compounds.csv

compound_id,smiles,name
0,Br/C=C\Br,"1,2-acetylene dibromide"
1,BrBr,Bromine
2,BrC(Br)Br,bromoform
3,BrC(Br)C(Br)Br,"1,1,2,2-Tetrabromoethane"
4,BrCBr,Methylene bromide (Dibromomethane)
5,BrCCBr,"1,2-Dibromo ethane"
6,BrCCCBr,"l,3-dibromopropane"
7,Brc1ccccc1,bromobenzene
8,C#CCCCCCC,n-hexylacetylene
9,C#CCO,2-Propyn-1-ol
10,C#Cc1ccccc1,phenylacetylene
11,C#N,hydrogen cyanide
12,C/C=C/C=O,trans-crotonaldehyde
13,C/C=C/c1ccc(O)c(OC)c1,isoeugenol
14,C/C=C/c1ccc2c(c1)OCO2,isosafrol
15,C/C=C\CC,cis-2-pentene
16,C1=CC2C3C=CC(C3)C2C1,Dicyclopentadiene
17,C1=CC=CC=CC=C1,"1,3,5,7-cyclooctatetraene"
18,C1=CCC=C1,cyclopentadiene
19,C1=CCCC1,cyclopentene
20,C1=CCCCC1,cyclohexene
21,C1=CCCCCC1,cycloheptene
22,C1=CCCCCCC1,cyclooctene
23,C1=Cc2ccccc2C1,indene
24,C1CC2OC2CC1C1CO1,Vinylcyclohexene dioxide
25,C1CCC(C2CCCCC2)CC1,bicyclohexyl
26,C1CCC2CCCCC2C1,decahydronaphthalene
27,C1CCCC1,cyclopentane
28,C1CCCCC1,cyclohexane
29,C1CCCCCC1,cycloheptane
30,C1CCCCCCC1,cyclooctane
31,C1CCOC1,Tetrahydrofuran
32,C1CCOCC1,tetrahydropyran
33,C1CC[C@H]2CCCC[C@@H]2C1,trans-decahydronaphthalene
34,C1CC[C@H]2CCCC[C@H]2C1,cis-decahydronaphthalene
35,C1CO1,ethylene oxide
36,C1COCCN1,Morpholine
37,C1COCCO1,"1,4-Dioxane"
38,C1COCO1,"1,3-dioxolane"
39,C1CSC1,Trimethylene sulfide
40,C=C(C#N)C(=O)OC,Methyl 2-cyanoacrylate
41,C=C(C)C#N,Methacrylonitrile
42,C=C(C)C(=C)C,diisopropenyl
43,C=C(C)C(=O)O,Methacrylic acid
44,C=C(C)C(=O)OC,Methyl methacrylate
45,C=C(C)C(=O)OC1CCCCC1,Cyclohexyl methacrylate
46,C=C(C)C(=O)OCC(C)C,isobutyl methacrylate
47,C=C(C)C(=O)OCC1CO1,Glycidyl methacrylate
48,C=C(C)C(=O)OCCCC,n-butyl methacrylate
49,C=C(C)C(=O)OCCN(C)C,"N,n-dimethylaminoethyl methacrylate"
50,C=C(C)C1CC=C(C)C(=O)C1,d-carvol
51,C=C(C)C=O,Methacrolein
52,C=C(C)c1ccccc1,Alpha-methyl styrene
53,C=C(Cl)Cl,"1,1-Dichloroethylene"
54,C=C1CCC2CC1C2(C)C,Beta-pinene
55,C=C=C,propadiene
56,C=CC#N,acrylonitrile
57,C=CC(=C)C,isoprene
58,C=CC(=O)O,acrylic acid
59,C=CC(=O)OC,methyl acrylate
60,C=CC(=O)OCC(C)C,Isobutyl acrylate
61,C=CC(=O)OCCCC,n-butyl acrylate
62,C=CC(C)(O)CCC=C(C)C,Linalool
63,C=CC(C)=O,Methyl vinyl ketone
64,C=CC(N)=O,Acrylamide
65,C=CC=C,"1,3-butadiene"
66,C=CC=O,Acrolein
67,C=CCBr,Allyl bromide
68,C=CCC(=O)O,3-Butenoic acid
69,C=CCCC=C,"Hexadiene-1,5"
70,C=CCCCCCC,1-Octene
71,C=CCCCCCCC,1-Nonene
72,C=CCCCCCCCC,1-Decene
73,C=CCCCCCCCCC,1-Undecene
74,C=CCCCCCCCCCC,1-Dodecene
75,C=CCCCCCCCCCCCC,1-Tetra decene
76,C=CCCCCCCCCCCCCC,1-Pentadodecene
77,C=CCCCCCCCCCCCCCC,1-hexadecene
78,C=CCCCCCCCCCCCCCCC,1-Hepta decene
79,C=CCCCCCCCCCCCCCCCC,1-Octa decene
80,C=CCCCCCCCCCCCCCCCCC,1-Nonodecene
81,C=CCCCCCCCCCCCCCCCCCC,1-Eicosene
82,C=CCCl,Allyl chloride
83,C=CCI,Allyl iodide
84,C=CCN,allylamine
85,C=CCNc1ccccc1,allylaniline
86,C=CCO,allyl alcohol
87,C=CCOC(=O)/C=C\C(=O)OCC=C,diallyl maleate
88,C=CCOC(=O)Cl,Allyl chloroformate
89,C=CCOC(=O)c1ccccc1C(=O)OCC=C,Diallyl phthalate
90,C=CCOC(C)=O,Allyl acetate
91,C=CCOCC(C)O,propylene glycol monoallyl ether
92,C=CCSC#N,allyl thiocyanate
93,C=CCc1ccc(O)c(OC)c1,eugenol
94,C=CCc1ccc2c(c1)OCO2,safrol
95,C=CCl,Vinyl chloride
96,C=CN1CCCC1=O,1-vinyl-2-pyrrolidone
97,C=COC(C)=O,Vinyl acetate
98,C=Cc1ccc(C)cc1,4-vinyltoluene
99,C=Cc1ccccn1,2-vinylpyridine
100,C=O,Formaldehyde
101,CBr,Methyl bromide
102,CC#N,Acetonitrile
103,CC(=O)C(C)(C)C,methyl-tert-butyl ketone
104,CC(=O)C(C)C,methyl-i-propyl ketone
105,CC(=O)CC(C)(C)O,diacetone alcohol
106,CC(=O)CC(C)=O,"2,4-Pentanedione"
107,CC(=O)CC(C)C,methyl isobutyl ketone
108,CC(=O)CCC(C)C,5-Methyl-2-hexanone
109,CC(=O)N(C)C,"N,N-Dimethylacetamide"
110,CC(=O)N(C)c1ccccc1,N-methylacetanilide
111,CC(=O)Nc1ccccc1,acetanilide
112,CC(=O)O,acetic acid
113,CC(=O)OC(C)(C)C,tert butyl acetate
114,CC(=O)OC(C)=O,Acetic anhydride
115,CC(=O)OC(C)C,isopropyl acetate
116,CC(=O)OC(C)CC(C)C,4-methyl-2-pentyl acetate
117,CC(=O)OC1CCCCC1,cyclohexyl acetate
118,CC(=O)OCC(C)C,Isobutyl acetate
119,CC(=O)OCC(COC(C)=O)OC(C)=O,triacetin
120,CC(=O)OCCC(C)C,Isopentyl acetate
121,CC(=O)OCc1ccccc1,benzyl acetate
122,CC(=O)OO,Peracetic acid
123,CC(=O)Oc1ccccc1,phenyl acetate
124,CC(=O)c1ccc(O)cc1,4-hydroxyacetophenone
125,CC(=O)c1ccccc1,acetophenone
126,CC(Br)CBr,"1,2-Dibromo propane"
127,CC(C)(Br)CBr,"1,2-Dibromo-2-methyl propane"
128,CC(C)(C)C,"2,2-Dimethyl propane"
129,CC(C)(C)CC(C)(C)C,"2,2,4,4-tetramethylpentane"
130,CC(C)(C)CO,Neopentyl alcohol
131,CC(C)(C)Cl,2-Chloro-2-methylpropane
132,CC(C)(C)O,2-methyl-2-propanol
133,CC(C)(C)c1ccc(O)cc1,P-tert-butylphenol
134,CC(C)(CO)COC(=O)C(C)(C)CO,hydroxypivalyl hydroxypivalate
135,CC(C)(Cl)Cl,"2,2-Dichloropropane"
136,CC(C)(O)C(F)(F)F,Trifluoro-2-methyl propanol
137,CC(C)=CC(=O)C=C(C)C,phorone
138,CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C,Squalene
139,CC(C)=CCCC(C)CCO,Citronellol
140,CC(C)=O,acetone
141,CC(C)Br,Isopropyl bromide
142,CC(C)C,isobutane
