Dioxide	teo2
900	HCCO	ketenyl radical	ketenyl
901	CS2H+	Carbon disulfide, protonated	cs2h+
902	HCNO	fulminic acid	hcno
903	HOCN	cyanic acid	hocn
904	HNCS	Isothiocyanic acid	hncs
905	HSCN	thiocyanic acid	hscn
906	HCO2-	formate anion	hco2-
907	HNNO	nitrosoazane	hnno
908	HNNO+	Nitrous oxide, N-protonated	hnno+
909	NNOH+	Nitrous Oxide, O-protonated	nnoh+
910	HCOO	formate neutral radical	hcoo
911	HOCO	Hydrocarboxyl radical	hoco
912	HOCO+	Hydrocarboxyl cation	hoco+
913	HNO2	Nitrous acid	hno2
914	HNO2+	nitrous acid cation	hno2+
915	O3H+	protonated ozone	o3h+
916	SO2H+	protonated sulfur dioxide	so2h+
917	C2H2O	Oxirene	oxirene
918	CH2CO	Ketene	ch2co
919	CH2CO+	Ketene cation	ch2co+
920	HCCOH	ethynol	hccoh
921	CH2CS	Thioketene	ch2cs
922	Be(OH)2	Beryllium hydroxide	beo2h2
923	Mg(OH)2	Magnesium dihydroxide	h2mgo2
924	NH2NO	Nitrosamide	nh2no
925	H2COO	Dioxymethyl radical	h2coo
926	H2COO+	dioxymethyl cation	h2coo+
927	H2O3	Hydrogen trioxide	h2o3
928	HSSSH	trisulfane	hsssh
929	CH2BOH	hydroxy(methylene)borane	ch2boh
930	BH3CO	Borane carbonyl	bh3co
931	CH3BO	Borane, methyloxo-	ch3bo
932	CH2CHO	Vinyloxy radical	ch2cho
933	CH2COH+	ketene, protonated	ch2coh+
934	CH3CO	Acetyl radical	ch3co
935	CH3CO-	Acetyl anion	ch3co-
936	CH3CO+	acetyl cation	ch3co+
937	CH3NO	nitrosomethane	ch3no
938	CNOH3	1,2-oxaziridine	cnoh3
939	HOCHNH	hydroxymethylimine	hochnh
940	CHSNH2	thioformamide	chsnh2
941	NHCHSH	Methanimidothioic acid	nhchsh
942	CH2OOH	CH2OOH radical	ch2ooh
943	CH3OO	methylperoxy radical	ch3oo
944	CH3OO-	methylperoxy anion	ch3oo-
945	CH3OO+	methylperoxy cation	ch3oo+
946	C2H4O+	ethylene oxide cation	c2h4o+
947	CH2CHOH	ethenol	ch2choh
948	CH3CHO+	acetaldehyde cation	ch3cho+
949	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
950	C2H4S	Thiirane	thiirane
951	CH2CHSH	Ethenethiol	ch2chsh
952	CH3CHS	Thioacetaldehyde	ch3chs
953	H2CONH2+	protonated formamide	h2conh2+
954	NH2CHOH+	Formamide, O-protonated	nh2choh+
955	NH3CHO+	Formamide, N-Protonated	nh3cho+
956	CH2(OH)2	methanediol	ch2o2h2
957	CH3OOH	Methyl peroxide	ch3ooh
958	CH3SSH	Hydrogen methyl disulfide	ch3ssh
959	HSCH2SH	Methanedithiol	ch4s2
960	C2H4OH+	ethylene oxide, protonated	c2h4oh+
961	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
962	CH3CH2O	Ethoxy radical	ethoxy
963	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
964	CH3CHOH+	acetaldehyde, protonated	ch3choh+
965	CH3OCH2	methoxymethyl radical	ch3och2
966	NH2CH2OH	aminomethanol	nh2ch2oh
967	CH3SCH3+	dimethyl sulfide cation	mesme+
968	CH3SeCH3	dimethylselenide	dmse
969	CH3OHH2O	methanol water dimer	ch3ohh2o
970	CuF2	Copper difluoride	cuf2
971	ZnF2	Zinc difluoride	znf2
972	CNF	iso cyanogen fluoride	cnf
973	FCN	Cyanogen fluoride	fcn
974	ClCN	chlorocyanogen	clcn
975	BrCN	Cyanogen bromide	brcn
976	ICN	Cyanogen iodide	icn
977	FBO	Boron monofluoride monoxide	fbo
978	BeF2	Beryllium fluoride	bef2
979	MgF2	Magnesium fluoride	mgf2
980	BeCl2	Beryllium chloride	becl2
981	MgCl2	Magnesium dichloride	mgcl2
982	CaCl2	Calcium Chloride	cacl2
983	ZnCl2	Zinc dichloride	zncl2
984	BeBr2	Beryllium bromide	bebr2
985	CaBr2	Calcium dibromide	cabr2
986	CaF2	Calcium difluoride	caf2
987	FCO	Carbonyl fluoride	fco
988	FCO+	Carbonyl fluoride cation	fco+
989	ClCO	carbonyl monochloride	clco
990	BF2	Boron difluoride radical	bf2
991	FNO	Nitrosyl fluoride	fno
992	ClNO	Nitrosyl chloride	clno
993	FNS	Thionitrosyl fluoride	fns
994	FSN	Thiazyl fluoride	fsn
995	OPCl	Phosphorus oxychloride	opcl
996	BrNO	Nitrosyl bromide	brno
997	INO	Nitrosyl iodide	ino
998	CF2	Difluoromethylene	cf2
999	CF2-	Difluoromethylene anion	cf2-
1000	CF2+	Difluoromethylene cation	cf2+
1001	CFCl	chlorofluoromethylene	cfcl
1002	SiF2	Silicon difluoride	sif2
1003	SiF2+	Silicon difluoride cation	sif2+
1004	CCl2	dichloromethylene	ccl2
1005	CCl2-	dichloromethylene anion	ccl2-
1006	CCl2+	dichloromethylene cation	ccl2+
1007	SiCl2	Dichlorosilylene	sicl2
1008	GeF2	Germanium difluoride	gef2
1009	GeCl2	Germanium dichloride	gecl2
1010	CBr2	dibromomethylene	cbr2
1011	FOO	Dioxygen monofluoride radical	foo
1012	FOO+	Fluorine dioxide cation	foo+
1013	ClOO	chloroperoxy radical	cloo
1014	ClOO+	chloroperoxy cation	cloo+
1015	OClO	Chlorine dioxide	oclo
1016	OClO-	Chlorine dioxide anion	oclo-
1017	OClO+	Chlorine dioxide cation	oclo+
1018	ClSO	Sulfur chloride oxide	clso
1019	ClS2	Sulfur chloride	cls2
1020	BrOO	Bromine dioxide	broo
