ID	Formula	Compound Name	A	B	C	TMIN	TMAX
999	H20	Water	8.07131	1730.63	233.426	1	100
998	H20	Water	8.14019	1810.94	244.485	99	374
1	CCL4	carbon-tetrachloride	6.8941	1219.58	227.17	-20	101
2	CCL3F	trichlorofluoromethane	6.8843	1043.01	236.86	-33	27
3	CCL2F2	dichlorodifluoromethane	6.68619	782.072	235.377	-119	-30
4	CCLF3	chlorotrifluoromethane	6.35109	522.061	231.677	-150	-81
5	CF4	carbon-tetrafluoride	6.9723	540.5	260.1	-180	-125
6	CO	carbon-monoxide	6.2402	230.27	260.01	-210	-165
7	CO2	carbon-dioxide	9.8106	1347.79	273	-119	-69
8	COS	carbonyl-sulfide	6.90723	804.48	250	-111	-49
9	CS2	carbon-disulfide	6.9419	1168.62	241.54	-45	69
10	CHCL3	chloroform	6.9371	1171.2	227	-13	97
11	CHCL2F	dichlorofluoromethane	6.97575	996.267	234.172	-91	9
12	CHCLF2	chlorodifluoromethane	6.7577	740.39	231.86	-48	-33
13	CHF3	trifluoromethane	7.0886	705.33	249.78	-128	-82
14	CHI3	triiodomethane	6.59598	1567.8	204	137	254
16	CH2CL2	dichloromethane	7.0803	1138.91	231.46	-44	59
17	CH2CLF	chlorofluoromethane	6.20452	740.39	231.86	-55	12
18	CH2F2	difluoromethane	7.1389	821.7	244.7	-82	-32
19	CH2I2	diiodomethane	6.94246	1567.8	204	83	232
20	CH2O	formaldehyde	7.1561	957.24	243.01	-88	-2
21	CH2O2	formic-acid	7.3779	1563.28	247.07	-2	136
22	CH3BR	bromomethane	6.9597	986.59	238.33	-58	53
23	CH3CL	chloromethane	6.9944	902.45	243.61	-93	-7
24	CH3F	fluoromethane	7.0976	740.22	253.89	-132	-64
25	CH3I	iodomethane	6.988	1146.34	236.66	-13	52
26	CH3NO2	nitromethane	7.044	1291	209.01	5	136
29	CH4	methane	6.69561	405.42	267.777	-181	-152
30	CH4O	methanol	8.0724	1574.99	238.87	-16	91
31	CH4S	methanethiol	7.03163	1015.547	238.706	-70	25
32	CH5N	methylamine	7.4969	1079.15	240.24	-61	38
33	C2CL4	tetrachloroethene	7.02	1415.49	221.01	34	187
34	C2CL6	hexachloroethane	7.08633	1626.945	197.048	33	186
35	C2CL3F3	112trichlorotrifluoroethane	6.8803	1099.9	227.5	-25	83
36	C2CL2F4	12dichlorotetrafluoroethane	6.87084	942.336	232.632	-95	4
37	C2CLF5	chloropentafluoroethane	6.8333	802.97	242.28	-98	-43
38	C2F4	tetrafluoroethene	6.8966	683.84	245.94	-133	-63
39	C2F6	hexafluoroethane	6.7933	657.06	246.22	-103	-73
40	C2N2	cyanogen	6.43629	576.579	182.308	-77	-4
41	C2HCL3	trichloroethene	7.0281	1315.1	230.01	-13	127
42	C2HCL5	pentachloroethane	6.74	1378	197	25	162
43	C2HF3	trifluoroethene	5.68715	491.359	227.23	-93	-31
44	C2H2	acetylene(ethyne)	9.1402	1232.6	280.9	-129	-83
45	C2H2CL2	1,1-dichloroethene	6.9722	1099.4	237.2	-28	32
46	C2H2CL2	cis-1,2-dichloroethene	7.0223	1205.4	230.6	0	84
47	C2H2CL2	trans-1,2-dichloroethene	6.9651	1141.9	231.9	-38	85
48	C2H2CL4	1,1,2,2-tetrachloroethane	6.6317	1228.1	179.9	25	130
49	C2H2F2	1,1-difluoroethene	6.34918	491.359	227.239	-140	-86
50	C2H2F2	cis-1,2-difluoroethene	5.31401	491.359	227.23	-78	2.6
51	C2H2F2	trans-1,2-difluoroethene	5.31401	491.359	227.23	-78	2.6
52	C2H2O	ketene	6.9573	803.1	238.01	-103	-18
53	C2H3BR	bromoethylene	7.24379	1219.308	264.021	-88	16
54	C2H3CL	chloroethene	6.4971	783.4	230.01	-88	17
55	C2H3CL3	1,1,2-trichloroethane	6.9653	1351	217	29	155
56	C2H3CLO	acetyl-chloride	6.8407	1062.86	217.63	-36	82
57	C2H3F	fluoroethene	6.33949	593.551	243.111	-149	-72
58	C2H3F3	1,1,1-trifluoroethane	6.9038	788.21	243.24	-3	27
59	C2H3N	acetonitrile	7.0735	1279.2	224.01	-13	117
60	C2H4	ethylene	6.74756	585	255	-153	-91
61	C2H4BR2	1,2-dibromoethane	6.72148	1280.82	201.75	52	131
62	C2H4CL2	1,1-dichloroethane	6.9853	1171.42	228.13	-31	79
63	C2H4CL2	1,2-dichloroethane	7.0253	1271.25	222.94	-33	100
64	C2H4F2	1,1-difluoroethane	7.03	910	244	-35	0
65	C2H4I2	1,2-diiodoethane	6.98834	1647.1	201	98	253
66	C2H4O	ethylene-oxide	7.2701	1115.1	244.15	-73	37
67	C2H4O	acetaldehyde	7.0565	1070.6	236.01	-63	47
68	C2H4O2	acetic-acid	7.2996	1479.02	216.82	17	157
69	C2H4O2	methyl-formate	7.1704	1125.2	230.56	-48	51
70	C2H4OS	thioacetic-acid	7.74889	1479.02	216.82	40	106
71	C2H4S	thiacyclopropane	7.03725	1194.37	232.42	-35	77
72	C2H5BR	bromoethane	6.92	1090.81	231.72	-47	60
73	C2H5CL	chloroethane	6.94	1012.78	236.68	-73	37
74	C2H5F	fluoroethane	6.9785	854.21	246.16	-103	-21
75	C2H5I	iodoethane	6.959	1232	229	30	60
76	C2H5N	ethylenimine	7.1323	1133.7	210.01	-25	86
77	C2H5NO2	nitroethane	7.58777	1671.266	241.187	-21	114
78	C2H5NO3	ethyl-nitrate	7.1637	1338.8	224.9	0	60
79	C2H6	ethane	6.83452	663.7	256.47	-143	-75
80	C2H6O	methyl-ether	7.3164	1025.56	256.06	-94	-8
81	C2H6O	ethyl-alcohol	8.2133	1652.05	231.48	-3	96
82	C2H6O2	ethylene-glycol	8.7945	2615.4	244.91	91	221
83	C2H6S	methyl-sulfide	6.94879	1090.755	230.799	-47	58
84	C2H6S	ethanethiol	6.95206	1084.531	231.385	-49	56
85	C2H6S2	methyl-disulfide	6.97792	1346.342	218.863	6	135
86	C2H7N	ethylamine	7.3862	1137.3	235.86	-58	43
87	C2H7N	dimethylamine	7.0639	1024.4	238.01	-55	37
88	C3H3N	acrylonitrile	6.9163	1208.3	222.01	-18	112
89	C3H4	allene(propadiene)	5.7137	458.06	196.07	-99	-16
90	C3H4	propyne(methylacetylene)	6.78485	803.73	229.08	-90	-6
91	C3H4O2	acrylic-acid	7.1926	1441.5	193.01	42	177
92	C3H5BR	3-bromo-1-propene	7.05187	1259.83	232.04	17	93
93	C3H5CL	3-chloro-1-propene	6.9388	1099.6	226.01	-43	77
94	C3H5CL3	1,2,3-trichloropropane	7.0028	1484.1	204.01	42	197