143,CC(C)C#N,Isobutanenitrile
144,CC(C)C(=O)O,Iso butyric acid
145,CC(C)C(C)(C)C,"2,2,3-trimethylbutane"
146,CC(C)C(C)C,diisopropyl
147,CC(C)C(C)O,3-Methyl-2-butanol
148,CC(C)C1CCCC1,isopropylcyclopentane
149,CC(C)C1CCCCC1,Isopropylcyclohexane
150,CC(C)C=O,Isobutyraldehyde
151,CC(C)CBr,isobutyl bromide
152,CC(C)CC(=O)CC(C)C,"2,6-Dimethyl-4-heptanone"
153,CC(C)CC(=O)O,isovaleric acid
154,CC(C)CC(C)(C)C,"2,2,4-trimethylpentane"
155,CC(C)CC(C)C,"2,4-dimethylpentane"
156,CC(C)CC(C)O,4-Methyl-2-pentanol
157,CC(C)CC1CCCC1,Isobutylcyclopentane
158,CC(C)CC1CCCCC1,Isobutyleyclohexane
159,CC(C)CC=O,Isovaleraldehyde
160,CC(C)CCC#N,4-Methylpentanenitrile
161,CC(C)CCC(C)C,"2,5-dimethylhexane"
162,CC(C)CCCC(C)CCCC(C)CCCC(C)C,Pristane
163,CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,squalene
164,CC(C)CCCCC(C)C,"2,7-dimethyloctane"
165,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,diisodecyl phthalate
166,CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,diisononyl phthalate
167,CC(C)CCCCCO,Isooctyl alcohol
168,CC(C)CCN,isoamylamine
169,CC(C)CCNc1ccccc1,isoamylaniline
170,CC(C)CCO,isoamyl alcohol
171,CC(C)CCOC(=O)CCCCCCCCC(=O)OCCC(C)C,decanedioic acid bis-(3-methyl-butyl) ester
172,CC(C)CCOC=O,Isopentyl formate
173,CC(C)CCOCCC(C)C,Diisopentyl ether
174,CC(C)CCl,isobutyl chloride
175,CC(C)CI,Isobutyl iodide
176,CC(C)CO,Isobutyl alcohol
177,CC(C)COC=O,isobutyl formate
178,CC(C)COCC(C)C,isobutyl ether
179,CC(C)Cc1ccccc1,isobuthylbenzene
180,CC(C)Cl,Isopropyl chloride
181,CC(C)I,Isopropyl iodide
182,CC(C)N,isopropylamine
183,CC(C)O,isopropyl alcohol
184,CC(C)OC(=O)Cl,Isopropyl chloroformate
185,CC(C)OC(C)C,Isopropyl ether
186,CC(C)OC(C)COC(C)COC(C)CO,Tripropylene glycol isopropyl ether
187,CC(C)OC=O,Isopropyl formate
188,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,menthol
189,CC(C)[N+](=O)[O-],2-nitropropane
190,CC(C)c1ccccc1,isopropylbenzene
191,CC(CC=O)CC(C)(C)C,"3,5,5-trimethylhexanal"
192,CC(CCl)OC(C)CCl,Bis(2-chloro-1-methylethyl) ether
193,CC(CO)C(F)(F)F,Trifluoro-2-methyl propanol
194,CC(CO)c1ccccc1,β-phenylpropyl alcohol
195,CC(Cl)(Cl)Cl,"1,1,1-Trichloroethane"
196,CC(Cl)CCl,"1,2-Dichloropropane"
197,CC(Cl)Cl,"1,1-dichloroethane"
198,CC(F)(Cl)Cl,"1,1-dichloro-1-fluoroethane"
199,CC(F)(F)Cl,"1-chloro-1,1-difluoroethane"
200,CC(F)Cl,1-fluoro-1-chloroethane
201,CC(F)F,"1,1-difluoroethane"
202,CC(N)=O,acetamide
203,CC(O)C#N,Lactonitrile
204,CC(O)C(F)(F)F,Trifluoro-2-propanol
205,CC(O)CNCC(C)O,Diisopropanolamine
206,CC(O)CO,Propylene glycol
207,CC(O)COC(C)(C)C,Propylene glycol mono-t-butyl ether
208,CC(O)COc1ccccc1,Propylene glycol phenyl ether
209,CC(O)SC(C)O,thiobis(2-ethanol)
210,CC12CCC(CC1)C(C)(C)O2,"1,8-cineole"
211,CC1=CC(=O)CC(C)(C)C1,Isophorone
212,CC1=CCC2CC1C2(C)C,Pinene
213,CC1=CCCCC1,1-Methylcyclohex-1-ene
214,CC1C=CCC1,3-Methylcyclopentene
215,CC1CC(C)CC(C)C1,"trans-1,3,5-Trimethylcyclohexane"
216,CC1CCC(C(C)C)C(=O)C1,menthone
217,CC1CCCC(C)C1,"cis-1,3-Dimethylcyclohexane "
218,CC1CCCC1,methylcyclopentane
219,CC1CCCCC1,methylcyclohexane
220,CC1CCCCC1=O,o-methylcyclohexanone
221,CC1CCCCC1C,"trans-1,2-Dimethylcyclohexane"
222,CC1CCCCC1O,o-hexahydrocresol
223,CC1CCCO1,2-methyl tetrahydrofuran
224,CC1CN1,Propyleneimine
225,CC1CO1,"1,2-propylene oxide"
226,CC1COC(=O)O1,Propylene carbonate
227,CC1OC(C)OC(C)O1,paraldehyde
228,CC=C(C)C,2-methyl-2-butene
229,CC=C(C)[N+](=O)[O-],2-Nitro-2-butene
230,CC=C(CC)[N+](=O)[O-],3-Nitro-2-pentene
231,CC=Cc1ccc(O)c(OC)c1,Isoeugenol
232,CC=O,Acetaldehyde
233,CCBr,ethyl bromide
234,CCC,propane
235,CCC#N,Propionitrile
236,CCC(=O)CC,diethyl ketone
237,CCC(=O)NC,N-Methyl propanamide
238,CCC(=O)O,Propionic acid
239,CCC(=O)OC,methyl propionate
240,CCC(=O)OC(=O)CC,Propanoic anhydride
241,CCC(=O)OCC(C)C,isobutyl propionate
242,CCC(=O)OCC(COC(=O)CC)OC(=O)CC,"1,2,3-tris-(propionyloxy)-propane"
243,CCC(C)(C)C,"2,2-dimethylbutane"
244,CCC(C)(C)C(C)C,"2,3,3-trimethylpentane"
245,CCC(C)(C)CC,"3,3-dimethylpentane"
246,CCC(C)(C)O,tert-amyl alcohol
247,CCC(C)=O,Methyl ethyl ketone
248,CCC(C)C,Isopentane
249,CCC(C)C(=O)O,methylethylacetic acid
250,CCC(C)C(C)(C)C,"2,2,3-trimethylpentane"
251,CCC(C)C(C)C,"2,3-Dimethylpentane"
252,CCC(C)CC,3-methylpentane
253,CCC(C)CCO,3-methyl-1-pentanol
254,CCC(C)CO,2-Methyl butanol
255,CCC(C)COC(C)=O,2-Methylbutyl acetate
256,CCC(C)Cl,2-Chlorobutane
257,CCC(C)N,sec-Butylamine
258,CCC(C)O,2-butanol
259,CCC(C)OC(C)=O,sec butyl acetate
260,CCC(C)c1ccccc1,sec-butylbenzene
261,CCC(CC)C(=O)O,2-Ethylbutanoic acid
262,CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC,Triethylene glycol bis(2-ethylbutyrate)
263,CCC(CC)CO,2-Ethyl-1-butanol
264,CCC(CC)OC(=O)CCCCCCCC(=O)OC(CC)CC,nonanedioic acid bis-(1-ethyl-propyl) ester
265,CCC(O)(CC)CC,3-ethyl-3-pentanol
266,CCC(O)C(C)C,ethylisopropyl carbinol
267,CCC(O)CC,3-Pentanol
268,CCC(O)CO,"1,2-butanediol"