1021	OBrO	Bromine dioxide radical	obro
1022	NF2	Difluoroamino radical	nf2
1023	NF2+	Difluoroamino cation	nf2+
1024	PF2	Phosphorus difluoride	pf2
1025	PF2+	Phosphorus difluoride cation	pf2+
1026	FClO	chlorosyl fluoride	fclo
1027	F2O	Difluorine monoxide	f2o
1028	ClOF	Chlorine hypofluorite	clof
1029	SF2	sulfur difluoride	sf2
1030	SF2-	sulfur difluoride anion	sf2-
1031	SF2+	sulfur difluoride cation	sf2+
1032	Cl2O	Dichlorine monoxide	cl2o
1033	SCl2	Sulfur dichloride	scl2
1034	SeF2	Selenium difluoride	sef2
1035	BrOCl	Bromine hypochlorite	brocl
1036	SeCl2	Selenium Dichloride	secl2
1037	SBr2	Sulfur dibromide	sbr2
1038	SeBr2	Selenium dibromide	sebr2
1039	BrOBr	Bromine oxide	brobr
1040	F3-	trifluoride anion	f3-
1041	Cl3-	trichloride anion	cl3-
1042	Br3-	tribromide anion	br3-
1043	I3-	triiodide	i3-
1044	SFCl	Sulfur chloride fluoride	sfcl
1045	HCCF	Fluoroacetylene	hccf
1046	HCCF+	fluoroacetylene cation	hccf+
1047	HCCCl	Chloroacetylene	hcccl
1048	HCCBr	bromoacetylene	hccbr
1049	HFCO	formyl fluoride	hfco
1050	HFCO+	formyl fluoride cation	hfco+
1051	COHCl	Formyl chloride	cohcl
1052	COHBr	Formyl bromide	cohbr
1053	BHF2	Difluoroborane	bhf2
1054	BHCl2	Borane, dichloro-	bhcl2
1055	CHCl2	dichloromethyl radical	chcl2
1056	CHF2	difluoromethyl radical	chf2
1057	CHF2+	difluoromethyl cation	chf2+
1058	CHFCl	Chlorofluoromethyl radical	chfcl
1059	CHFCl+	Chlorofluoromethyl cation	chfcl+
1060	CHCl2+	dichloromethyl cation	chcl2+
1061	CHBr2	dibromomethyl radical	chbr2
1062	HOClO	Chlorous acid	hoclo
1063	NHF2	difluoramine	nhf2
1064	NHCl2	dichloroamine	nhcl2
1065	CH2FCl	fluorochloromethane	ch2fcl
1066	SiH2F2	difluorosilane	sih2f2
1067	CH2FI	fluoroiodomethane	ch2fi
1068	CH2ClI	chloroiodomethane	ch2cli
1069	CH2BrI	bromoiodomethane	ch2bri
1070	CH2I2	Diiodomethane	ch2i2
1071	SiH2Cl2	dichlorosilane	sih2cl2
1072	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
1073	CH2CHF+	fluoroethene cation	ch2chf+
1074	C2H3Br	vinyl bromide	c2h3br
1075	C2H3I	Vinyl iodide	c2h3i
1076	CH2FOH	fluoromethanol	ch2foh
1077	CH3OCl	methyl hypochlorite	ch3ocl
1078	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
1079	CHClCH3	1-chloroethyl radical	chclch3
1080	CH3SiFH2	fluoromethylsilane	ch3sifh2
1081	C2H5I	Ethyl iodide	c2h5i
1082	KrF2	Krypton difluoride	krf2
1083	XeF2	Xenon difluoride	xef2
1084	B4H10	Tetraborane(10)	b4h10
1085	C4	Carbon tetramer	c4
1086	C4+	Carbon tetramer cation	c4+
1087	C4H2	Diacetylene	c4h2
1088	C4H2+	diacetlyene cation	c4h2+
1089	C2H3CCH	1-Buten-3-yne	c2h3cch
1090	C4H4	cyclobutadiene	cbd
1091	C4H4	Tetrahedrane	c4h4
1092	H2CCCCH2	Butatriene	h2cccch2
1093	C4H6	1-Methylcyclopropene	c3100047
1094	C4H6	Cyclobutene	c822355
1095	C4H6	Methylenecyclopropane	c6142730
1096	CH2CCHCH3	1,2-Butadiene	butad12
1097	CH3CCCH3	2-Butyne	c503173
1098	CH3CHCHCH2	methylallyl radical	c4h7
1099	C4H8	methylcyclopropane	mcp
1100	CH3CHCHCH3	2-Butene, (E)-	bute2e
1101	CH3CHCHCH3	2-Butene, (Z)-	bute2z
1102	B(CH3)3	trimethylborane	bme3
1103	Al(CH3)3	trimethyl aluminum	tma
1104	C(CH3)3	Tert-butyl radical	tbutyl
1105	CH2CH(CH3)2	Isobutyl radical	isobutyl
1106	CH3CHCH2CH3	2-Butyl radical	butyl2
1107	SiH(CH3)3	trimethylsilane	trimsi
1108	Li3N	trilithium nitride	li3n
1109	C2N2	Cyanogen	c2n2
1110	C2N2+	Cyanogen cation	c2n2+
1111	P4	Phosphorus tetramer	p4
1112	As4	Arsenic tetramer	as4
1113	HCCCN	Cyanoacetylene	hcccn
1114	HCCCN+	Cyanoacetylene cation	hcccn+
1115	H2CNCN	cyanamide, methylene	ch2ncn
1116	HNCCNH	Ethenediimine	hnccnh
1117	CH3N3	methyl azide	ch3n3
1118	NH2CCNH2	Diaminoacetylene	daa
1119	NH2CH2CN	Aminoacetonitrile	aan
1120	CH3NHN2+	methyl azide, protonated	ch3nhn2+
1121	C2H5CN	ethyl cyanide	c2h5cn
1122	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
1123	H2NCHCHNH2	diaminoethylene	dae
1124	CH6N3+	guanidinium	ch6n3+
1125	C3H7N	Cyclopropylamine	cpram
1126	CH7N3	triaminomethane	tam
1127	C3H7N	Azetidine	azet
1128	CH3NHNHCH3	dimethyl hydrazine	dmh
1129	P(CH3)3	trimethylphosphine	tmp
1130	N(SiH3)3	trisilylamine	tsa
1131	As(CH3)3	trimethyl arsine	tmas
1132	(CH3)3NH+	protonated trimethyl amine	ptma
1133	C3H7NH3+	n-propylamine, protonated	c3h7nh2
1134	Li2O2	dilithium dioxide	li2o2
1135	Na2O2	disodium dioxide	na2o2
1136	K2O2	dipotassium dioxide	k2o2
1137	C3O	Tricarbon monoxide	c3o
1138	B2O2	Diboron dioxide	b2o2
1139	ONNO	NO dimer	onno
1140	S2N2	Disulfur dinitride	s2n2
1141	CO3	Carbon trioxide	co3
1142	CO3--	carbonate	co3--