95	C3H5I	3-iodo-1-propene	6.9693	1316.5	220	20	142
96	C3H5N	propionitrile	6.9301	1277.2	218.01	-3	132
97	C3H6	propene	6.8196	785	247	-112	-32
98	C3H6	cyclopropane	6.8879	856.01	246.51	-93	-28
99	C3H6BR2	1,2-dibromopropane	6.89105	1419.6	212	50	250
100	C3H6CL2	1,2-dichloropropane	6.9654	1296.4	221	15	135
101	C3H6CL2	1,3-dichloropropane	6.97186	1376.2	216	34	162
102	C3H6CL2	2,2-dichloropropane	6.9482	1201.1	226	-6	105
103	C3H6I2	1,2-diiodopropane	6.0765	1507.41	244.7	125	275
104	C3H6O	propylene-oxide	6.6546	915.31	208.29	-48	67
105	C3H6O	allyl-alcohol	7.3424	1271.7	188.01	13	127
106	C3H6O	propionaldehyde	7.0493	1154.8	229.01	-38	77
107	C3H6O	acetone	7.2316	1277.03	237.23	-32	77
108	C3H6S	thiacyclobutane	7.01667	1321.331	224.513	-5	120
109	C3H7BR	1-bromopropane	7.03766	1259.836	232.042	-53	71
110	C3H7BR	2-bromopropane	7.00463	1223.475	236.508	-62	60
111	C3H7CL	1-chloropropane	6.9311	1121.12	230.21	-43	77
112	C3H7CL	2-chloropropane	6.9654	1081.6	230.01	-48	67
113	C3H7F	1-fluoropropane	6.9533	965.18	239.5	-70	30
114	C3H7F	2-fluoropropane	7.07451	965.18	239.5	-49	8
115	C3H7I	1-iodopropane	7.22121	1507.41	244.701	-36	103
116	C3H7I	2-iodopropane	7.0167	1340.448	234.365	-43	90
117	C3H7NO2	1-nitropropane	7.1146	1467.45	215.23	59	131
118	C3H7NO2	2-nitropropane	7.48654	1664.036	240.995	-19	120
119	C3H7NO3	propyl-nitrate	7.73719	1721.723	245.49	0	70
120	C3H7NO3	isopropyl-nitrate	6.42006	1018.568	183.528	0	70
121	C3H8	propane	6.80398	803.81	246.99	-108	-25
122	C3H8O	ethyl-methyl-ether	5.8819	504.49	160.76	-68	37
123	C3H8O	propyl-alcohol	7.6192	1375.14	193.01	12	127
124	C3H8O	isopropyl-alcohol	8.1182	1580.92	219.62	0	101
125	C3H8S	ethyl-methyl-sulfide	6.93849	1182.562	224.784	-26	90
126	C3H8S	1-propanethiol	6.92846	1183.307	224.624	-25	91
127	C3H8S	2-propanethiol	6.87734	1113.895	226.157	-37	75
128	C3H9N	propylamine	6.9468	1108.2	224.01	-38	77
129	C3H9N	trimethylamine	6.9704	968.7	234.01	-58	32
130	C4F8	octafluorocyclobutane	6.8153	862.49	225.15	-32	1
131	C4H2	butadiyne(biacetylene)	5.51917	460.684	164.594	-78	0
132	C4H4	1buten3yne(vinylacetylene)	6.953	957	230.01	-73	32
133	C4H4O	furan	6.9753	1060.85	227.75	-35	90
134	C4H4S	thiophene	6.95926	1246.02	221.35	-12	108
135	C4H6	1,2-butadiene	6.99383	1041.117	242.274	-26	30
136	C4H6	1,3-butadiene	6.84999	930.546	238.854	-58	14
137	C4H6	1-butyne(ethylacetylene)	6.98198	988.75	233.01	-68	27
138	C4H6	2-butyne(dimethylacetylene)	7.07338	1101.71	235.81	-30	47
139	C4H6	cyclobutene	6.95769	1009.32	244.986	-77	2
140	C4H6O3	acetic-anhydride	7.1216	1427.77	198.05	35	164
141	C4H7N	butyronitrile	7.0396	1390.7	217	34	160
142	C4H7N	isobutyronitrile	7.21591	1390.7	217	49	127
143	C4H8	1-butene	6.8429	926.1	240	-81	13
144	C4H8	2-butene,cis	6.86926	960.1	237	-73	23
145	C4H8	2-butene,trans	6.86952	960.8	240	-76	20
146	C4H8	2-methylpropene	6.84134	923.2	240	-82	12
147	C4H8	cyclobutane	6.9163	1024.54	241.38	-73	17
148	C4H8BR2	1,2-dibromobutane	7.25696	1759.076	235.009	8	166
149	C4H8BR2	2,3-dibromobutane	7.20023	1691.481	230.223	5	161
150	C4H8I2	1,2-diiodobutane	6.2433	1507.41	244.7	110	246
151	C4H8O	butyraldehyde	7.0212	1233	223.01	-18	107
152	C4H8O	2-butanone	7.2087	1368.21	236.51	-16	103
153	C4H8O2	p-dioxane	7.0063	1288.5	211.01	2	137
154	C4H8O2	ethyl-acetate	7.0146	1211.9	216.01	-13	112
155	C4H8S	thiacyclopentane	6.9954	1401.939	219.607	14	147
156	C4H9BR	1-bromobutane	6.92254	1298.608	219.7	19	141
157	C4H9BR	2-bromobutane	6.82724	1229.08	220	10	146
158	C4H9BR	2-bromo-2-methylpropane	6.6685	1129.7	225	-7	110
159	C4H9CL	1-chlorobutane	6.9379	1227.43	224.11	-18	112
160	C4H9CL	2-chlorobutane	6.9447	1195.8	226.01	-23	102
161	C4H9CL	1-chloro-2-methylpropane	6.95304	1205.079	227.046	-54	69
162	C4H9CL	2-chloro-2-methylpropane	6.8671	1114.9	229.01	-38	87
163	C4H9I	2-iodo-2-methylpropane	7.2539	1507.41	244.7	42	124
164	C4H9N	pyrrolidine	6.9246	1179.99	205.26	27	127
165	C4H9NO2	1-nitrobutane	6.86715	1467.45	215.23	86	182
166	C4H9NO2	2-nitrobutane	7.25197	1664.03	240.99	75	167
167	C4H10	butane	6.80896	935.86	238.73	-78	19
168	C4H10	2-methylpropane(isobutane)	6.91048	946.35	246.68	-87	7
169	C4H10O	ethyl-ether	6.92032	1064.07	228.8	-61	20
170	C4H10O	methyl-propyl-ether	6.1186	708.69	179.9	0	39
171	C4H10O	methyl-isopropyl-ether	6.24495	708.69	179.9	-12	51
172	C4H10O	butyl-alcohol	7.4768	1362.39	178.73	15	131
173	C4H10O	sec-butyl-alcohol	7.4743	1314.19	186.51	25	120
174	C4H10O	tert-butyl-alcohol	7.3199	1154.48	177.66	20	103
175	C4H10S	ethylsulfide	6.92836	1257.833	218.662	-6	117
176	C4H10S	isopropyl-methyl-sulfide	6.90196	1232.17	221.67	-13	109
177	C4H10S	methyl-propyl-sulfide	6.95545	1284.32	219.66	-4	120
178	C4H10S	1-butanethiol	6.92754	1281.018	218.1	-2	123
179	C4H10S	2-butanethiol	6.88698	1229.904	222.021	-13	109
180	C4H10S	2-methyl-1-propanethiol	6.88746	1237.282	220.313	-10	113
181	C4H10S	2-methyl-2-propanethiol	6.78781	1115.565	221.314	1	87
182	C4H10S2	ethyl-disulfide	6.97507	1485.97	208.958	40	182
183	C4H11N	butylamine	7.213	1308.4	224.2	-14	100
184	C4H11N	sec-butylamine	7.15069	1238.3	227	-9	98