269,CCC1CCCC1,Ethylcyclopentane
270,CCC1CCCCC1,ethylcyclohexane
271,CCC1CO1,"1,2-Epoxybutane"
272,CCC=C(C)[N+](=O)[O-],2-Nitro-2-pentene
273,CCC=O,Propionaldehyde
274,CCCBr,Propyl bromide
275,CCCC,n-butane
276,CCCC#N,butanenitrile
277,CCCC(=O)CCC,4-Heptanone
278,CCCC(=O)O,n-butyric acid
279,CCCC(=O)OC,methyl butanoate
280,CCCC(=O)OC(=O)CCC,Butyric anhydride
281,CCCC(=O)OCC,Ethyl butyrate
282,CCCC(=O)OCC(C)C,isobutyl n-butyrate
283,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,"1,2,3-tris-butyryloxy-propane"
284,CCCC(C(C)=O)C(=O)OCC,ethyl propylacetoacetate
285,CCCC(C)(C)C,"2,2-dimethylpentane"
286,CCCC(C)=O,methyl propyl ketone
287,CCCC(C)C,2-methylpentane
288,CCCC(C)C(=O)O,methylpropylacetic acid
289,CCCC(C)C=O,2-methylpentaldehyde
290,CCCC(C)CC,3-Methylhexane
291,CCCC(C)CC(C)(C)C,"2,2,4-trimethyl-heptane"
292,CCCC(C)CC(C)CC(C)C,"2,4,6-trimethyl-octane"
293,CCCC(C)O,2-Pentanol
294,CCCC(CC)CC,3-ethylhexane
295,CCCC(CCC)C(=O)O,dipropylacetic acid
296,CCCC(O)CC,3-hexanol
297,CCCC1CCCC1,Propylcyclopentane
298,CCCC1CCCCC1,Propylcyclohexane
299,CCCC=C(C)[N+](=O)[O-],2-Nitro-2-hexene
300,CCCC=O,n-butyraldehyde
301,CCCCBr,n-Butyl bromide
302,CCCCC,n-pentane
303,CCCCC#N,Pentanenitrile
304,CCCCC(=O)CC,3-heptanone
305,CCCCC(=O)O,n-valeric acid
306,CCCCC(=O)OC,methyl n-valerate
307,CCCCC(=O)OCC,pentanoic acid ethyl ester
308,CCCCC(=O)OCC(C)C,isobutyl n-valerate
309,CCCCC(=O)OCCC,n-propyl n-valerate
310,CCCCC(C)(C)C,"2,2-dimethylhexane"
311,CCCCC(C)=O,Methyl butyl ketone
312,CCCCC(C)C,2-methylhexane
313,CCCCC(C)CC(C)CC(C)C,"2,4,6-trimethyl-decane"
314,CCCCC(C)O,2-hexanol
315,CCCCC(C=O)CC,2-ethylhexaldehyde
316,CCCCC(CC)CO,2-ethyl-1-hexanol
317,CCCCC(CC)COC(=O)C(F)(F)C(F)(F)F,2-ethyl-1-hexanol
318,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,di(2-ethylhexyl)adipate
319,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,decanedioic acid bis-(2-ethyl-hexyl) ester
320,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC,Di(2-ethylhexyl) o-phthalate
321,CCCCC(O)CC,3-heptanol
322,CCCCC1CCCC1,Butyl cyclo pentane
323,CCCCC1CCCCC1,n-butylcyclohexane
324,CCCCC=O,Pentanal
325,CCCCCC,n-hexane
326,CCCCCC#N,Hexanenitrile
327,CCCCCC(=O)O,hexanoic acid
328,CCCCCC(=O)OC,Methyl hexanoate
329,CCCCCC(=O)OCC,Ethyl hexanoate
330,CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC,"1,2,3-tris-(hexanoyloxy)-propane"
331,CCCCCC(C)=O,2-Heptanone
332,CCCCCC(C)C,Isooctane
333,CCCCCC1CCCCC1,Pentyl cyclo hexane
334,CCCCCCBr,n-Hexyl bromide
335,CCCCCCC,n-heptane
336,CCCCCCC(=O)O,Heptanoic acid
337,CCCCCCC(=O)OC,methyl heptanoate
338,CCCCCCC(=O)OC(C)CCCCCC,heptanoic acid 1-methyl-heptyl ester
339,CCCCCCC(=O)OCC,Ethyl heptanoate
340,CCCCCCC(C)=O,octan-2-one
341,CCCCCCC(C)C,2-methyloctane
342,CCCCCCC(C)CC(C)CC(C)C,"2,4,6-trimethyl-dodecane"
343,CCCCCCC(C)O,d-sec-octyl alcohol
344,CCCCCCC1CCCC1,Hexyl cyclo pentane
345,CCCCCCC1CCCCC1,n-Hexyl cyclo hexane
346,CCCCCCC=O,Heptanal
347,CCCCCCCBr,n-Heptyl bromide
348,CCCCCCCC,n-octane
349,CCCCCCCC#N,Octanenitrile
350,CCCCCCCC(=O)O,Octanoic acid
351,CCCCCCCC(=O)OC,Methyl octanoate
352,CCCCCCCC(=O)OC(C)CCCCCC,octanoic acid 1-methyl-heptyl ester
353,CCCCCCCC(=O)OCC,Ethyl octanoate
354,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,tricaprylin
355,CCCCCCCC(C)=O,nonan-2-one
356,CCCCCCCC(C)CC(C)CC(C)C,"2,4,6-trimethyl-tridecane"
357,CCCCCCCC(CCCCC)C1CCCCC1,n-Pentyl decyl cyclo hexane
358,CCCCCCCC/C=C/CCCCCCCC(=O)OCC,ethyl elaidate
359,CCCCCCCC/C=C\CCCCCCCC(=O)OC,Methyl oleate
360,CCCCCCCC1CCCC1,Heptyl cyclo pentane
361,CCCCCCCC1CCCCC1,n-Heptyl cyclo hexane
362,CCCCCCCCBr,n-Otyl bromide
363,CCCCCCCCC,n-nonane
364,CCCCCCCCC(=O)O,Nonanoic acid
365,CCCCCCCCC(=O)OC,methyl nonanoate
366,CCCCCCCCC(=O)OC(C)CCCCC,nonanoic acid 1-methyl-hexyl ester
367,CCCCCCCCC(=O)OCC,ethyl pelargonate
368,CCCCCCCCC(C)O,methyl-n-octyl carbinol
369,CCCCCCCCC1CCCC1,Octyl cyclo pentane
370,CCCCCCCCC1CCCCC1,n-Octyl cyclo hexane
371,CCCCCCCCC=CCCCCCCCC(=O)O,Oleic acid
372,CCCCCCCCCBr,n-Nonyl bromide
373,CCCCCCCCCC,n-decane
374,CCCCCCCCCC(=O)O,n-capric acid
375,CCCCCCCCCC(=O)OC,Methyl decanoate
376,CCCCCCCCCC(=O)OCC,ethyl decanoate
377,CCCCCCCCCC(C)=O,undecan-2-one
378,CCCCCCCCCC(C)C,2-methylundecane
379,CCCCCCCCCC(C)CC(C)CC(C)C,"2,4,6-trimethyl-pentadecane"
380,CCCCCCCCCC(C)O,methylnonyl carbinol
381,CCCCCCCCCC(C)OC(=O)CCC,butyric acid 1-methyl-decyl ester
382,CCCCCCCCCC(C)OC(=O)CCCC,pentanoic acid 1-methyl-decyl ester
383,CCCCCCCCCC(C)OC(=O)CCCCCC,heptanoic acid 1-methyl-decyl ester
384,CCCCCCCCCC(C)OC(=O)CCCCCCCC,nonanoic acid 1-methyl-decyl ester
385,CCCCCCCCCC1CCCC1,Nonyl cyclo pentane
386,CCCCCCCCCC1CCCCC1,n-Nonyl cyclo hexane
387,CCCCCCCCCCBr,n-Decyl bromide
388,CCCCCCCCCCC,n-undecane
389,CCCCCCCCCCC(=O)O,undecylic acid
390,CCCCCCCCCCC(=O)OC(C)CCCC,undecanoic acid 1-methyl-pentyl ester
391,CCCCCCCCCCC(=O)OC(C)CCCCC,undecanoic acid 1-methyl-hexyl ester