1143	CS3--	Carbonotrithioate	cs3--
1144	NO3	Nitrogen trioxide	no3
1145	NO3-	nitrate anion	no3-
1146	NO3+	nitrogen trioxide cation	no3+
1147	SO3	Sulfur trioxide	so3
1148	SO3-	Sulfur trioxide anion	so3-
1149	SO3--	Sulfate dianion	so3--
1150	SO3+	Sulfur trioxide cation	so3+
1151	SeO3	selenium trioxide	seo3
1152	S4	Sulfur tetramer	s4
1153	TeO3	Tellurium trioxide	teo3
1154	HNO3	Nitric acid	hno3
1155	HSO3	Hydroxysulfonyl radical	hso3
1156	NH2NO2	nitramide	nh2no2
1157	C2H2CO	cyclopropenone	c2h2co
1158	C3H2O	Propadienal	c3h2o
1159	HCCCHO	2-propynal	hcccho
1160	C2H2O2+	Ethanedial cation	c2h2o2+
1161	H2CO3	Carbonic acid	h2co3
1162	H2CS3	thiocarbonic acid	h2cs3
1163	H2NO3+	Nitric Acid, Protonated	h2no3+
1164	H2SO3	Sulfurous acid	h2so3
1165	C2H3NO	Nitrosoethylene	c2h3no
1166	CH3NCO	methylisocyante	ch3nco
1167	HOCH2CN	cyanomethanol	hoch2cn
1168	CH3ONO	Methyl nitrite	ch3ono
1169	NH2COOH	Carbamic acid	nh2cooh
1170	H3BO3	Boric acid	h3bo3
1171	H3AlO3	Aluminum hydroxide	h3alo3
1172	H3CO3+	carbonic acid, protonated	h3co3+
1173	C3H4O	allenol	c9000071
1174	C3H4O	Cyclopropanone	cpone
1175	C3H4O	Methylketene	c6004440
1176	NH2CONH2+	Urea cation	urea+
1177	C2H4O2	1,3-dioxetane	c2h4o2
1178	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
1179	NH3COOH+	protonated Carbamic acid	nh3cooh+
1180	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
1181	CH3COCH2	Acetonyl radical	ch3coch2
1182	CH2C(OH)NH2	1-amino vinyl alchohol	ava
1183	CH3C(OH)=NH	Ethaninidic acid	eia
1184	CH3CSNH2	Ethanethioamide	ch3csnh2
1185	CH5N2O+	urea, N-protonated	ch4n2o+
1186	H2NCOHNH2+	urea, protonated	ureah+
1187	C2H5OO	ethylperoxy radical	c2h5oo
1188	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
1189	C3H5OH	Cyclopropanol	cproh
1190	C3H6O	Acetone enol	enol
1191	C3H6O	Oxetane	oxetane
1192	C3H6S	Thiirane, methyl-	methiirane
1193	CH3CSCH3	Thioacetone	ch3csch3
1194	CH3OOCH3	dimethylperoxide	dmp
1195	CH3SOCH3	Dimethyl sulfoxide	dmso
1196	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
1197	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
1198	CH3COHCH3+	acetone, protonated	acetoneh+
1199	CH3OC2H5	Ethane, methoxy-	etome
1200	CH3SCH2CH3	Ethane, (methylthio)-	etsme
1201	Li2F2	Lithium fluoride dimer	li2f2
1202	Na2F2	Sodium Fluoride Dimer	na2f2
1203	Na2Cl2	Disodium dichloride	na2cl2
1204	C2F2	difluoroacetylene	c2f2
1205	C2Cl2	dichloroacetylene	c2cl2
1206	C2Cl2+	dichloroacetylene cation	c2cl2+
1207	FNO2	Nitryl fluoride	fno2
1208	FONO	Nitrosyl hypofluorite	fono
1209	ClNO2	Nitryl chloride	clno2
1210	ClONO	chlorine nitrite	clono
1211	BrONO	Bromine nitrite	brono
1212	N2F2	(Z)-Difluorodiazene	n2f2_z
1213	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
1214	CF2O+	Carbonic difluoride cation	f2co+
1215	Cl2CS	Thiophosgene	cl2cs
1216	COBr2	Carbonic dibromide	cobr2
1217	BF3-	Borane, trifluoro- anion	bf3-
1218	BF3+	boron trifluoride cation	bf3+
1219	BClF2	Chlorodifluoroborane	bclf2
1220	AlF2Cl	Aluminum chloride difluoride	alclf2
1221	ScF3	Scandium trifluoride	ScF3
1222	AlFCl2	Aluminum dichloride fluoride	alcl2f
1223	BCl3	Borane, trichloro-	bcl3
1224	BCl3+	Boron Trichloride cation	bcl3+
1225	GaF3	Gallium trifluoride	gaf3
1226	AlCl3	Aluminum trichloride	alcl3
1227	GaCl3	Gallium trichloride	gacl3
1228	BBr3	Boron tribromide	bbr3
1229	AlBr3	Aluminum Bromide	albr3
1230	ClO3	Chlorine trioxide	clo3
1231	ClO3-	chlorate anion	clo3-
1232	BrO3-	Bromate anion	bro3-
1233	CF3	Trifluoromethyl radical	cf3
1234	CF3-	Trifluoromethyl anion	cf3-
1235	CF3+	Trifluoromethyl cation	cf3+
1236	CF2Cl	difluorochloromethyl radical	cf2cl
1237	SiF3	Silicon trifluoride radical	sif3
1238	SiF3+	Silicon trifluoride cation	sif3+
1239	CFCl2	dichlorofluoromethyl radical	cfcl2
1240	CCl3	Trichloromethyl radical	ccl3
1241	CCl3-	Trichloromethyl anion	ccl3-
1242	CCl3+	Trichloromethyl cation	ccl3+
1243	SiCl3	trichlorosilyl radical	sicl3
1244	SiCl3+	trichlorosilyl cation	sicl3+
1245	CBr3	tribromomethyl radical	cbr3
1246	FOOF	Perfluoroperoxide	foof
1247	ClO2F	Chloryl fluoride	clo2f
1248	F2SO	Thionyl Fluoride	f2so
1249	ClOOCl	Dichlorine dioxide	cloocl
1250	FSSF	Difluorodisulfane	fssf
1251	S2F2	Thio-thionyl fluoride	s2f2
1252	SOCl2	thionyl chloride	socl2
1253	SSCl2	Thiothionyl chloride	sscl2
1254	SeOCl2	selenium oxychloride	seocl2
1255	NF3	Nitrogen trifluoride	nf3
1256	NF3-	Nitrogen trifluoride anion	nf3-
1257	NF3+	Nitrogen trifluoride cation	nf3+