185	C4H11N	tert-butylamine	6.78309	993.262	210.493	19	75
186	C4H11N	diethylamine	6.9724	1127	220.01	-31	77
187	C5H5N	pyridine	6.9882	1344.2	212.01	12	152
188	C5H6S	2-methylthiophene	6.93897	1326.48	214.31	9	138
189	C5H6S	3-methylthiophene	6.98611	1363.84	216.78	11	141
190	C5H8	1,2-pentadiene	6.9182	1104.991	228.851	-20	66
191	C5H8	1,3-pentadiene,cis	6.91089	1101.923	229.367	-17	65
192	C5H8	1,3-pentadiene,trans	6.91317	1103.84	231.724	-16	63
193	C5H8	1,4-pentadiene	6.83543	1017.995	231.461	-33	46
194	C5H8	2,3-pentadiene	6.96216	1126.837	227.841	-13	69
195	C5H8	3-methyl-1,2-butadiene	6.9435	1103.901	230.89	-20	62
196	C5H8	2-methyl-1,3-butadiene	6.88564	1071.578	233.513	-18	55
197	C5H8	1-pentyne	6.9673	1092.52	227.19	-43	62
198	C5H8	2-pentyne	7.04614	1189.87	229.6	-33	78
199	C5H8	3-methyl-1-butyne	6.8848	1014.81	227.11	-55	47
200	C5H8	cyclopentene	6.9207	1121.81	233.46	-29	105
201	C5H8	spiropentane	6.917	1090.08	231.1	3	71
202	C5H10	1-pentene	6.8465	1044.895	233.516	-55	51
203	C5H10	2-pentene,cis	6.87274	1067.951	230.585	-49	58
204	C5H10	2-pentene,trans	6.90575	1083.987	232.965	-49	58
205	C5H10	2-methyl-1-butene	6.87314	1053.78	232.788	-53	52
206	C5H10	3-methyl-1-butene	6.82618	1013.474	236.816	-63	41
207	C5H10	2-methyl-2-butene	6.91562	1095.088	232.842	-48	60
208	C5H10	cyclopentane	6.88676	1124.162	231.361	-40	72
209	C5H10BR2	2,3-dibromo-2-methylbutane	7.36735	1695.9	207	81	218
210	C5H10O	valeraldehyde	7.0192	1316	215.01	4	139
211	C5H10O	2-pentanone	6.95	1274.6	210.91	2	137
212	C5H10S	thiacyclohexane	6.90518	1422.47	211.72	29	170
213	C5H10S	cyclopentanethiol	6.91497	1388.63	212.05	81	173
214	C5H11BR	1-bromopentane	6.9558	1401.634	214.38	41	173
215	C5H11CL	1-chloropentane	6.96617	1332.89	218.5	24	148
216	C5H11CL	1-chloro-3-methylbutane	6.79527	1258.5	223	39	124
217	C5H11CL	2-chloro-2-methylbutane	6.95902	1258.5	223	7	123
218	C5H12	pentane	6.87632	1075.78	233.205	-50	58
219	C5H12	2-methylbutane(isopentane)	6.83315	1040.73	235.445	-57	49
220	C5H12	2,2-dimethypropane	6.60427	883.42	227.782	-13	29
221	C5H12O	methyl-tert-butyl-ether	5.896	708.69	179.9	2	80
222	C5H12O	pentyl-alcohol	7.1776	1314.56	168.16	37	138
223	C5H12O	tert-pentyl-alcohol	7.8753	1604.7	208.16	55	133
224	C5H12S	butyl-methyl-sulfide	6.94583	1363.808	212.074	17	150
225	C5H12S	ethyl-propyl-sulfide	6.9338	1341.57	212.51	14	145
226	C5H12S	2-methyl-2-butanethiol	6.82837	1254.885	218.759	-3	125
227	C5H12S	1-pentanethiol	6.93311	1369.479	211.314	20	153
228	C6CL6	hexachlorobenzene	9.78602	4597.57	355.961	114	309
229	C6F6	hexafluorobenzene	7.033	1227.98	215.5	-3	117
230	C6H4CL2	o-dichlorobenzene	7.0703	1649.55	213.32	58	210
231	C6H4CL2	m-dichlorobenzene	7.3037	1782.4	230.01	53	202
232	C6H4CL2	p-dichlorobenzene	6.998	1575.11	208.52	54	204
233	C6H4F2	m-difluorobenzene	7.06582	1310.27	222.58	36	114
234	C6H4F2	o-difluorobenzene	7.02031	1310.271	222.587	31	130
235	C6H4F2	p-difluorobenzene	7.08812	1310.27	222.58	34	112
236	C6H5BR	bromobenzene	6.8606	1438.82	205.45	47	177
237	C6H5CL	chlorobenzene	6.9781	1431.05	217.56	47	147
238	C6H5F	fluorobenzene	7.187	1381.83	235.57	-23	97
239	C6H5I	iodobenzene	7.0119	1640.13	208.78	17	197
240	C6H6	benzene	6.90565	1211.033	220.79	-16	104
241	C6H6O	phenol	7.1345	1516.07	174.57	72	208
242	C6H6S	benzenethiol	6.99019	1529.454	203.048	52	198
243	C6H7N	2-picoline	7.0324	1415.73	211.58	79	169
244	C6H7N	3-picoline	7.0502	1481.77	211.21	74	185
245	C6H7N	aniline	7.2418	1675.3	200.01	67	227
246	C6H10	1-hexyne	6.91212	1194.6	225	-8	118
247	C6H10	cyclohexene	6.8724	1221.9	223.18	27	87
248	C6H10	1-methylcyclopentene	6.86884	1199.6	225	-5	130
249	C6H10	3-methylcyclopentene	6.87259	1165.6	227	-10	119
250	C6H10	4-methylcyclopentene	6.87015	1197.6	225	-2	130
251	C6H10O	cyclohexanone	6.97851	1495.58	209.559	90	166
252	C6H12	1-hexene	6.86572	1152.971	225.849	-29	87
253	C6H12	2-hexene,cis	7.03805	1258.571	233.851	-25	92
254	C6H12	2-hexene,trans	6.89342	1173.343	224.53	-25	91
255	C6H12	3-hexene,cis	6.87854	1164.134	224.749	-27	90
256	C6H12	3-hexene,trans	6.9178	1180.707	225.384	-26	90
257	C6H12	2-methyl-1-pentene	6.8503	1138.516	224.704	-30	85
258	C6H12	3-methyl-1-pentene	6.75523	1086.316	226.204	-37	77
259	C6H12	4-methyl-1-pentene	6.83529	1121.302	229.687	-38	77
260	C6H12	2-methyl-2-pentene	6.92367	1183.837	225.514	-26	90
261	C6H12	3-methyl-2-pentene,cis	6.91073	1186.402	226.696	-26	91
262	C6H12	3-methyl-2-pentene,trans	6.92634	1194.527	224.833	-23	94
263	C6H12	4-methyl-2-pentene,cis	6.84129	1120.707	226.586	-35	79
264	C6H12	4-methyl-2-pentene,trans	6.8803	1142.874	227.143	-33	81
265	C6H12	2-ethyl-1-butene	6.99712	1218.352	231.3	-28	88
266	C6H12	2,3-dimethyl-1-butene	6.86236	1134.675	229.367	-36	78
267	C6H12	3,3-dimethyl-1-butene	6.67751	1010.516	224.909	-47	64
268	C6H12	2,3-dimethyl-2-butene	6.95058	1215.428	225.443	-21	97
269	C6H12	cyclohexane	6.8413	1201.531	222.647	6	105
270	C6H12	methylcyclopentane	6.86283	1186.059	226.042	-24	96
271	C6H12O	cyclohexanol	6.2553	912.87	109.13	94	161
272	C6H12O	hexanal	6.71442	1316	215.01	64	156
273	C6H12S	thiacycloheptane	6.90523	1422.47	211.72	78	169
274	C6H14	hexane	6.87024	1168.72	224.21	-25	92