392,CCCCCCCCCCC(=O)OC(C)CCCCCC,undecanoic acid 1-methyl-heptyl ester
393,CCCCCCCCCCC1CCCC1,Decyl cyclo pentane
394,CCCCCCCCCCCC,n-dodecane
395,CCCCCCCCCCCC(=O)O,Dodecanoic acid
396,CCCCCCCCCCCC(=O)OC,methyl dodecanoate
397,CCCCCCCCCCCC(=O)OC(C)CCCC,dodecanoic acid 1-methyl-pentyl ester
398,CCCCCCCCCCCC(=O)OC(C)CCCCC,dodecanoic acid 1-methyl-hexyl ester
399,CCCCCCCCCCCC(=O)OC(C)CCCCCCCC,dodecanoic acid 1-methyl-nonyl ester
400,CCCCCCCCCCCC(=O)OCC,ethyl dodecanoate
401,CCCCCCCCCCCC(C)C,2-methyltridecane
402,CCCCCCCCCCCC(C)CC(C)CC(C)C,"2,4,6-trimethyl-heptadecane"
403,CCCCCCCCCCCC1CCCC1,Undecylcylopentane
404,CCCCCCCCCCCC1CCCCC1,n-Undecyl cyclo hexane
405,CCCCCCCCCCCCC,n-tridecane
406,CCCCCCCCCCCCC1CCCC1,Dodecyl cyclo pentane
407,CCCCCCCCCCCCC1CCCCC1,n-Dodecyl cyclo hexane
408,CCCCCCCCCCCCCC,n-tetradecane
409,CCCCCCCCCCCCCC(=O)O,myristic acid
410,CCCCCCCCCCCCCC(=O)OC,Methyl myristate
411,CCCCCCCCCCCCCC(=O)OC(C)C,isopropyl myristate
412,CCCCCCCCCCCCCC(=O)OC(C)CCCCC,tetradecanoic acid 1-methyl-hexyl ester
413,CCCCCCCCCCCCCC(=O)OCC,ethyl tetradecanoate
414,CCCCCCCCCCCCCC1CCCC1,Tridecyl cyclo pentane
415,CCCCCCCCCCCCCC1CCCCC1,n-Tri decyl cyclo hexane
416,CCCCCCCCCCCCCCC,Pentadecane
417,CCCCCCCCCCCCCCC1CCCC1,Tetra decyl cyclo pentane
418,CCCCCCCCCCCCCCC1CCCCC1,Tetra decyl cyclo hexane
419,CCCCCCCCCCCCCCCC,n-hexadecane
420,CCCCCCCCCCCCCCCC(=O)O,Hexa decanoic acid
421,CCCCCCCCCCCCCCCC(=O)OC,Methyl palmitate
422,CCCCCCCCCCCCCCCC(=O)OCC,ethyl palmitate
423,CCCCCCCCCCCCCCCC1CCCC1,Penta decyl cyclo pentane
424,CCCCCCCCCCCCCCCCC,Heptadecane
425,CCCCCCCCCCCCCCCCC1CCCC1,Hedecyl cyclo pentane
426,CCCCCCCCCCCCCCCCC1CCCCC1,n-Hexa decyl cyclo hexane
427,CCCCCCCCCCCCCCCCCC,n-octadecane
428,CCCCCCCCCCCCCCCCCC(=O)O,Stearic acid
429,CCCCCCCCCCCCCCCCCC(=O)OC,Methyl stearate
430,CCCCCCCCCCCCCCCCCC(=O)OCC,ethyl stearate
431,CCCCCCCCCCCCCCCCCC(=O)OCCCC,butyl octadecanoate
432,CCCCCCCCCCCCCCCCCCC,n-Nona decane
433,CCCCCCCCCCCCCCCCCCCC,n-eicosane
434,CCCCCCCCCCCCCCCCCCCCC,n-heneicosane
435,CCCCCCCCCCCCCCCCCCCCCC,n-docosane
436,CCCCCCCCCCCCCCCCCCCCCCC,n-tricosane
437,CCCCCCCCCCCCCCCCCCCCCCCCCC,n-hexacosane
438,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,n-triacontane
439,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,n-dotriacontane
440,CCCCCCCCCCCCCCCCO,cetyl alcohol
441,CCCCCCCCCCCCCCCCc1ccccc1,Hexa decyl benzene
442,CCCCCCCCCCCCCCc1ccccc1,Tetra decyl benzene
443,CCCCCCCCCCCCCc1ccccc1,Tridecylbenzene
444,CCCCCCCCCCCCO,dodecanol
445,CCCCCCCCCCCCc1ccccc1,Dodecyl benzene
446,CCCCCCCCCCCO,1-undecanol
447,CCCCCCCCCCCc1ccccc1,Undecyl benzene
448,CCCCCCCCCCOC(C)=O,decyl ethanoate
449,CCCCCCCCCCc1ccccc1,1-phenyldecane
450,CCCCCCCCCO,1-Nonanol
451,CCCCCCCCCOC(C)=O,nonyl ethanoate
452,CCCCCCCCCc1ccccc1,n-nonylbenzene
453,CCCCCCCCCc1ccccc1O,nonylphenol
454,CCCCCCCCO,n-octyl alcohol
455,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,dioctyl adipate
456,CCCCCCCCOC(=O)CCCCCCC,octyl octanoate
457,CCCCCCCCOC(C)=O,Acetic acid octyl ester
458,CCCCCCCCOC=O,octyl methanoate
459,CCCCCCCCc1ccccc1,Octyl benzene
460,CCCCCCCO,n-heptyl alcohol
461,CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC,di-n-heptyl phthalate
462,CCCCCCCOC(C)=O,heptyl ethanoate
463,CCCCCCCOC=O,heptyl methanoate
464,CCCCCCCS,N-heptanethiol
465,CCCCCCCc1ccccc1,n-heptylbenzene
466,CCCCCCO,1-Hexanol
467,CCCCCCOC(=O)CC(CC(=O)OCCCCCC)C(=O)OCCCCCC,"propane-1,2,3-tricarboxylic acid trihexyl ester"
468,CCCCCCOC(=O)CCCCC(=O)OCCCCCC,dihexyl adipate
469,CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC,decanedioic acid dihexyl ester
470,CCCCCCOC(=O)OCCCCCC,carbonic acid dihexyl ester
471,CCCCCCOC(C)=O,hexyl ethanoate
472,CCCCCCOC=O,hexyl methanoate
473,CCCCCCOCC,ethyl hexyl ether
474,CCCCCCOCCO,Ethylene Glycol Hexyl Ether
475,CCCCCCOCCOCCO,Diethylene Glycol Hexyl Ether
476,CCCCCCc1cccc2ccccc12,1-n-hexylnaphthalene
477,CCCCCCc1ccccc1,Hexyl benzene
478,CCCCCCl,1-Chloropentane
479,CCCCCNCCCCC,Dipentylamine
480,CCCCCO,d-amyl alcohol
481,CCCCCOC,Methyl pentyl ether
482,CCCCCOC(=O)CC(CC(=O)OCCCCC)C(=O)OCCCCC,"propane-1,2,3-tricarboxylic acid tripentyl ester"
483,CCCCCOC(=O)CCC,pentyl butanoate
484,CCCCCOC(=O)CCCCCC(=O)OCCCCC,heptanedioic acid dipentyl ester
485,CCCCCOC(=O)c1ccccc1C(=O)OCCCCC,Dipentyl o-phthalate
486,CCCCCOC(C)=O,Pentyl acetate
487,CCCCCOC=O,pentyl methanoate
488,CCCCCOCCCCC,Dipentyl ether
489,CCCCCc1ccccc1,Pentyl benzene
490,CCCCCl,N-butyl chloride
491,CCCCI,1-iodobutane
492,CCCCN(CCCC)CCCC,tri-n-butylamine
493,CCCCO,n-butyl alcohol
494,CCCCOC,Butyl methyl ether
495,CCCCOC(=O)/C=C\C(=O)OCCCC,Dibutyl maleate
496,CCCCOC(=O)C=CC(=O)OCCCC,Dibutylmaleate
497,CCCCOC(=O)CC,butyl propanoate
498,CCCCOC(=O)CC(CC(=O)OCCCC)C(=O)OCCCC,"propane-1,2,3-tricarboxylic acid tributyl ester"
499,CCCCOC(=O)CCC,butyl butyrate
500,CCCCOC(=O)CCCC,butyl pentanoate