1258	PF3	Phosphorus trifluoride	pf3
1259	NCl3	nitrogen trichloride	ncl3
1260	AsF3	Arsenic trifluoride	asf3
1261	PCl3	Phosphorus trichloride	pcl3
1262	SbF3	Antimony Trifluoride	sbf3
1263	AsCl3	Arsenous trichloride	ascl3
1264	SbCl3	Antimony Trichloride	sbcl3
1265	NBr3	Nitrogen Tribromide	nbr3
1266	PBr3	Phosphorus tribromide	pbr3
1267	AsBr3	Arsenic tribromide	asbr3
1268	NI3	Nitrogen triiodide	ni3
1269	PI3	Phosphorus triiodide	pi3
1270	ClSSCl	Disulfur dichloride	s2cl2
1271	SF3	Sulfur trifluoride	sf3
1272	ClF3	Chlorine trifluoride	clf3
1273	BrF3	Bromine trifluoride	brf3
1274	IF3	iodone trifluoride	if3
1275	HClO3	Chloric Acid	hclo3
1276	SiHF3	trifluorosilane	sihf3
1277	CDCl3	trichloromethane-d	cdcl3
1278	CHBrF2	Methane, bromodifluoro-	chbrf2
1279	SiHCl3	Trichlorosilane	sihcl3
1280	CHFClBr	fluorochlorobromomethane	chfclbr
1281	CHF2I	difluoroiodomethane	chf2i
1282	CHBr2F	dibromofluoromethane	chbr2f
1283	CHFClI	fluorochloroiodomethane	chfcli
1284	CHCl2I	dichloroiodomethane	chcl2i
1285	CHI3	Iodoform	chi3
1286	NF3H+	protonated nitrogen trifluoride	nf3h+
1287	AsF3H+	Arsenic trifluoride, protonated	asf3h+
1288	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1289	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1290	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
1291	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1292	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1293	C2H2Br2	1,1-dibromoethene	c2h2br2
1294	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1295	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1296	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1297	CH3COF	Acetyl fluoride	ch3cof
1298	C2H4F2	1,2-difluoroethane	c2h4f2
1299	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1300	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1301	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
1302	CH2CFCH3	2-fluoropropene	2fpro
1303	CH2CHCH2F	Allyl Fluoride	allylf
1304	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
1305	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
1306	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
1307	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
1308	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
1309	CH2FCH2CH3	1-Fluoropropane	prf1
1310	CH3CHFCH3	2-Fluoropropane	prf2
1311	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
1312	C3H9O+	trimethyl oxonium cation	c3h9o+
1313	B5H9	pentaborane9	b5h9
1314	C5H4	pentatetraene	ptrene
1315	C5H5	cyclopentadienyl radical	c5h5
1316	C5H5-	cylopentadienyl anion	c5h5-
1317	C5H6	1,3-Cyclopentadiene	c542927
1318	C5H6	3-Penten-1-yne, (E)-	c2004695
1319	C5H6	3-Penten-1-yne, (Z)-	c1574409
1320	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
1321	C5H6	Cyclopropylacetylene	c6746947
1322	C5H6	Propellane	propellane
1323	C5H7	1,3-pentadienyl radical	pdyl
1324	C5H7	cyclopentenyl radical	cpyl
1325	C5H8	1,2-Butadiene, 3-methyl-	c598254
1326	C5H8	1,2-Pentadiene	c591957
1327	C5H8	1,3-Pentadiene, (E)-	c2004708
1328	C5H8	1,3-Pentadiene, (Z)-	c1574410
1329	C5H8	1,4-Pentadiene	c591935
1330	C5H8	1-pentyne	a1pentyne
1331	C5H8	2,3-Pentadiene	c591968
1332	C5H8	Bicyclo[1.1.1]pentane	bcp
1333	C5H8	Cyclobutane, methylene-	c1120565
1334	C5H8	Ethenylcyclopropane	c693867
1335	CH3CCCH2CH3	2-Pentyne	2pentyne
1336	C5H10	1-Butene, 2-methyl-	c563462
1337	C5H10	2-Butene, 2-methyl-	c513359
1338	C5H10	2-Pentene, (E)-	c646048
1339	C5H10	2-Pentene, (Z)-	c627203
1340	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1341	C5H11	2-Methylbut-2-yl radical	c4348350
1342	C5H12	Propane, 2,2-dimethyl-	neopentane
1343	N2O3	Dinitrogen trioxide	n2o3
1344	C3H3N2	imidazolyl radical	im
1345	C3H3N2-	imidizolyl anion	im-
1346	C2H3N3	1H-1,2,4-Triazole	c288880
1347	C4H4N	pyrrolide radical	c4h4n
1348	C4H4N-	pyrrolide anion	c4h4n-
1349	C3H4N2	2H-Imidazole	imid2h
1350	C3H4N2	4H-Imidazole	imid4h
1351	C4H5N	(E)-2-Butenenitrile	c627269
1352	C4H5N	(Z)-2-Butenenitrile	c1190767
1353	C4H5N	2H-pyrrole	pyrrole2
1354	C4H5N	3H-pyrrole	pyrrole3
1355	C4H5N	Cyclopropanecarbonitrile	c5500210
1356	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1357	C4H6N+	pyrrole, alpha-protonated	appyr
1358	C4H6N+	pyrrole, beta-protonated	bppyr
1359	C4H6N+	pyrrole, protonated	ppyr
1360	C4H9N	Cyclobutylamine	cbam
1361	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1362	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1363	C3O2	Carbon suboxide	c3o2