275	C6H14	2-methylpentane	6.8391	1135.41	226.572	-32	83
276	C6H14	3-methylpentane	6.81887	1152.368	227.129	-29	89
277	C6H14	2,2-dimethylbutane	6.75483	1081.176	229.343	-41	73
278	C6H14	2,3-dimethylbutane	6.80983	1127.187	228.9	-35	81
279	C6H14O	propyl-ether	6.9476	1256.5	219	26	89
280	C6H14O	isopropyl-ether	7.0971	1257.6	230.01	-24	91
281	C6H14O	hexyl-alcohol	7.8604	1761.26	196.67	35	157
282	C6H14S	butyl-ethyl-sulfide	6.94102	1421.32	205.81	33	172
283	C6H14S	isopropyl-sulfide	6.87118	1327.12	212.55	13	147
284	C6H14S	methyl-pentyl-sulfide	7.11609	1413.44	205.73	70	153
285	C6H14S	propyl-sulfide	6.93577	1413.44	205.73	32	170
286	C6H14S	1-hexanethiol	6.94664	1454.004	204.954	40	181
287	C6H14S2	propyl-disulfide	6.97529	1603.793	195.848	73	226
288	C6H15N	triethylamine	6.8989	1251.8	222.01	-13	127
289	C7H5F3	a,a,a-trifluorotoluene	6.97045	1306.35	217.38	55	139
290	C7H5N	benzonitrile	7.72911	2110.572	244.819	28	191
291	C7H6O2	benzoic-acid	7.454	1820	147.96	132	287
292	C7H7F	p-fluorotoluene	6.99426	1374.055	217.4	68	155
293	C7H8	toluene	6.95464	1344.8	219.482	6	136
294	C7H8	1,3,5-cycloheptatriene	6.97433	1376.84	220.75	0	65
295	C7H8O	m-cresol	7.508	1856.36	199.07	97	207
296	C7H8O	o-cresol	6.9117	1435.5	165.16	97	207
297	C7H8O	p-cresol	7.0351	1511.08	161.86	97	207
298	C7H12	1-heptyne	6.68593	1216.6	220	14	142
299	C7H14	1-heptene	6.90069	1257.505	219.179	-6	118
300	C7H14	cycloheptane	6.8539	1331.57	216.36	57	162
301	C7H14	ethylcyclopentane	6.88709	1298.599	220.675	-3	129
302	C7H14	1,1-dimethylcyclopentane	6.81724	1219.474	221.946	-12	113
303	C7H14	c-1,2-dimethylcyclopentane	6.85008	1269.14	220.209	-3	125
304	C7H14	t-1,2-dimethylcyclopentane	6.84422	1242.748	221.686	-9	117
305	C7H14	c-1,3-dimethylcyclopentane	6.83715	1237.456	222.005	-10	116
306	C7H14	t-1,3-dimethylcyclopentane	6.83817	1240.023	221.621	-9	117
307	C7H14	methylcyclohexane	6.823	1270.763	221.416	-3	127
308	C7H14O	heptanal	5.47587	686.453	111.817	12	155
309	C7H16	heptane	6.89385	1264.37	216.636	-2	123
310	C7H16	2-methylhexane	6.87318	1236.026	219.545	-9	115
311	C7H16	3-methylhexane	6.86764	1240.196	219.223	-8	117
312	C7H16	3-ethylpentane	6.87564	1251.827	219.887	-7	118
313	C7H16	2,2-dimethylpentane	6.8148	1190.033	223.303	-19	104
314	C7H16	2,3-dimethylpentane	6.85382	1238.017	221.823	-10	115
315	C7H16	2,4-dimethylpentane	6.82621	1192.041	221.634	-17	105
316	C7H16	3,3-dimethylpentane	6.82667	1228.663	225.316	-14	111
317	C7H16	2,2,3-trimethylbutane	6.7923	1200.563	226.05	-19	106
318	C7H16O	isopropyl-tert-butyl-ether	6.62913	1257.6	230.01	41	134
319	C7H16O	heptyl-alcohol	6.6476	1140.64	126.56	60	176
320	C7H16S	butyl-propyl-sulfide	6.65279	1421.32	205.81	99	203
321	C7H16S	ethyl-pentyl-sulfide	6.65279	1421.32	205.81	99	203
322	C7H16S	hexyl-methyl-sulfide	6.65279	1421.32	205.81	99	203
323	C7H16S	1-heptanethiol	6.95249	1525.311	197.696	59	206
324	C8H6	ethynylbenzene	6.957	1445.58	209.44	82	172
325	C8H8	styrene	6.9571	1445.58	209.44	32	187
326	C8H8	1,3,5,7-cyclooctatetraene	7.00669	1472.11	215.84	0	75
327	C8H10	ethylbenzene	6.95719	1424.255	213.206	26	163
328	C8H10	m-xylene	7.00908	1462.266	215.105	28	166
329	C8H10	o-xylene	6.99891	1474.679	213.686	32	172
330	C8H10	p-xylene	6.99052	1453.43	215.307	27	166
331	C8H14	1-octyne	7.02447	1413.8	215	25	170
332	C8H16	1-octene	6.93263	1353.486	212.764	15	148
333	C8H16	cyclooctane	6.8619	1437.78	209.98	94	197
334	C8H16	propylcyclopentane	6.90392	1384.386	213.159	21	158
335	C8H16	ethylcyclohexane	6.86728	1382.466	214.995	21	160
336	C8H16	1,1-dimethylcyclohexane	6.79821	1321.705	217.845	10	147
337	C8H16	c-1,2-dimethylcyclohexane	6.83746	1367.311	215.835	18	158
338	C8H16	t-1,2-dimethylcyclohexane	6.83308	1353.881	219.132	13	151
339	C8H16	c-1,3-dimethylcyclohexane	6.83883	1338.473	218.072	11	147
340	C8H16	t-1,3-dimethylcyclohexane	6.83455	1343.687	215.394	15	152
341	C8H16	c-1,4-dimethylcyclohexane	6.83287	1345.613	216.154	15	152
342	C8H16	t-1,4-dimethylcyclohexane	6.81773	1330.437	218.581	10	147
343	C8H16O	octanal	12.51168	3977.531	244.532	73	169
344	C8H18	octane	6.9094	1349.82	209.385	19	152
345	C8H18	2-methylheptane	6.91735	1337.468	213.693	12	144
346	C8H18	3-methylheptane	6.89944	1331.53	212.414	13	145
347	C8H18	4-methylheptane	6.90065	1327.661	212.568	12	144
348	C8H18	3-ethylhexane	6.89098	1327.884	212.595	13	145
349	C8H18	2,2-dimethylhexane	6.83715	1273.594	215.072	3	133
350	C8H18	2,3-dimethylhexane	6.87004	1315.503	214.157	10	142
351	C8H18	2,4-dimethylhexane	6.85305	1287.876	214.79	5	135
352	C8H18	2,5-dimethylhexane	6.85984	1287.274	214.412	5	135
353	C8H18	3,3-dimethylhexane	6.85121	1307.882	217.439	6	138
354	C8H18	3,4-dimethylhexane	6.87986	1330.035	214.863	11	144
355	C8H18	3-ethyl-2-methylpentane	6.86358	1318.12	215.306	9	142
356	C8H18	3-ethyl-3-methylpentane	6.86731	1347.209	219.684	10	145
357	C8H18	2,2,3-trimethylpentane	6.82546	1294.875	218.42	4	136
358	C8H18	2,2,4-trimethylpentane	6.81189	1257.84	220.735	-4	125
359	C8H18	2,3,3-trimethylpentane	6.84353	1328.046	220.375	7	142
360	C8H18	2,3,4-trimethylpentane	6.85396	1315.084	217.526	7	140