501,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,decanedioic acid dibutyl ester
502,CCCCOC(=O)c1ccccc1C(=O)OCCCC,Dibutyl o-phthalate
503,CCCCOC(C)=O,Butyl acetate
504,CCCCOC(C)COC(C)CO,Dipropylene glycol butyl ether
505,CCCCOC(C)COC(C)COC(C)CO,Tripropylene glycol butyl ether
506,CCCCOC(C)OCCCC,"1,1-Dibutoxyethane "
507,CCCCOC=O,n-butyl formate
508,CCCCOCC,Butyl ethyl ether
509,CCCCOCC(C)OCC(C)O,dipropylene glycol n-butyl ether
510,CCCCOCCCC,Dibutyl ether
511,CCCCOCCO,2-Butoxyethanol
512,CCCCOCCOCCO,2-(2-butoxyethoxy)ethanol
513,CCCCOCCOCCOC(C)=O,Diethylene glycol monobutyl ether acetate
514,CCCCOCCOCCOCCO,Triethylene Glycol n-Butyl Ether
515,CCCCOP(=O)(OCCCC)OCCCC,Tributyl phosphate
516,CCCCOP(OCCCC)OCCCC,Tributyl phosphite
517,CCCCS,1-butyl mercaptan
518,CCCCSCCCC,di-n-butyl sulfide
519,CCCCc1ccccc1,Butylbenzene
520,CCCCl,n-propyl chloride
521,CCCI,Propyl iodide
522,CCCNCC,ethyl-n-propylamine
523,CCCNc1ccccc1,n-propylaniline
524,CCCO,n-propyl alcohol
525,CCCOC,methyl propyl ether
526,CCCOC(=O)C(C)C,propyl isobutyrate
527,CCCOC(=O)CC,n-propyl propionate
528,CCCOC(=O)CC(CC(=O)OCCC)C(=O)OCCC,"propane-1,2,3-tricarboxylic acid tripropyl ester"
529,CCCOC(=O)CCC,Propyl butyrate
530,CCCOC(=O)Cl,N-propyl chloroformate
531,CCCOC(=O)OCCC,dipropyl carbonate
532,CCCOC(C)=O,n-propyl acetate
533,CCCOC=O,propyl methanoate
534,CCCOCC,Ethyl propyl ether
535,CCCOCCC,propyl ether
536,CCCOCCO,Ethylene Glycol Propyl Ether
537,CCCOCCOCCO,diethylene glycol monopropyl ether
538,CCCO[Si](OCCC)(OCCC)OCCC,tetrapropoxysilane
539,CCCOc1ccc(C)cc1,propyl o-tolyl ether
540,CCCOc1ccccc1,Phenyl propyl ether
541,CCCSC(=O)Cl,S-propyl chlorothioformate
542,CCC[N+](=O)[O-],1-nitropropane
543,CCCc1ccccc1,propylbenzene
544,CCCl,Chloroethane
545,CCI,iodoethane
546,CCN(C=O)CC,"N,N-diethylformamide"
547,CCN(CC)C(=O)c1cccc(C)c1,Deet
548,CCN(CC)CC,triethylamine
549,CCN(CC)CCO,Diethylaminoethanol
550,CCN(CC)c1ccccc1,"n,n-Diethyl aniline"
551,CCN(Cc1ccccc1)c1ccccc1,ethylbenzylaniline
552,CCN1CCOCC1,N-ethylmorpholine
553,CCNCC,diethylamine
554,CCNc1ccccc1,n-Ethyl aniline
555,CCNc1ccccc1C,ethyl-o-toluidine
556,CCO,ethanol
557,CCOC(=O)/C=C(\CC(=O)OCC)C(=O)OCC,triethyl aconitate
558,CCOC(=O)/C=C/C(=O)OCC,diethyl fumarate
559,CCOC(=O)/C=C/c1ccccc1,Ethyl trans-cinnamate
560,CCOC(=O)/C=C\C(=O)OCC,diethyl maleate
561,CCOC(=O)C(=O)OCC,diethyl oxalate
562,CCOC(=O)C(C)(C)C(=O)OCC,diethyl dimethylmalonate
563,CCOC(=O)C(C)(C)C(C)=O,ethyl dimethylacetoacetate
564,CCOC(=O)C(C)C,ethyl isobutyrate
565,CCOC(=O)C(C)CC,ethyl a-methylbutyrate
566,CCOC(=O)C(C)O,ethyl lactate
567,CCOC(=O)C(CC)(CC)C(C)=O,ethyl diethylacetoacetate
568,CCOC(=O)C(CC)C(C)=O,ethyl ethylacetoacetate
569,CCOC(=O)C(Cl)(Cl)Cl,ethyl trichloroacetate
570,CCOC(=O)C1(C(=O)OCC)CC1,"diethyl cyclopropane 1,1-dicarboxylate"
571,CCOC(=O)C1(C(=O)OCC)CCC1,"diethylcyclobutane-1,1-dicarboxylate"
572,CCOC(=O)C1CCC1,ethyl cyclobutanecarboxylate
573,CCOC(=O)C1CCCCC1,ethyl cyclohexanecarboxylate
574,CCOC(=O)C=CC(=O)OCC,Diethyl maleate
575,CCOC(=O)CC,Ethyl propionate
576,CCOC(=O)CC#N,Ethyl cyanoacetate
577,CCOC(=O)CC(=O)OCC,diethyl malonate
578,CCOC(=O)CC(C)=O,ethyl acetoacetate
579,CCOC(=O)CC(C)C,Ethyl isovalerate
580,CCOC(=O)CCC(=O)OCC,diethyl succinate
581,CCOC(=O)CCCC(=O)OCC,diethyl glutarate
582,CCOC(=O)CCCCC(=O)OCC,diethyl adipate
583,CCOC(=O)CCCCCC(=O)OCC,diethyl n-pimelate
584,CCOC(=O)CCCCCCC(=O)OCC,diethyl suberate
585,CCOC(=O)CCCCCCCC(=O)OCC,nonanedioic acid diethyl ester
586,CCOC(=O)CCCCCCCCC(=O)OCC,decanedioic acid diethyl ester
587,CCOC(=O)CCc1ccccc1,ethyl β-phenylpropionate
588,CCOC(=O)CCl,ethyl chloroacetate
589,CCOC(=O)Cc1ccccc1,ethyl phenyl acetate
590,CCOC(=O)OCC,Diethyl carbonate
591,CCOC(=O)c1ccccc1,Ethyl benzoate
592,CCOC(=O)c1ccccc1C(=O)OCC,diethyl phthalate
593,CCOC(=O)c1ccccc1N,ethyl anthranilate
594,CCOC(=O)c1ccccc1O,ethyl salicylate
595,CCOC(C)=O,Ethyl acetate
596,CCOC(C)COC(C)CO,Dipropylene glycol ethyl ether
597,CCOC(C)COC(C)COC(C)CO,Tripropylene glycol ethyl ether
598,CCOC(C)OCC,"1,1-Diethoxyethane "
599,CCOC(N)=O,urethane
600,CCOC(OCC)OCC,Ethyl Orthoformate
601,CCOC=O,ethyl formate
602,CCOCC,Diethyl ether
603,CCOCC(C)C,ethyl isobutyl ether
604,CCOCC(C)OC(C)=O,propylene glycol ethyl ether acetate
605,CCOCCC(=O)OCC,ethyl-3-ethoxypropionate
606,CCOCCO,2-Ethoxyethanol
607,CCOCCOC(C)=O,2-Ethoxyethyl acetate
608,CCOCCOCCO,Diethylene Glycol Ethyl Ether
609,CCOCCOCCOCC,Diethylene glycol diethyl ether
610,CCOCCOCCOCCO,Triethylene glycol monoethyl ether
611,CCOCOCC,Diethoxymethane
612,CCOP(=O)(CC)OCC,Diethyl ethyl phosphonate
613,CCOP(=O)(OCC)OCC,Triethyl phosphate
614,CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1,Parathion
615,CCOP(OCC)OCC,Triethyl phosphite
616,CCOS(=O)(=O)OCC,Diethylsulfate
617,CCO[SiH](OCC)OCC,triethoxysilane
618,CCO[Si](OCC)(OCC)OCC,Ethyl silicate
619,CCOc1ccccc1,Ethyl phenyl ether