1364	C3O2+	Carbon suboxide cation	c3o2+
1365	B2O3	diboron trioxide	b2o3
1366	MgCO3	Magnesium Carbonate	mgco3
1367	BeCO3	Beryllium Carbonate	beco3
1368	CaCO3	Calcium Carbonate	caco3
1369	ONONO	Nitrosyl nitrite	onono
1370	PO4---	phosphate	po4---
1371	SO4--	sulfate	so4--
1372	HOONO2	peroxy nitric acid	hoono2
1373	HSO4-	bisulfate anion	hso4-
1374	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1375	C3H2O2	Propiolic acid	c3h2o2
1376	CHOOCHO	diformyl ether	choocho
1377	H2SO4	Sulfuric acid	h2so4
1378	H2SeO4	Selenic acid	h2seo4
1379	C3H3NS	Thiazole	thiazole
1380	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1381	CH3NO3	Methyl nitrate	ch3no3
1382	H3PO4	Phosphoric Acid	h3po4
1383	C4H4O+	Furan cation	furan+
1384	CH3COCCH	3-butyn-2-one	c1423605
1385	C4H4Se	selenophene	c4h4se
1386	C3H4O2	propanedial	propanedial
1387	C3H4O2	propenalol	propenalol
1388	HOCHCCHOH	allenediol	aldiol
1389	C2H4O3	1,2,3-trioxolane	c2h4o3
1390	C2H4O3	trioxolane124	triox
1391	CH3OCH2CN	Methoxyacetonitrile	c1738369
1392	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1393	C4H6O	cis-2-butenal	butenal2c
1394	C4H6O	Cyclobutanone	cbutone
1395	C4H6O	Furan, 2,3-dihydro-	furan23h
1396	C4H6O	Furan, 2,5-dihydro-	furan25h
1397	CHOCHCHCH3	2-Butenal	butenal2
1398	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1399	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1400	CH2CHSCHCH2	Divinyl sulfide	divis
1401	C2H6N2O	Urea, methyl-	c598505
1402	C3H6O2	1,3-Dioxolane	dioxolane
1403	HCOOC2H5	Ethyl formate	faee
1404	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1405	C4H8O	Cyclobutanol	c2919235
1406	C4H8O	Furan, tetrahydro-	thf
1407	C3H8O2	1,3-Propanediol	c504632
1408	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1409	C3H8O2	Methane, dimethoxy-	c109875
1410	C4H10O	2-Butanol, (.+/-.)-	butanol2
1411	C4H10O	Methyl propyl ether	meopr
1412	C4H10O	Propane, 2-methoxy-	c598538
1413	C4H10O+	1-Butanol cation	butanol1+
1414	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
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	SiF4	Silicon tetrafluoride	sif4
1432	TiF4	Titanium tetrafluoride	tif4
1433	GeF4	Germanium tetrafluoride	gef4
1434	CCl4+	Carbon tetrachloride cation	ccl4+
1435	SiCl4	Silane, tetrachloro-	sicl4
1436	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1437	CF3I	trifluoroiodomethane	cf3i
1438	GeCl4	Germanium Tetrachloride	gecl4
1439	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1440	CBr2Cl2	dibromodichloromethane	cbr2cl2
1441	CCl3I	trichloroiodomethane	ccl3i
1442	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1443	CBr3Cl	tribromochloromethane	cbr3cl
1444	CF2I2	difluorodiiodomethane	cf2i2
1445	CBr4	Carbon tetrabromide	cbr4
1446	CCl2I2	dichlorodiiodomethane	ccl2i2
1447	SiBr4	Silicon tetrabromide	sibr4
1448	CBr3I	tribromoiododmethane	cbr3i
1449	GeBr4	Germanium tetrabromide	gebr4
1450	CI4	tetraiodomethane	ci4
1451	SiI4	silicon tetraiodide	sii4
1452	ClOF3	Chlorine trifluoride oxide	clof3
1453	SF4	Sulfur tetrafluoride	sf4
1454	SeF4	Selenium tetrafluoride	sef4
1455	SCl4	Sulfur tetrachloride	scl4
1456	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1457	HClO4	perchloric acid	hclo4
1458	HSO3F	Fluorosulfonic acid	hso3f
1459	CF3OH	trifluoromethanol	cf3oh
1460	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1461	CHClCCHCl	1,3-dichloroallene	chclcchcl
1462	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1463	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1464	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1465	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1466	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1467	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1468	NH3BCl3	Amminetrichloroboron	nh3bcl3
1469	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1470	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1471	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1472	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1473	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1474	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1475	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1476	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1477	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1478	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1479	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1480	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1481	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1482	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1483	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1484	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1485	C4H9F	1-fluorobutane	butaf1