361	C8H18	2,2,3,3-tetramethylbutane	6.87665	1329.93	226.36	103	133
362	C8H18O	butyl-ether	6.9825	1431.5	207.01	32	182
363	C8H18O	sec-butyl-ether	6.79153	1348.53	223.79	57	149
364	C8H18O	tert-butyl-ether	6.93294	1348.533	223.79	4	109
365	C8H18O	octyl-alcohol	6.837	1310.62	136.06	70	195
366	C8H18S	butyl-sulfide	6.54589	1421.32	205.81	106	215
367	C8H18S	ethyl-hexyl-sulfide	6.42693	1421.32	205.81	115	231
368	C8H18S	heptyl-methyl-sulfide	6.42693	1421.32	205.81	115	231
369	C8H18S	pentyl-propyl-sulfide	6.42693	1421.32	205.81	115	231
370	C8H18S	1-octanethiol	6.96909	1593	190.61	76	229
371	C8H18S2	butyl-disulfide	6.9638	1684.1	181.3	101	263
372	C9H10	alpha-methylstyrene	7.0924	1582.7	206.01	75	220
373	C9H10	propenylbenzene,cis	7.44961	1909.083	238.874	18	179
374	C9H10	propenylbenzene,trans	7.54993	1909.08	238.87	105	197
375	C9H10	m-methylstyrene	6.87928	1471.44	200	72	250
376	C9H10	o-methylstyrene	6.88461	1485.41	200	75	255
377	C9H10	p-methylstyrene	7.0112	1535.1	200.7	68	170
378	C9H12	propylbenzene	6.95142	1491.297	207.14	43	188
379	C9H12	cumene	6.93666	1460.793	207.777	38	181
380	C9H12	m-ethyltoluene	7.01582	1529.184	208.509	46	190
381	C9H12	o-ethyltoluene	7.00314	1535.374	207.3	48	194
382	C9H12	p-ethyltoluene	6.99802	1527.113	208.921	46	191
383	C9H12	1,2,3-trimethylbenzene	7.04082	1593.958	207.078	57	205
384	C9H12	1,2,4-trimethylbenzene	7.04383	1573.267	208.564	52	198
385	C9H12	mesitylene	7.07436	1569.622	209.578	49	193
386	C9H16	1-nonyne	6.7741	1404.7	210	50	223
387	C9H18	1-nonene	6.95387	1435.359	205.535	36	174
388	C9H18	butylcyclopentane	6.89935	1457.08	205.99	41	185
389	C9H18	propylcyclohexane	6.88646	1460.8	207.939	40	186
390	C9H18	c-c-135trimethylcyclohexane	7.09743	1460.8	207.93	78	164
391	C9H18	c-t-135trimethylcyclohexane	7.07274	1460.8	207.93	80	166
392	C9H18O	nonanal	7.81505	2036.854	227.486	33	185
393	C9H20	nonane	6.9344	1429.46	201.82	39	179
394	C9H20	2-methyloctane	6.91191	1398.42	203.65	33	171
395	C9H20	3-methyloctane	6.9092	1405.8	204.76	33	172
396	C9H20	4-methyloctane	6.90318	1399.12	205.41	32	170
397	C9H20	3-ethylheptane	6.90489	1406.5	206.5	32	171
398	C9H20	4-ethylheptane	6.89898	1399.8	207.2	30	169
399	C9H20	2,2-dimethylheptane	6.88174	1363.91	208.21	24	160
400	C9H20	2,3-dimethylheptane	6.87635	1389.5	207.3	29	168
401	C9H20	2,4-dimethylheptane	6.90252	1368.72	207.44	24	160
402	C9H20	2,5-dimethylheptane	6.89317	1375.4	206.8	27	163
403	C9H20	2,6-dimethylheptane	6.89385	1368	205.68	26	162
404	C9H20	3,3-dimethylheptane	6.87553	1385.36	209.79	26	165
405	C9H20	3,4-dimethylheptane	6.88359	1396.9	208.4	29	168
406	C9H20	3,5-dimethylheptane	6.90164	1382.8	207.9	26	163
407	C9H20	4,4-dimethylheptane	6.86968	1378.7	210.4	24	163
408	C9H20	3-ethyl-2-methylhexane	6.8869	1390.2	209	27	166
409	C9H20	4-ethyl-2-methylhexane	6.9003	1376.1	208.6	25	161
410	C9H20	3-ethyl-3-methylhexane	6.87787	1406.8	211.4	28	169
411	C9H20	3-ethyl-4-methylhexane	6.8943	1404.3	209.5	29	168
412	C9H20	2,2,3-trimethylhexane	6.86574	1375.72	211.63	23	161
413	C9H20	2,2,4-trimethylhexane	6.84922	1340.9	211.35	18	154
414	C9H20	2,2,5-trimethylhexane	6.83531	1324.049	210.737	16	151
415	C9H20	2,3,3-trimethylhexane	6.85417	1389.79	212.1	25	166
416	C9H20	2,3,4-trimethylhexane	6.85274	1387.22	210.22	27	167
417	C9H20	2,3,5-trimethylhexane	6.87078	1359.09	209.29	22	159
418	C9H20	2,4,4-trimethylhexane	6.85163	1368.723	214.047	20	158
419	C9H20	3,3,4-trimethylhexane	6.85761	1403.88	212.56	27	169
420	C9H20	3,3-diethylpentane	6.89262	1451.245	215.575	31	175
421	C9H20	3-ethyl-2,2-dimethylpentane	6.87166	1383.13	212.75	23	162
422	C9H20	3-ethyl-2,3-dimethylpentane	6.84463	1418	213	30	174
423	C9H20	3-ethyl-2,4-dimethylpentane	6.85293	1380.54	210.87	25	165
424	C9H20	2,2,3,3-tetramethylpentane	6.82876	1397.483	213.703	26	169
425	C9H20	2,2,3,4-tetramethylpentane	6.83173	1374.042	214.762	21	161
426	C9H20	2,2,4,4-tetramethylpentane	6.7971	1325.183	216.093	13	150
427	C9H20	2,3,3,4-tetramethylpentane	6.85961	1417.473	214.705	27	170
428	C9H20O	nonyl-alcohol	6.6757	1276.63	123.06	90	214
429	C9H20S	butyl-pentyl-sulfide	6.23448	1421.32	205.81	129	258
430	C9H20S	ethyl-heptyl-sulfide	6.23448	1421.32	205.81	129	258
431	C9H20S	hexyl-propyl-sulfide	6.23448	1421.32	205.81	129	258
432	C9H20S	methyl-octyl-sulfide	6.23448	1421.32	205.81	129	258
433	C9H20S	1-nonanethiol	6.9839	1655.6	183.7	93	251
434	C10H8	naphthalene	7.01065	1733.71	201.859	87	250
435	C10H8	azulene	6.7868	1733.71	201.85	160	278
436	C10H14	butylbenzene	6.98317	1577.965	201.378	62	213
437	C10H14	m-diethylbenzene	7.0036	1575.31	200.96	61	211
438	C10H14	o-diethylbenzene	6.9878	1576.94	200.51	63	213
439	C10H14	p-diethylbenzene	6.9982	1588.31	201.97	63	214
440	C10H14	1,2,3,4-tetramethylbenzene	7.0594	1690.54	199.48	80	236
441	C10H14	1,2,3,5-tetramethylbenzene	7.0779	1675.43	201.14	75	228
442	C10H14	1,2,4,5-tetramethylbenzene	7.08	1672.43	201.43	74	227
443	C10H18	1-decyne	7.1087	1606.6	206	78	246
444	C10H18	decahydronaphthalene,cis	6.87529	1594.46	203.392	68	228
445	C10H18	decahydronaphthalene,trans	6.85681	1564.683	206.259	61	219
446	C10H20	1-decene	6.96034	1501.872	197.578	54	199