620,CCSC,Ethyl methyl sulfide
621,CCSC#N,ethyl thiocyanate
622,CCSCC,ethyl sulfide
623,CC[N+](=O)[O-],nitroethane
624,CC[SiH](CC)CC,triethylsilane
625,CC[Si](C)(O[Si](C)(C)C[Si](C)(C)C)O[Si](C)(CC)O[Si](C)(C)C[Si](C)(C)C,"6,8-diethyl-2,2,4,4,6,8,10,10,12,12-decamethyl-5,7,9-trioxa-2,4,6,8,10,12-hexasila-tridecane"
626,CC[Si](C)(O[Si](C)(C)C[Si](C)(C)C)O[Si](C)(CC)O[Si](C)(CC)O[Si](C)(C)C[Si](C)(C)C,"6,8,10-triethyl-2,2,4,4,6,8,10,12,12,14,14-undecamethyl-5,7,9,11-tetraoxa-2,4,6,8,10,12,14-heptasila-pentadecane"
627,CC[Si](CC)(CC)CC,tetraethylsilane
628,CC[Si](CC)(O[Si](C)(C)C)O[Si](C)(C)C,"3,3-diethyl-1,1,1,5,5,5-hexamethyl-trisiloxane"
629,CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,"3-ethyl-1,1,1,5,5,5-hexamethyl-3-trimethylsilanyloxy-trisiloxane"
630,CCc1ccc(C)cc1,p-ethyltoluene
631,CCc1ccc(CC)cc1,p-diethylbenzene
632,CCc1cccc(C)c1,m-ethyltoluene
633,CCc1cccc(CC)c1,m-diethylbenzene
634,CCc1cccc(CC)c1N,"2,6-diethylaniline"
635,CCc1ccccc1,ethylbenzene
636,CCc1ccccc1C,o-ethyltoluene
637,CCc1ccccc1CC,o-diethylbenzene
638,CCl,Methyl chloride
639,CI,Iodomethane
640,CN(C)C,Trimethylamine
641,CN(C)C(=O)N(C)C,tetramethylurea
642,CN(C)C=S,"N,N-dimethylthioformamide"
643,CN(C)CCO,2-dimethylaminoethanol
644,CN(C)N,"1,1-dimethylhydrazine"
645,CN(C)P(=O)(N(C)C)N(C)C,Hexamethylphosphoramide
646,CN(C)c1cccc2ccccc12,dimethyl-α-naphthylamine
647,CN(C)c1ccccc1,dimethylaniline
648,CN(c1ccccc1)c1ccccc1,N-methyldiphenylamine
649,CN1CCCC1=O,N-methylpyrrolidinone
650,CNC,dimethylamine
651,CNC(C)=O,N-Methylacetamide
652,CNC=O,N-methylformamide
653,CNCCO,2-methylaminoethanol
654,CNN,Methylhydrazine
655,CNc1ccccc1,methylaniline
656,CNc1ccccc1C,methyl-o-toluidine
657,CO,methanol
658,COC(=O)/C=C\C(=O)OC,Dimethyl maleate
659,COC(=O)C(C)C,methyl isobutyrate
660,COC(=O)C(C)O,methyl lactate
661,COC(=O)C1CCC(C(=O)OC)CC1,Dimethyl hexahydroterephthalate
662,COC(=O)C=CC(=O)OC,Dimethyl maleate
663,COC(=O)CC#N,Methyl cyanoacetate
664,COC(=O)CC(=O)OC,dimethylmalonate
665,COC(=O)CC(C)=O,methyl acetoacetate
666,COC(=O)CC(C)C,Methyl isovalerate
667,COC(=O)CCCCC(=O)OC,Dimethyl hexanedioate
668,COC(=O)CCl,Methyl chloroacetate
669,COC(=O)OC,Dimethyl carbonate
670,COC(=O)c1ccccc1,methyl benzoate
671,COC(=O)c1ccccc1C(=O)OC,dimethyl phthalate
672,COC(=O)c1ccccc1O,methyl salicylate
673,COC(C)(C)C,Tert-butyl methyl ether
674,COC(C)=O,methyl ethanoate
675,COC(C)COC(C)CO,Dipropylene glycol methyl ether
676,COC(C)COC(C)COC(C)CO,Tripropylene glycol methyl ether
677,COC(C)OC(C)OC,bis(methoxyethyl) ether
678,COC(N)=O,methyl carbamate
679,COC=O,methyl formate
680,COCC(C)C,methyl isobutyl ether
681,COCC(C)N(C(=O)CCl)c1c(C)csc1C,Dimethenamid-p
682,COCC(C)O,propylene glycol methyl ether
683,COCC(C)OC(C)=O,propylene glycol monomethyl ether acetate
684,COCCCl,1-chloro-2-methoxyethane
685,COCCO,2-Methoxyethanol
686,COCCOC,"1,2-dimethoxyethane"
687,COCCOC(C)=O,Methyl cellosolve acetate
688,COCCOCCO,2-(2-Methoxyethoxy)ethanol
689,COCCOCCOC,Diethylene glycol dimethyl ether
690,COCCOCCOCCO,triethylene glycol monomethyl ether
691,COCCOCCOCCOCCO,tetraethylene glycol monomethyl ether
692,COCCOCCOCCOCCOC,tetraethylene glycol dimethyl ether
693,COCOC,Dimethoxymethane
694,COCc1ccccc1,benzyl methyl ether
695,COP(OC)OC,Trimethyl phosphite
696,COS(=O)(=O)OC,dimethyl sulfate
697,COS(=O)OC,Dimethyl sulfite
698,COc1cc(C)ccc1C(C)C,thymyl methyl ether
699,COc1ccc(C)cc1,p-cresyl methyl ether
700,COc1ccc(C=O)cc1,methoxybenzaldehyde
701,COc1ccc(N)cc1,p-anisidine
702,COc1ccc(O)cc1,p-methoxyphenol
703,COc1ccc(OC)cc1,Hydroquinone dimethyl ether
704,COc1cccc(C)c1,m-cresyl methyl ether
705,COc1ccccc1,Methoxybenzene
706,COc1ccccc1C,o-cresyl methyl ether
707,COc1ccccc1O,guaiacol
708,COc1ccccc1OC,"1,2-dimethoxybenzene"
709,CS(C)=O,Dimethyl sulfoxide
710,CSC,Dimethyl sulfide
711,CSN1CCCC1=O,N-methylthiopyrrolidinone
712,CSSC,Dimethyl disulfide
713,C[C@@H](O)c1ccccc1,alpha-methylbenzyl alcohol
714,C[C@@H]1CCCC[C@@H]1C,"cis-1,2-dimethylcyclohexane"
715,C[C@@H]1CCCC[C@H]1C,"trans-1,2-dimethylcyclohexane"
716,C[C@@H]1CCCC[C@H]1O,trans-2-Methylcyclohexanol
717,C[C@@H]1CCC[C@@H](C)C1,"trans-1,3-dimethylcyclohexane"
718,C[C@@H]1CCC[C@@H](O)C1,trans-3-methylcyclohexanol
719,C[C@@H]1CCC[C@H](C)C1,"cis-1,3-dimethylcyclohexane"
720,C[C@@H]1CCC[C@H](O)C1,cis-3-Methylcyclohexanol
721,C[C@H]1CCCC[C@H]1O,cis-2-Methylcyclohexanol
722,C[C@H]1CCC[C@@H](O)C1,cis-3-methylcyclohexanol
723,C[C@H]1CCC[C@H](O)C1,trans-3-Methylcyclohexanol
724,C[C@H]1CC[C@@H](C)CC1,"cis-1,4-dimethylcyclohexane"
725,C[C@H]1CC[C@@H](O)CC1,cis-4-methylcyclohexanol
726,C[C@H]1CC[C@H](C)CC1,"trans-1,4-dimethylcyclohexane"
727,C[N+](=O)[O-],nitromethane
728,C[Si](C)(C)C,Tetramethylsilane
729,C[Si](C)(C)C[Si](C)(C)O[Si](C)(C)C,"2,2,4,4,6,6-hexamethyl-3-oxa-2,4,6-trisila-heptane"