1486	CH3CHFCH2CH3	2-fluorobutane	butaf2
1487	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1488	XeF4	Xenon tetrafluoride	xef4
1489	C2H2N2O	Furazan	furazan
1490	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1491	NH3BF3	Amminetrifluoroboron	nh3bf3
1492	C6H2	hexatriyne	c6h2
1493	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1494	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1495	C6H4	Benzyne	benzyne
1496	C6H5	phenyl	phenyl
1497	C6H5-	phenyl anion	phenyl-
1498	C6H6	Prismane	prismane
1499	C6H6	1,2,4,5-Hexatetraene	ht1245
1500	C6H6	2,4-Hexadiyne	hexadiyne
1501	C6H6	3,4-Dimethylenecyclobutene	cb34m
1502	C6H6	Benzvalene	bv
1503	C6H6	Dewar Benzene	dewar
1504	C6H6	Hexa-1,5-diene-3-yne	hdy153
1505	C6H6	Trimethylenecycopropane	tmcp
1506	C6H6+	Benzene cation	c6h6+
1507	C6H7+	benzene, protonated	c6h7+
1508	C6H8	(E)-hexa-1,3,5-triene	c821078
1509	C6H8	(E)-hexa-2,3,4-triene	c59660650
1510	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1511	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1512	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1513	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1514	C6H8	3-Methylenecyclopentene	c930267
1515	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1516	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1517	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1518	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1519	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1520	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1521	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1522	C6H10	1,5-Hexadiene	c592427
1523	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1524	C6H10	1-Hexyne	hexyne1
1525	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1526	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1527	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1528	C6H10	2-Hexyne	c764352
1529	C6H10	3-Hexyne	hexyne3
1530	C6H10	Cyclopentene, 1-methyl-	c693890
1531	C6H10	Cyclopentene, 3-methyl-	c1120623
1532	C6H10	Cyclopentene, 4-methyl-	c1759815
1533	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1534	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1535	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1536	C6H12	(E)-2-Hexene	e2hexene
1537	C6H12	(E)-3-methylpent-2-ene	c616126
1538	C6H12	(E)-hex-3-ene	e3hexene
1539	C6H12	(Z)-3-methylpent-2-ene	c922623
1540	C6H12	(Z)-hex-2-ene	z2hexene
1541	C6H12	(Z)-hex-3-ene	z3hexene
1542	C6H12	2,3-dimethylbut-1-ene	c563780
1543	C6H12	2,3-dimethyl-but-2-ene	tmeet
1544	C6H12	3-methylenepentane	c760214
1545	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1546	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1547	C6H12	Ethylcyclobutane	c4806615
1548	C6H12	hex-1-ene	hexene1
1549	C4N2	2-Butynedinitrile	c4n2
1550	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1551	C4H2N2	Fumaronitrile	c4h2n2
1552	C3H3N3	1,3,5-Triazine	triazine135
1553	CH3N5	5-Aminotetrazole	c4418615
1554	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1555	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1556	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1557	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1558	C5H5N	E-2,4-pentadienenitrile	bdcn
1559	B3N3H6	borazine	borazine
1560	C6H6	Fulvene	fulvene
1561	C5H6N+	Pyridinium	c5h6n
1562	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1563	C5H7N	(E)-2-Pentenenitrile	c26294984
1564	C5H7N	(E)-3-Pentenenitrile	c16529661
1565	C5H7N	(Z)-2-Pentenenitrile	c25899507
1566	C5H7N	Cyclobutanecarbonitrile	c4426113
1567	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1568	C5H9N	Butanenitrile, 2-methyl-	c18936179
1569	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1570	C5H11N	Cyclopentanamine	cypentam
1571	C5H11N	Piperidine	piper
1572	C4H12N2	1,2-Butanediamine	c4426486
1573	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1574	Li2CO3	Lithium Carbonate	li2co3
1575	Na2CO3	Sodium Carbonate	na2co3