447	C10H20	1-cyclopentylpentane	6.9414	1540.6	198.8	60	210
448	C10H20	butylcyclohexane	6.9103	1538.518	200.833	59	211
449	C10H20O	decanal	8.20794	2378.316	237.905	52	209
450	C10H22	decane	6.96375	1508.75	195.374	58	203
451	C10H22	2-methylnonane	6.93372	1472.73	196.38	52	196
452	C10H22	3-methylnonane	6.92975	1479.1	197.5	52	197
453	C10H22	4-methylnonane	6.92234	1471	198.3	50	194
454	C10H22	5-methylnonane	6.91878	1468.4	198.5	50	194
455	C10H22	3-ethyloctane	6.91845	1477.4	199.4	50	195
456	C10H22	4-ethyloctane	6.90922	1466.68	200.44	48	192
457	C10H22	2,2-dimethyloctane	6.90617	1439.6	200.7	43	185
458	C10H22	2,3-dimethyloctane	6.89449	1462.22	200	48	193
459	C10H22	2,4-dimethyloctane	6.92146	1439.8	200.4	43	184
460	C10H22	2,5-dimethyloctane	6.90263	1442.5	200.2	44	187
461	C10H22	2,6-dimethyloctane	6.93331	1450.53	199.4	45	187
462	C10H22	2,7-dimethyloctane	6.91326	1444.19	198.27	46	188
463	C10H22	3,3-dimethyloctane	6.88895	1457.6	202.5	45	190
464	C10H22	3,4-dimethyloctane	6.89926	1465.9	201.4	47	192
465	C10H22	3,5-dimethyloctane	6.89758	1448.8	201.3	44	188
466	C10H22	3,6-dimethyloctane	6.91284	1456.9	200.5	46	189
467	C10H22	4,4-dimethyloctane	6.88891	1446.9	203.5	42	186
468	C10H22	4,5-dimethyloctane	6.89288	1460.52	201.9	46	191
469	C10H22	4-propylheptane	6.9471	1458.7	201.2	44	186
470	C10H22	4-isopropylheptane	6.88757	1449.8	202.9	43	188
471	C10H22	3-ethyl-2-methylheptane	6.89294	1457.9	202.2	45	190
472	C10H22	4-ethyl-2-methylheptane	6.892	1438.2	202.3	42	185
473	C10H22	5-ethyl-2-methylheptane	6.89424	1448.8	201.3	44	188
474	C10H22	3-ethyl-3-methylheptane	6.88063	1472.9	204.5	46	193
475	C10H22	4-ethyl-3-methylheptane	6.88689	1464.2	203.3	45	191
476	C10H22	3-ethyl-5-methylheptane	6.91593	1455.2	202.4	44	187
477	C10H22	3-ethyl-4-methylheptane	6.88827	1466.8	203	46	192
478	C10H22	4-ethyl-4-methylheptane	6.88302	1464.9	205.2	44	190
479	C10H22	2,2,3-trimethylheptane	6.87507	1446.1	204.4	42	187
480	C10H22	2,2,4-trimethylheptane	6.87525	1409.4	204.5	35	177
481	C10H22	2,2,5-trimethylheptane	6.87855	1417.4	203.8	37	179
482	C10H22	2,2,6-trimethylheptane	6.89454	1411.09	202.63	37	177
483	C10H22	2,3,3-trimethylheptane	6.87202	1457.8	205	43	189
484	C10H22	2,3,4-trimethylheptane	6.87417	1451.7	203.6	44	189
485	C10H22	2,3,5-trimethylheptane	6.8399	1440	203	44	190
486	C10H22	2,3,6-trimethylheptane	6.88668	1433.7	201.9	42	184
487	C10H22	2,4,4-trimethylheptane	6.86062	1418.4	205.4	37	180
488	C10H22	2,4,5-trimethylheptane	6.87583	1437.3	203.3	41	185
489	C10H22	2,4,6-trimethylheptane	6.91395	1411.3	202.3	36	175
490	C10H22	2,5,5-trimethylheptane	6.88204	1429.09	204.36	39	181
491	C10H22	3,3,4-trimethylheptane	6.86861	1466.8	205.9	44	191
492	C10H22	3,3,5-trimethylheptane	6.85524	1435.43	205.49	40	185
493	C10H22	3,4,4-trimethylheptane	6.86721	1464.1	206.2	43	190
494	C10H22	3,4,5-trimethylheptane	6.87113	1463.4	204.2	45	192
495	C10H22	3-isopropyl-2-methylhexane	6.76103	1441	204.7	45	197
496	C10H22	3,3-diethylhexane	6.88355	1490.9	206.2	47	196
497	C10H22	3,4-diethylhexane	6.88347	1473.2	204.2	46	193
498	C10H22	3-ethyl-2,2-dimethylhexane	6.86594	1444.4	206.4	40	185
499	C10H22	4-ethyl-2,2-dimethylhexane	6.89526	1416	206	34	175
500	C10H22	3-ethyl-2,3-dimethylhexane	6.86128	1475.8	206.8	45	194
501	C10H22	4-ethyl-2,3-dimethylhexane	6.86823	1458	204.7	44	190
502	C10H22	3-ethyl-2,4-dimethylhexane	6.86682	1455.3	205	43	189
503	C10H22	4-ethyl-2,4-dimethylhexane	6.86721	1464.1	206.2	43	190
504	C10H22	3-ethyl-2,5-dimethylhexane	6.87155	1429.3	204.1	39	183
505	C10H22	4-ethyl-3,3-dimethylhexane	6.86288	1473.1	207	44	193
506	C10H22	3-ethyl-3,4-dimethylhexane	6.86148	1470.4	207.3	44	192
507	C10H22	2,2,3,3-tetramethylhexane	6.84438	1464.03	209.06	41	190
508	C10H22	2,2,3,4-tetramethylhexane	6.8241	1443.6	207.3	41	188
509	C10H22	2,2,3,5-tetramethylhexane	6.87685	1417.6	206.3	35	177
510	C10H22	2,2,4,4-tetramethylhexane	6.73151	1396	208.7	35	184
511	C10H22	2,2,4,5-tetramethylhexane	6.83561	1400.55	206.26	34	176
512	C10H22	2,2,5,5-tetramethylhexane	6.88124	1377.98	207	27	165
513	C10H22	2,3,3,4-tetramethylhexane	6.84243	1474.94	207.72	45	195
514	C10H22	2,3,3,5-tetramethylhexane	6.85043	1429.2	206.9	37	182
515	C10H22	2,3,4,4-tetramethylhexane	6.8294	1457.9	207.6	42	191
516	C10H22	2,3,4,5-tetramethylhexane	6.87156	1442.8	205.3	40	185
517	C10H22	3,3,4,4-tetramethylhexane	6.81164	1492.7	209.7	47	201
518	C10H22	24dimethyl3isopropylpentane	6.82154	1432.15	206.38	40	186
519	C10H22	33-diethyl-2-methylpentane	6.85984	1501.8	207.7	49	200
520	C10H22	3ethyl-223trimethylpentane	6.8071	1490.1	210	47	200
521	C10H22	3ethyl-224trimethylpentane	6.83149	1435.6	208.1	38	185
522	C10H22	3ethyl-234trimethylpentane	6.81616	1486.62	208.32	47	200
523	C10H22	22334-pentamethylpentane	6.79659	1474.89	210.6	44	197
524	C10H22	22344-pentamethylpentane	6.73273	1423.83	210.35	38	190
525	C10H22O	decyl-alcohol	6.9224	1472.01	134.16	103	230
526	C10H22S	butyl-hexyl-sulfide	6.06898	1421.32	205.81	143	285
527	C10H22S	ethyl-octyl-sulfide	6.06898	1421.32	205.81	143	285
528	C10H22S	heptyl-propyl-sulfide	6.06898	1421.32	205.81	143	285