730,C[Si](C)(C)C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C[Si](C)(C)C," 2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-5,7,9-trioxa-2,4,6,8,10,12-hexasila-tridecane"
731,C[Si](C)(C)C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C[Si](C)(C)C,"2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecamethyl-5,7,9,11-tetraoxa-2,4,6,8,10,12,14-heptasila-pentadecane"
732,C[Si](C)(C)O[Si](C)(C)C,"1,1,1,3,3,3-hexamethyldisiloxane"
733,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,octamethyltrisiloxane
734,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,Decamethyltetrasiloxane
735,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,dodecamethylpentasiloxane
736,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,tetradecamethylhexasiloxane
737,C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,"1,1,1,3,5,5,5-heptamethyl-3-trimethylsilanyloxy-trisiloxane"
738,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1,hexamethyl-cyclotrisiloxane
739,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,Octamethylcyclotetrasiloxane
740,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,Decamethylcyclopentasiloxane
741,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,tetradecamethyl-cycloheptasiloxane
742,Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,"2,6-di-tert-butyl-p-cresol"
743,Cc1cc(C)cc(C)c1,Mesitylene
744,Cc1cc(C)cc(O)c1,"3,5-Dimethylphenol"
745,Cc1cc(C)nc(C)c1,"2,4,6-trimethylpyridine"
746,Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,"3,5-dinitrotoluene"
747,Cc1cc([N+](=O)[O-])ccc1[N+](=O)[O-],"2,5-dinitrotoluene"
748,Cc1ccc(C)c(C)c1,"1,2,4-Trimethylbenzene"
749,Cc1ccc(C)c(O)c1,"2,5-Dimethylphenol"
750,Cc1ccc(C)cc1,p-xylene
751,Cc1ccc(Cl)cc1,4-chlorotoluene
752,Cc1ccc(F)cc1,p-Fluorotoluene
753,Cc1ccc(N(C)C)cc1,dimethyl-p-toluidine
754,Cc1ccc(N)cc1,4-Amino toluene
755,Cc1ccc(O)cc1,p-Cresol
756,Cc1ccc(O)cc1C,"3,4-Dimethylphenol"
757,Cc1ccc([N+](=O)[O-])cc1,p-Nitrotoluene
758,Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],"2,4-dinitrotoluene"
759,Cc1cccc(C)c1,m-xylene
760,Cc1cccc(C)c1C,"1,2,3-trimethylbenzene "
761,Cc1cccc(C)c1N,"2,6-xylidine"
762,Cc1cccc(C)n1,"2,6-lutidine"
763,Cc1cccc(F)c1,m-Fluorotoluene
764,Cc1cccc(N)c1,m-toluidine
765,Cc1cccc(O)c1,m-Cresol
766,Cc1cccc([N+](=O)[O-])c1,m-Nitrotoluene
767,Cc1ccccc1,toluene
768,Cc1ccccc1C,o-xylene
769,Cc1ccccc1C(C)C,o-cymene
770,Cc1ccccc1Cl,2-chlorotoluene
771,Cc1ccccc1F,o-Fluorotoluene
772,Cc1ccccc1N,2-Amino toluene
773,Cc1ccccc1N(C)C,dimethyl-o-toluidine
774,Cc1ccccc1O,O-Cresol
775,Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,Tri-o-tolyl phosphate
776,Cc1ccccc1[N+](=O)[O-],o-Nitro toluene
777,Cc1ccccn1,α-picoline
778,Cc1cccnc1,β-picoline
779,Cc1ccnc(C)c1,"2,4-dimethylpyridine"
780,Cc1ccncc1,4-methylpyridine
781,ClC(Cl)(Cl)Br,Bromotrichloromethane
782,ClC(Cl)(Cl)C(Cl)(Cl)Cl,hexachloroethane
783,ClC(Cl)(Cl)Cl,carbon tetrachloride
784,ClC(Cl)(Cl)c1ccccc1,Phenyl chloroform
785,ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl,"Hexachloro-1,3-butadiene"
786,ClC(Cl)=C(Cl)Cl,tetrachloroethylene
787,ClC(Cl)C(Cl)(Cl)Cl,Pentachloroethane
788,ClC(Cl)C(Cl)Cl,"1,1,2,2-Tetra chloro ethane"
789,ClC(Cl)Cl,Chloroform
790,ClC=CCl,"Cis-1,2-dichloroethylene"
791,ClCC(Cl)(Cl)Cl,"1,1,1,2-tetrachloroethane"
792,ClCC(Cl)CCl,"1,2,3-trichloropropane"
793,ClCC(Cl)Cl,"1,1,2-trichloroethane"
794,ClCCCCl,"l,3-dichloropropane"
795,ClCCCc1ccccc1,γ-chloropropylbenzene
796,ClCCCl,"1,2-Dichloro ethane"
797,ClCCOCCCl,di(2-chloroethyl) ether
798,ClCCc1ccccc1,β-chloroethylbenzene
799,ClCCl,Dichloromethane
800,ClCl,chlorine
801,ClSCl,Sulfur dichloride
802,Cl[SiH](Cl)Cl,Trichlorosilane
803,Clc1ccc(Cl)c(Cl)c1,"1,2,4-trichlorobenzene"
804,Clc1ccc(Cl)cc1,p-Dichlorobenzene
805,Clc1cccc2ccccc12,1-Chloronaphthalene
806,Clc1ccccc1,chlorobenzene
807,FC(Cl)(Cl)C(F)(Cl)Cl,"1,1,2,2-Tetrachlorodifluoroethane"
808,FC(Cl)(Cl)Cl,Trichlorofluoromethane
809,FC(Cl)C(F)(F)F,"2-chloro-1,1,1,2-tetrafluoroethane"
810,FC(F)(Br)C(F)(F)Br,"1,2-dibromotetrafluoroethane"
811,FC(F)(Cl)C(Cl)(Cl)Cl,"1,1,1,2-tetrachloro-2,2-difluoroethane"
812,FC(F)(Cl)C(F)(Cl)Cl,"1,1,2-trichloro-1,2,2-trifluoroethane"
813,FC(F)(Cl)Cl,Dichlorodifluoromethane
814,FC(F)(F)C(Cl)(Cl)Cl,Trichloro trifluoro ethane
815,FC(F)(F)C(F)(Br)Br,Dibromotetrafluoroethane
816,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,perfluoro-n-heptane
817,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,perfluoro-n-hexane
818,FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,perfluoro-methylcyclohexane
819,FC(F)(F)C1CCCCC1,Trifluoro methyl chclo hexane
820,FC(F)(F)c1ccccc1,Trifluoro toluene
821,FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F,perfluoro-decalin
822,FCC(F)(F)F,"1,1,1,2-tetrafluoroethane"
823,FCCF,"1,2-Difluoro ethane"
824,FS(F)(F)(F)(F)F,Sulfur hexafluoride
825,Fc1ccccc1,fluorobenzene
826,ICI,diiodomethane
827,II,iodine