1576	C2O4--	oxalate anion	c2o4
1577	MgSO4	Magnesium Sulfate	mgso4
1578	N2O4	Dinitrogen tetroxide	n2o4
1579	C3H2O3	vinylene carbonate	vica
1580	C2H3NO3	Oxamic acid	oxamic
1581	C4H4O2	2(5H)-Furanone	furanone
1582	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1583	C2H4N2O2	Oxalamide	oxalamide
1584	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1585	C3H4S3	1,3-Dithiolane-2-thione	c822388
1586	C2H4O4	Formic acid dimer	fadimer
1587	C4H5NO	3-Methylisoxazole	isox3m
1588	C4H5NO	Isoxazole, 5-methyl-	c5765446
1589	C4H5NS	4-Methylthiazole	c693958
1590	C2H5NO3	Nitric acid, ethyl ester	c625581
1591	C5H6O	2H-Pyran	pyran2
1592	C5H6O	2-methylfuran	furan2m
1593	C5H6O	3-Methylfuran	furan3m
1594	C5H6O	Pentadienal	pdal
1595	C5H6S	Thiophene, 2-methyl-	c554143
1596	C5H6S	Thiophene, 3-methyl-	c616444
1597	C4H6O2	γ–Butyrolactone	c96480
1598	C4H6O2	2,3-Butanedione	c431038
1599	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1600	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1601	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1602	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1603	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1604	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1605	C4H6OS	Vinyl sulfoxide	c1115157
1606	CH6N4S	Carbonothioic dihydrazide	thiacarb
1607	C2H6N2O2	(E)-Azodioxymethane	c37765154
1608	C2H6N2O2	Dimethylnitroamine	c4164287
1609	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1610	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1611	C4H7NO	2-Pyrrolidinone	c616455
1612	C4H7NO	Ethoxyacetonitrile	etoaccn
1613	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1614	C3H7ONO	Propyl nitrite	prono
1615	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1616	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1617	C5H8O	Methyl cyclopropyl ketone	c765435
1618	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1619	NH2CONHC2H5	Urea, ethyl-	c625525
1620	C4H8O2	1,3-Dioxane	dioxan13
1621	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1622	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1623	C4H8O2	Ethyl acetate	c141786
1624	C4H8OS	s-Ethyl thioacetate	c625605
1625	C3H8O2S	(Methylsulfonyl)ethane	c594434
1626	C4H9NO	Butanamide	c541355
1627	C4H9NO	Propanamide, 2-methyl-	c563837
1628	C5H10O	2-Butanone, 3-methyl-	c563804
1629	C5H10O	3-Pentanone	dek
1630	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1631	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1632	C5H10S	3-Ethylthio-1-propene	c5296628
1633	C5H10S	Cyclopentanethiol	c1679078
1634	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1635	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1636	C4H10O2	1,1-Dimethoxyethane	c534156
1637	C4H10S2	1,4-Butanedithiol	budisl14
1638	C4H11NO	Diethylhydroxylamine	c3710847
1639	C5H12O	2-Butanol, 3-methyl-	c598754
1640	C5H12O	2-Pentanol	peol2
1641	C5H12O	3-Pentanol	pentan3ol
1642	C5H12O	Butane, 1-methoxy-	meobu
1643	C5H12O	Propane, 1-ethoxy-	proet
1644	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1645	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1646	C5H12S	1-Butanethiol, 3-methyl-	c541311
1647	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1648	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1649	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1650	C5H12S	Butane, 1-(methylthio)-	c628295
1651	C5H12S	Ethyl propyl sulfide	c4110503
1652	C5H12S	Propane, 2-(ethylthio)-	c5145993
1653	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1654	C4F2	difluorobutadiyne	c4f2
1655	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1656	B2F4	Diboron tetrafluoride	b2f4
1657	B2Cl4	Diboron tetrachloride	b2cl4
1658	C2F4+	Tetrafluoroethylene cation	c2f4+
1659	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1660	C2FCl3	fluorotrichloroethene	c2fcl3
1661	C2Br4	tetrabromoethene	c2br4
1662	SiF5-	silicon pentafluoride anion	sif5-
1663	SOF4	Sulfur tetrafluoride oxide	sof4
1664	PF5	Phosphorus pentafluoride	pf5
1665	AsF5	Arsenic pentafluoride	asf5
1666	PCl5	Phosphorus pentachloride	pcl5
1667	SF5	Sulfur pentafluoride	sf5
1668	SF5+	pentafluoro sulfur cation	sf5+
1669	SbCl5	Antimony pentachloride	sbcl5
1670	BrF5	bromine pentafluoride	brf5
1671	ClF5	chlorinepentafluoride	clf5
1672	IF5	pentafluoroiodine	if5