529	C10H22S	methyl-nonyl-sulfide	6.06898	1421.32	205.81	143	285
530	C10H22S	pentyl-sulfide	6.06898	1421.32	205.81	143	285
531	C10H22S	1-decanethiol	6.9981	1713.6	177	109	271
532	C10H22S2	pentyl-disulfide	6.9581	1756	166.8	128	298
533	C11H10	1-methylnaphthalene	7.03592	1826.948	195.002	108	278
534	C11H10	2-methylnaphthalene	7.0685	1840.268	198.395	105	274
535	C11H16	pentylbenzene	6.97833	1639.91	194.76	80	237
536	C11H16	pentamethylbenzene	7.1376	1833.8	198.96	125	270
537	C11H20	1-undecyne	7.13064	1687.2	202	80	267
538	C11H22	1-undecene	6.96662	1562.469	189.743	72	222
539	C11H22	1-cyclopentylhexane	6.9548	1608	191.6	78	234
540	C11H22	pentylcyclohexane	6.94667	1619.11	194.51	78	235
541	C11H24	undecane	6.9722	1569.57	187.7	75	226
542	C11H24O	undecyl-alcohol	6.5271	1250	100	120	243
543	C11H24S	butyl-heptyl-sulfide	5.9321	1421.32	205.81	155	309
544	C11H24S	decyl-methyl-sulfide	5.9321	1421.32	205.81	155	309
545	C11H24S	ethyl-nonyl-sulfide	5.9321	1421.32	205.81	155	309
546	C11H24S	octyl-propyl-sulfide	5.9321	1421.32	205.81	155	309
547	C11H24S	1-undecanethiol	7.0122	1767.4	170.4	124	290
548	C12H10	biphenyl	7.2454	1998.72	202.74	70	272
549	C12H12	1-ethylnaphthalene	7.03159	1841.32	185.28	120	292
550	C12H12	2-ethylnaphthalene	7.07566	1880.73	191.41	118	291
551	C12H12	1,2-dimethylnaphthalene	7.00605	1805.31	171.37	129	269
552	C12H12	1,3-dimethylnaphthalene	7.2698	2076	210	148	310
553	C12H12	1,4-dimethylnaphthalene	7.2698	2076	210	148	310
554	C12H12	1,5-dimethylnaphthalene	7.0493	1855	180	150	313
555	C12H12	1,6-dimethylnaphthalene	7.2698	2076	210	148	310
556	C12H12	1,7-dimethylnaphthalene	7.0564	1879	180	150	320
557	C12H12	2,3-dimethylnaphthalene	7.0527	1869	180	155	315
558	C12H12	2,6-dimethylnaphthalene	7.046	1841	180	150	310
559	C12H12	2,7-dimethylnaphthalene	7.0478	1846	180	150	310
560	C12H18	hexylbenzene	6.9853	1700.5	188.2	96	258
561	C12H18	1,2,3-triethylbenzene	7.58877	2133.55	235.68	146	247
562	C12H18	1,2,4-triethylbenzene	7.57869	2133.558	235.681	46	218
563	C12H18	1,3,5-triethylbenzene	7.6044	2133.55	235.68	145	246
564	C12H18	hexamethylbenzene	7.15544	2133.55	235.68	178	300
565	C12H22	1-dodecyne	7.16929	1771.1	198	113	288
566	C12H24	1-dodecene	6.97522	1619.862	182.271	89	244
567	C12H24	1-cyclopentylheptane	6.9743	1672.2	184.4	95	256
568	C12H24	1-cyclohexylhexane	6.9555	1681	187.8	94	257
569	C12H26	dodecane	6.99795	1639.27	181.835	91	247
570	C12H26O	dodecyl-alcohol	7.53986	2003.29	168.13	138	214
571	C12H26S	butyl-octyl-sulfide	6.629	1408	116.06	134	307
572	C12H26S	decyl-ethyl-sulfide	5.81251	1421.32	205.81	166	333
573	C12H26S	hexyl-sulfide	5.81251	1421.32	205.81	166	333
574	C12H26S	methyl-undecyl-sulfide	5.81251	1421.32	205.81	166	333
575	C12H26S	nonyl-propyl-sulfide	5.81251	1421.32	205.81	166	333
576	C12H26S	1-dodecanethiol	7.0244	1817.8	164.1	138	308
577	C12H26S2	hexyl-disulfide	6.9632	1824.9	153.5	153	328
578	C13H14	1-propylnaphthalene	7.0594	1890.8	180	155	335
579	C13H14	2-propylnaphthalene	7.0605	1895.5	180	160	335
580	C13H14	2ethyl-3-methylnaphthalene	7.02851	1895.5	180	196	312
581	C13H14	2ethyl-6-methylnaphthalene	7.09303	1895.5	180	192	303
582	C13H14	2ethyl-7-methylnaphthalene	7.09303	1895.5	180	192	303
583	C13H20	1-phenylheptane	7.0006	1761.2	181.5	112	279
584	C13H24	1-tridecyne	7.15674	1834.4	195	120	308
585	C13H26	1-tridecene	6.98563	1674.741	175.214	105	264
586	C13H26	1-cyclopentyloctane	6.9896	1729.8	177.3	112	276
587	C13H26	1-cyclohexylheptane	6.9743	1743	180.9	111	278
588	C13H28	tridecane	7.00756	1690.67	174.22	107	267
589	C13H28O	1-tridecanol	7.41181	2003.29	168.13	202	304
590	C13H28S	butyl-nonyl-sulfide	5.70756	1421.32	205.81	177	355
591	C13H28S	decyl-propyl-sulfide	5.70756	1421.32	205.81	177	355
592	C13H28S	dodecyl-methyl-sulfide	5.70756	1421.32	205.81	177	355
593	C13H28S	ethyl-undecyl-sulfide	5.70756	1421.32	205.81	177	355
594	C13H28S	1-tridecanethiol	7.037	1864.9	157.9	151	325
595	C14H16	1-butylnaphthalene	4.9631	656.8	26	139	292
596	C14H16	2-butylnaphthalene	6.6117	1591.4	138.5	145	291
597	C14H22	1-phenyloctane	7.0086	1812.2	174.6	127	298
598	C14H22	1,2,3,4-tetraethylbenzene	7.65632	2312.864	236.261	66	248
599	C14H22	1,2,3,5-tetraethylbenzene	7.63235	2312.86	236.26	174	282
600	C14H22	1,2,4,5-tetraethylbenzene	7.63723	2312.86	236.26	174	282
601	C14H26	1-tetradecyne	7.23227	1927.7	191	145	326
602	C14H28	1-tetradecene	7.02005	1745.001	170.475	119	283
603	C14H28	1-cyclopentylnonane	6.996	1779	170.2	126	296
604	C14H28	1-cyclohexyloctane	6.9897	1799.3	174.3	126	298
605	C14H30	tetradecane	7.013	1740.88	167.72	122	286
606	C14H30O	1-tetradecanol	6.6741	1204.5	54	130	264
607	C14H30S	butyl-decyl-sulfide	5.61512	1421.32	205.81	187	376
608	C14H30S	dodecyl-ethyl-sulfide	5.61512	1421.32	205.81	187	376
609	C14H30S	heptyl-sulfide	5.61512	1421.32	205.81	187	376
610	C14H30S	methyl-tridecyl-sulfide	5.61512	1421.32	205.81	187	376
611	C14H30S	propyl-undecyl-sulfide	5.61512	1421.32	205.81	187	376
612	C14H30S	1-tetradecanethiol	7.0485	1909.2	151.9	164	341
613	C14H30S2	heptyl-disulfide	6.9602	1878.6	139.8	175	357
614	C15H18	1-pentylnaphthalene	7.0743	2000	170	185	360