828,Ic1ccccc1,iodobenzene
829,N,ammonia
830,N#CCCC#N,Succinonitrile
831,N#CCCCCC#N,Adiponitrile
832,N#CCc1ccccc1,benzyl cyanide
833,N#CSc1ccccc1,phenyl thiocyanate
834,N#Cc1ccccc1,Benzonitrile
835,NC(=O)Cc1ccccc1,2-Phenylacetamide
836,NC(=O)OCCO,Hydroxyethyl carbamate
837,NC(CO)C(O)c1ccc([N+](=O)[O-])cc1,Phenyl acetic acid
838,NC(N)=O,Urea
839,NC=O,Formamide
840,NCCCc1ccccc1,3-phenylpropylamine
841,NCCN,ethylenediamine
842,NCCNCCN,Diethylenetriamine
843,NCCO,2-aminoethanol
844,NCc1ccccc1,benzylamine
845,Nc1ccc(Cc2ccc(N)cc2)cc1,"4,4'-diaminodiphenylmethane"
846,Nc1ccc(Cl)cc1,p-chloroaniline
847,Nc1ccc(Nc2ccccc2)cc1,P-aminodiphenylamine
848,Nc1ccc2ccccc2c1,β-naphthylamine
849,Nc1cccc(Cl)c1,m-chloroaniline
850,Nc1cccc2ccccc12,α-naphthylamine
851,Nc1ccccc1,aniline
852,Nc1ccccc1Cl,o-chloroaniline
853,O=C(Cl)Cl,Phosgene
854,O=C(Cl)OCc1ccccc1,Benzyl chloroformate
855,O=C(Cl)c1ccccc1,benzoyl chloride
856,O=C(O)C(Cl)Cl,Dichloroacetic acid
857,O=C(O)C(F)(F)F,Trifluoro acetic acid
858,O=C(O)C1CCC1,cyclobutanecarboxylic acid
859,O=C(O)C1CCCCC1,hexahydrobenzoic acid
860,O=C(O)CC(O)C(=O)O,Malic acid
861,O=C(O)CCc1ccccc1,β-phenylpropionic acid
862,O=C(O)CCl,Chloroacetic acid
863,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)C(COCc1ccccc1)C(=O)O,Gadobenate dimeglumine
864,O=C(O)CN1CCN(CC(=O)O)CCN(C(CO)C(O)CO)CCN(CC(=O)O)CC1,Gadobutrol
865,O=C(O)CS,Mercaptoacetic acid
866,O=C(O)Cc1ccccc1,phenylacetic acid
867,O=C(O)c1ccccc1,benzoic acid
868,O=C(OCC1CCCO1)C(F)(F)F,Trifluoro acetic acid-2 -propyl ester
869,O=C(OCc1ccccc1)c1ccccc1,benzyl benzoate
870,O=C(c1ccccc1)c1ccccc1,Benzo phenone
871,O=C1C=CC(=O)O1,Maleic anhydride
872,O=C1CCCC1,Cyclopentanone
873,O=C1CCCCC1,cyclohexanone
874,O=C1CCCCCC1,suberone
875,O=C1CCCCCN1,Caprolactam
876,O=C1CCCN1,2-pyrrolidinone
877,O=C1CCCO1,4-butyrolactone
878,O=C1OCCO1,Ethylene carbonate
879,O=CC(Br)(Br)Br,bromal
880,O=CC(Cl)(Cl)Cl,chloral
881,O=CC=Cc1ccccc1,cinnamaldehyde
882,O=CNc1ccccc1,formanilide
883,O=CO,formic acid
884,O=Cc1ccc(O)cc1,p-hydroxybenzaldehyde
885,O=Cc1ccccc1,Benzaldehyde
886,O=Cc1ccccc1O,salicylaldehyde
887,O=Cc1ccco1,furfural
888,O=NCl,nitrosyl chloride
889,O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,triphenyl phosphate
890,O=S(=O)(Cl)Cl,Sulfuryl chloride
891,O=S(=O)(O)O,Sulfuric acid
892,O=S1(=O)CCCC1,Sulfolane
893,O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],Tetranitromethane
894,O=[N+]([O-])O,Nitric acid
895,O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],Glycerol tris(nitrate)
896,O=[N+]([O-])OCCO[N+](=O)[O-],Ethylene glycol dinitrate
897,O=[N+]([O-])[N+](=O)[O-],nitrogen tetroxide
898,O=[N+]([O-])c1ccc(Cl)cc1,1-chloro-4-nitrobenzene
899,O=[N+]([O-])c1cccc(C(F)(F)F)c1,M-(trifluoromethyl)nitrobenzene
900,O=[N+]([O-])c1cccc([N+](=O)[O-])c1,m-dinitrobenzene
901,O=[N+]([O-])c1ccccc1,nitrobenzene
902,O=[N+]([O-])c1ccccc1Cl,1-chloro-2-nitrobenzene
903,O=[N+]([O-])c1ccccc1O,o-nitrophenol
904,OC(F)(C(F)F)C(F)(F)F,hexafluoro-2-propanol
905,OC(O)C(Br)(Br)Br,bromal hydrate
906,OC1CCCC1,Cyclopentanol
907,OC1CCCCC1,cyclohexanol
908,OCC(F)(F)F,"2,2,2-trifluoroethanol"
909,OCC(O)CO,Glycerol
910,OCC1CCCCO1,Tetrahydropyran-2-methanol
911,OCC1CCCO1,Tetrahydro-2-furanmethanol
912,OCCCCCCCCCCO,"decan-1,10-diol"
913,OCCCO,"1,3-Propanediol"
914,OCCCc1ccccc1,3-phenyl-1-propanol
915,OCCCl,2-chloroethanol
916,OCCO,"1,2-Ethanediol"
917,OCCOCCOCCO,Triethylene glycol
918,OCCOCCOCCOCCO,tetraethylene glycol
919,OCCc1ccccc1,2-Phenyl ethanol
920,OCc1ccccc1,Benzyl alcohol
921,OCc1ccco1,2-Furanmethanol
922,OO,Hydrogen peroxide
923,Oc1ccc(Cl)cc1,p-chlorophenol
924,Oc1cccc(Cl)c1,m-chlorophenol
925,Oc1ccccc1,phenol
926,Oc1ccccc1Cl,o-Chloro phenol
927,S=C=NC1CC1,Methyl butyrate
928,S=C=S,Carbon disulfide
929,c1cc[nH]c1,Pyrrole
930,c1ccc(-c2cccc(-c3ccccc3)c2)cc1,m-terphenyl
931,c1ccc(-c2ccccc2)cc1,Biphenyl
932,c1ccc(-c2ccccc2-c2ccccc2)cc1,o-Terphenyl
933,c1ccc(C(c2ccccc2)c2ccccc2)cc1,triphenylmethane
934,c1ccc(C2CO2)cc1,"Styrene-7,8-oxide"
935,c1ccc(CCc2ccccc2)cc1,"1,2-diphenylethane"
936,c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1,tribenzylamine
937,c1ccc(CNCc2ccccc2)cc1,dibenzylamine
938,c1ccc(CNc2ccccc2)cc1,Benzyl phenyl amine
939,c1ccc(COCc2ccccc2)cc1,Dibenzylether
940,c1ccc(N(c2ccccc2)c2ccccc2)cc1,triphenylamine
941,c1ccc(Nc2ccccc2)cc1,Diphenyl amine
942,c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1,Triphenyl phosphite
943,c1ccc(Oc2ccccc2)cc1,diphenyl ether
944,c1ccc(P(c2ccccc2)c2ccccc2)cc1,triphenylphosphine
945,c1ccc2c(c1)CCC2,indane
946,c1ccc2c(c1)CCCC2,"1,2,3,4-Tetrahydronaphthalene"
947,c1ccc2c(c1)CCCN2,"1,2,3,4-tetrahydroquinoline"
948,c1ccc2c(c1)ccc1ccccc12,phenanthrene
949,c1ccc2ccccc2c1,naphthalene
950,c1ccc2cnccc2c1,isoquinoline
951,c1ccc2ncccc2c1,quinoline
952,c1ccccc1,Benzene
953,c1ccncc1,pyridine
954,c1ccoc1,Furan
955,c1ccsc1,Thiophene
956,c1cncnc1,pyrimidine