1673	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1674	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1675	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1676	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1677	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1678	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1679	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1680	C4H3ClO	Furan, 2-chloro	fur2cl
1681	C4H3ClO	Furan,3-chloro	fur3cl
1682	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1683	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1684	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1685	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1686	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1687	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1688	C5H11Cl	Pentane, 1-chloro-	pencl1
1689	C4H8O2	Butanoic acid	bua
1690	C6H5CH2	benzyl radical	benzyl
1691	C7H7	cycloheptatrienyl radical	c7h7
1692	C7H7+	cycloheptatrienyl cation	c7h7+
1693	C7H8	cycloheptatriene	cht
1694	C7H8	Quadricyclane	qucy
1695	C7H16	2-methylhexane	2mhex
1696	C7H16	3-methylhexane	hex3m
1697	CH(CN)3	tricyanomethane	mecn3
1698	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1699	C6H7N	2-Methylpyridine	mp
1700	C6H13N	2-Methylpiperidine	pip2m
1701	N2O5	Dinitrogen pentoxide	n2o5
1702	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1703	C5H4O2	furfural	furfural
1704	C6H5O	phenoxy radical	phenoxy
1705	C5H5NO	2(1H)-Pyridinone	c72762006
1706	C5H5NO	2(3H)-Pyridinone	c9000048
1707	C5H5NO	2(5H)-Pyridinone	c9000037
1708	C5H5NO	3(2H)-Pyridinone	c9000004
1709	C5H5NO	3(4H)-Pyridinone	c9000026
1710	C5H5NO	3(6H)-Pyridinone	c9000015
1711	C5H5NO	4(1H)-Pryidinone	c9000060
1712	C5H5NO	4(3H)-Pryidinone	c9000059
1713	C5H5NO	4-Pyridinol	c626642
1714	C6H6O	2,4-Cyclohexadienone	c24599573
1715	C6H6O	2,5-Cyclohexadienone	c5664335
1716	C6H5SH	Benzenethiol	phsh
1717	C4H8O2S	Sulfolane	sulfolane
1718	C7H10	Norbornene	norbornene
1719	CH(C2H3)3	trivinyl methane	tvm
1720	C6H12O	hexanal	c6h12o
1721	C6H12O	Oxepane	oxepane
1722	F2CCCF2	tetrafluoroallene	pfa
1723	CF3COO-	trifluoro acetate anion	cf3coo-
1724	CF3COCl	trifluoroacetyl chloride	cf3cocl
1725	PF6	Hexafluorophosphate neutral	pf6
1726	PF6-	Hexafluorophosphate ion	pf6-
1727	SF6	Sulfur Hexafluoride	sf6
1728	SeF6	Selenium hexafluoride	sef6
1729	SF5Cl	sulfur chloropentafluoride	sf5cl
1730	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1731	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1732	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1733	CCl3CHCl2	pentachloroethane	ccl3chcl2
1734	C6H5F	Fluorobenzene	bzf
1735	C8H6	Calicene	calicene
1736	C6H5CCH	phenylacetylene	phac
1737	C8H6	benzocyclobutadiene	bcbd
1738	C8H8	cyclooctatetraene	cot
1739	CH3C6H4CH3	meta-xylene	mxylene
1740	CH3C6H4CH3	paraxylene	pxylene
1741	C8H16	cyclooctane	cyclooct
1742	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1743	C4O4--	squarate dianion	c4o4--
1744	S4N4	Tetrasulfur tetranitride	s4n4
1745	S8	Octasulfur	s8
1746	C4H4N2O2	Uracil	uracil
1747	C6H12O2	Methyl pivalate	c598981
1748	C4F4	tetrafluorcyclobutadiene	c4f4
1749	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1750	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1751	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1752	C2Cl6	hexachloroethane	c2cl6
1753	IF7	Iodine heptafluoride	if7
1754	C6H4F2	metadifluorobenzene	mdfb
1755	C6H4F2	1,4-difluorobenzene	pdfb
1756	C6H4Cl2	1,3-dichlorobenzene	dcb13
1757	C6H4Cl2	1,4-dichlorobenzene	dcb14
1758	C6H5NO	nitrosobenzene	bzno
1759	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1760	C(CN)4	tetracyanomethane	c5n4
1761	C8H7N	Indole	indole
1762	C3F6	hexafluoropropene	c3f6
1763	C6H3F3	Benzene trifluoride 123	bzf3a
1764	C8H18O	1-Octanol	octanol
1765	C10H10	bullvalene	bullv
1766	C6N4	Tetracyanoethylene	tcne
1767	C6N4-	tetracyanoethylene anion	tcne-
1768	C4F6	perfluorobutadiene	c4f6
1769	Fe(CO)5	Iron pentacarbonyl	ipc
1770	Fe(C5H5)2	ferrocene	fecp2
1771	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1772	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1773	C12H8	Acenaphthylene	acenaph
1774	S2F10	disulphur decafluoride	s2f10
1775	C13H10	Fluorene	fluorene
1776	C14H10	Phenanthrene	phenanthrene
1777	C14H14	Bibenzyl	bibenzyl
1778	C6H5COC6H5	benzophenone	benzophenone
1779	C18H12	Tetracene	tetracene
1780	C19H16	Triphenylmethane	tpm
1781	C60	Buckminsterfullerene	c60