615	C15H18	2-pentylnaphthalene	7.06	2005.9	170	190	370
616	C15H24	1-phenylnonane	7.0245	1862.6	167.5	142	316
617	C15H28	1-pentadecyne	7.20553	1972.07	188	140	349
618	C15H30	1-pentadecene	7.01555	1781.974	162.582	134	302
619	C15H30	1-cyclopentyldecane	7.00349	1825.748	163.479	141	314
620	C15H30	1-cyclohexylnonane	7.0006	1850.2	167.6	141	316
621	C15H32	pentadecane	7.02359	1789.95	161.38	136	304
622	C15H32O	1-pentadecanol	6.23737	1204.5	54	230	339
623	C15H32S	butyl-undecyl-sulfide	5.53347	1421.32	205.81	196	397
624	C15H32S	dodecyl-propyl-sulfide	5.53347	1421.32	205.81	196	397
625	C15H32S	ethyl-tridecyl-sulfide	5.53347	1421.32	205.81	196	397
626	C15H32S	methyl-tetradecyl-sulfide	5.53347	1421.32	205.81	196	397
627	C15H32S	1-pentadecanethiol	7.0612	1951	146	176	356
628	C16H26	1-phenyldecane	7.03642	1904.132	160.318	155	333
629	C16H26	pentaethylbenzene	8.29495	2972.77	272.052	86	277
630	C16H30	1-hexadecyne	7.47511	2154.7	185	172	367
631	C16H32	1-hexadecene	7.04437	1843.581	157.917	147	319
632	C16H32	1-cyclopentylundecane	7.02	1869.2	156	154	330
633	C16H32	1-cyclohexyldecane	7.01852	1899.242	161.348	154	333
634	C16H34	hexadecane	7.02867	1830.51	154.45	149	321
635	C16H34O	1-hexadecanol	6.1586	1380	91	145	190
636	C16H34S	butyl-dodecyl-sulfide	5.46123	1421.32	205.81	204	416
637	C16H34S	ethyl-tetradecyl-sulfide	5.46123	1421.32	205.81	204	416
638	C16H34S	methyl-pentadecyl-sulfide	5.46123	1421.32	205.81	204	416
639	C16H34S	octyl-sulfide	5.46123	1421.32	205.81	204	416
640	C16H34S	propyl-tridecyl-sulfide	5.46123	1421.32	205.81	204	416
641	C16H34S	1-hexadecanethiol	7.075	1990	140	188	370
642	C16H34S2	octyl-disulfide	6.9579	1935.6	129	196	383
643	C17H28	1-phenylundecane	7.0509	1944.1	153	168	349
644	C17H32	1-heptadecyne	7.48829	2216.2	182	184	384
645	C17H34	1-heptadecene	7.03925	1877.91	151.53	159	335
646	C17H34	1-cyclopentyldodecane	7.0319	1909.1	149	168	346
647	C17H34	1-cyclohexylundecane	7.029	1939.7	154.5	167	349
648	C17H36	heptadecane	7.0143	1865.1	149.2	161	337
649	C17H36O	1-heptadecanol	6.782	1595	85.06	191	383
650	C17H36S	butyl-tridecyl-sulfide	5.39727	1421.32	205.81	212	434
651	C17H36S	ethyl-pentadecyl-sulfide	5.39727	1421.32	205.81	212	434
652	C17H36S	hexadecyl-methyl-sulfide	5.39727	1421.32	205.81	212	434
653	C17H36S	propyl-tetradecyl-sulfide	5.39727	1421.32	205.81	212	434
654	C17H36S	1-heptadecanethiol	7.081	2027	135	198	384
655	C18H30	1-phenyldodecane	7.0693	1981.6	145.5	181	363
656	C18H30	hexaethylbenzene	7.50288	2360.733	212.652	134	298
657	C18H34	1-octadecyne	7.50787	2281.1	180	196	400
658	C18H36	1-octadecene	7.04518	1917.9	145.9	171	350
659	C18H36	1-cycopentyltridecane	7.0473	1947	141.9	180	361
660	C18H36	1-cyclohexyldodecane	7.0362	1976.7	148	179	364
661	C18H38	octadecane	7.0022	1894.3	143.3	172	352
662	C18H38O	1-octadecanol	6.814	1632	80.06	201	385
663	C18H38S	butyl-tetradecyl-sulfide	5.3364	1421.32	205.81	220	452
664	C18H38S	ethyl-hexadecyl-sulfide	5.3364	1421.32	205.81	220	452
665	C18H38S	heptadecyl-methyl-sulfide	5.3364	1421.32	205.81	220	452
666	C18H38S	nonyl-sulfide	5.3364	1421.32	205.81	220	452
667	C18H38S	pentadecyl-propyl-sulfide	5.3364	1421.32	205.81	220	452
668	C18H38S	1-octadecanethiol	7.096	2061	129	209	397
669	C18H38S2	nonyl-disulfide	6.9605	1981.5	117	215	407
670	C19H32	1-phenyltridecane	7.0843	2013.9	137.9	193	377
671	C19H36	1-nonadecyne	7.51711	2336.7	177	208	416
672	C19H38	1-nonadecene	7.0571	1961.6	141.2	183	364
673	C19H38	1-cyclopentyltetradecane	7.063	1982	135	192	375
674	C19H38	1-cyclohexyltridecane	7.0469	2012.2	141.5	191	378
675	C19H40	nonadecane	7.0153	1932.8	137.6	184	366
676	C19H40O	1-nonadecanol	6.60769	1632	80.06	274	395
677	C19H40S	butyl-pentadecyl-sulfide	5.28246	1421.32	205.81	227	468
678	C19H40S	ethyl-heptadecyl-sulfide	5.28246	1421.32	205.81	227	468
679	C19H40S	hexadecyl-propyl-sulfide	5.28246	1421.32	205.81	227	468
680	C19H40S	methyl-octadecyl-sulfide	5.28246	1421.32	205.81	227	468
681	C19H40S	1-nonadecanethiol	7.105	2094	124	219	409
682	C20H34	1-phenyltetradecane	7.101	2042	130	205	390
683	C20H38	1-eicosyne	7.52336	2386.3	174	219	431
684	C20H40	1-eicosene	7.0577	1995.3	136	193	378
685	C20H40	1-cyclopentylpentadecane	7.083	2016	128	203	388
686	C20H40	1-cyclohexyltetradecane	7.061	2046	135	203	392
687	C20H42	eicosane	7.1522	2032.7	132.1	198	379
688	C20H42O	1-eicosanol	6.872	1699	70.06	219	406
689	C20H42S	butyl-hexadecyl-sulfide	5.23473	1421.32	205.81	233	484
690	C20H42S	decyl-sulfide	5.23473	1421.32	205.81	233	484
691	C20H42S	ethyl-octadecyl-sulfide	5.23473	1421.32	205.81	233	484
692	C20H42S	heptadecyl-propyl-sulfide	5.23473	1421.32	205.81	233	484
693	C20H42S	methyl-nonadecyl-sulfide	5.23473	1421.32	205.81	233	484
694	C20H42S	1-eicosanethiol	7.114	2125	119	229	421
695	C20H42S2	decyl-disulfide	6.972	2019	103.1	235	429
696	C21H36	1-phenylpentadecane	7.114	2067	122	216	403
697	C21H42	1-cyclopentylhexadecane	7.103	2048	121	215	401
698	C21H42	1-cyclohexylpentadecane	7.072	2078	129	213	404
699	C22H38	1-phenylhexadecane	7.14	2095	114	227	415
700	C22H44	1-cyclohexylhexadecane	7.074	2099	122	224	416
