| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 91-047-9 |
But-2-enamide, N-(2-fluorophenyl)-3-methyl-
|
|
3 | 151.110 |
| 91-159-5 |
2-phenyl-4-isopentyl-tetrahydro-1,4-oxazine
|
|
3 | 203.440 |
| 91-206-2 |
Thiophene-2-carboxamide, N-ethyl-N-2-ethylhexyl-
|
|
3 | 230.650 |
| 91-287-3 |
Cyclopenta[c]pyran-7-carboxaldehyde, 4-[(acetyloxy)methyl]-
|
18234-46-3 |
3 | 155.900 |
| 91-288-2 |
8-ACETYL-7-HYDROXY-4-METHYLCHROMEN-2-ONE
|
|
3 | 155.900 |
| 91-420-4 |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, nonyl ester
|
|
3 | 380.340 |
| 91-554-6 |
4,5-DIMETHYL-1,3-DIOXOL-2-ONE
|
|
3 | 79.460 |
| 92-218-8 |
1-(5-methyl-2-furanyl)-1,2-butadione
|
|
3 | 127.220 |
| 92-492-4 |
1,3-Cyclohexadien-5-yne,1,2-dichloro-
|
24634-92-2 |
3 | 91.820 |
| 92-826-3 |
Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-
|
428-37-5 |
3 | 189.350 |
| 93-376-2 |
1,2,3,4,7,9-hexabromo-dibenzofuran
|
|
3 | 232.430 |
| 93-377-1 |
1,2,3,4,6,8-hexabromo-dibenzofuran
|
|
3 | 232.430 |
| 93-524-7 |
Acetamide, N-(2-iodo-4-methylphenyl)-2-phenyl-
|
|
3 | 212.060 |
| 93-971-1 |
1,2,3,4-Tetrahydroquinoline, N-(3-chloropropyl)-
|
|
3 | 167.540 |
| 94-280-7 |
N-(4-Aminobutyl)acetamide, N,N'-bis(trifluoroacetyl)
|
|
3 | 187.050 |
| 94-339-2 |
1,3,4-Trimethylpyrrolo[1,2-a]pyrazine
|
|
3 | 132.800 |
| 94-370-7 |
5-(3-hydroxypropionyl)-2,3-dihydro-1H-pyrrolizine
|
|
3 | 138.860 |
| 94-524-6 |
1,6-dimethyl-3-isobutyl-2(1H)-pyrazinone
|
|
3 | 153.830 |
| 94-533-6 |
5-sec-butyl-3-methyl-2-(methylthio)pyrazine
|
|
3 | 164.310 |
| 94-662-3 |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, butyl ester
|
|
3 | 309.890 |
| 94-695-7 |
Phenylphosphonic acid, 2,4,4-trimethylpentyl heptyl ester
|
|
3 | 321.060 |
| 94-825-2 |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, decyl ester
|
|
3 | 394.430 |
| 94-951-2 |
L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, (1R)-(-)-menthyl ester
|
|
3 | 380.340 |
| 94-958-5 |
Phenylphosphonic acid, 2,4,4-trimethylpentyl dodecyl ester
|
|
3 | 391.510 |
| 95-033-0 |
L-Proline, N-(thiophen-2-carbonyl)-, hexadecyl ester
|
|
3 | 382.220 |
| 95-358-0 |
L-Proline, N-(thiophen-2-carbonyl)-, pentadecyl ester
|
|
3 | 368.130 |
| 95-417-4 |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, octyl ester
|
|
3 | 366.250 |
| 95-618-1 |
L-Proline, N-(thiophen-2-carbonyl)-, tetradecyl ester
|
|
3 | 354.040 |
| 95-660-4 |
Phenylphosphonic acid, 2,4,4-trimethylpentyl decyl ester
|
|
3 | 363.330 |
| 96-053-7 |
L-Proline, N-(thiophen-2-carbonyl)-, dodecyl ester
|
|
3 | 325.860 |
| 96-115-8 |
Phenylphosphonic acid, 2,4,4-trimethylpentyl octyl ester
|
|
3 | 335.150 |
| 96-121-1 |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, pentyl ester
|
|
3 | 323.980 |
| 96-394-9 |
L-Proline, N-(thiophen-2-carbonyl)-, nonyl ester
|
|
3 | 283.590 |
| 96-549-7 |
Glycine, 2-cyclohexyl-N-(3-chloropropoxycarbonyl)-, octyl ester
|
|
3 | 318.900 |
| 96-569-5 |
Isophthalic acid, diamide N,N'-di(2-fluorophenyl)-
|
|
3 | 248.020 |
| 97-079-8 |
3,5-dimethyl-6-ethyl-2(1H)-pyrazinone
|
|
3 | 125.650 |
| 97-108-5 |
3,5-dimethyl-6-propyl-2(1H)-pyrazinone
|
|
3 | 139.740 |
| 97-109-4 |
3-methyl-5,6-diethyl-2(1H)-pyrazinone
|
|
3 | 139.740 |
| 97-114-8 |
5-(Hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
|
|
3 | 141.500 |
| 97-201-1 |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, tridecyl ester
|
|
3 | 436.700 |
| 97-530-6 |
L-Proline, N-(thiophen-2-carbonyl)-, octyl ester
|
|
3 | 269.500 |
| 97-655-8 |
Phenylphosphonic acid, 2,4,4-trimethylpentyl pentyl ester
|
|
3 | 292.880 |
| 97-666-6 |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, ethyl ester
|
|
3 | 281.710 |
| 97-707-0 |
Carbonic acid, monoamide, N-2-ethylhexyl-, menthyl ester
|
|
3 | 285.130 |
| 97-867-3 |
3,3-Diisopentenyl-N-methyl-2,4-quinoldione
|
|
3 | 262.560 |
| 98-145-3 |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, propyl ester
|
|
3 | 295.800 |
| 98-274-0 |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, undecyl ester
|
|
3 | 408.520 |
| 98-791-6 |
3,6-dimethyl-5-ethyl-2(1H)-pyrazinone
|
|
3 | 125.650 |
| 98-829-4 |
3,6-dimethyl-5-propyl-2(1H)-pyrazinone
|
|
3 | 139.740 |
| 98-868-1 |
Quinoxaline-2-carbonitrile, 3-amino-, 1,4-dioxide
|
23190-84-3 |
3 | 137.510 |
| 99-072-3 |
Phenylphosphonic acid, 2,4,4-trimethylpentyl nonyl ester
|
|
3 | 349.240 |
| 99-073-2 |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, hexyl ester
|
|
3 | 338.070 |
| 99-401-7 |
Phenylphosphonic acid, 2,4,4-trimethylpentyl butyl ester
|
|
3 | 278.790 |
| 99-402-6 |
Phenylphosphonic acid, 2,4,4-trimethylpentyl isobutyl ester
|
|
3 | 278.790 |
| 100-612-0 |
5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide
|
|
3 | 169.430 |
| 107-641-1 |
5-fluoro-1-(phenylmethyl)pyrimidine-2,4-dione
|
|
3 | 151.800 |
| 107-921-0 |
3-hydroxy-2-methyl-1-phenylpyridin-4-one
|
|
3 | 154.140 |
| 108-721-1 |
9-[(1,3-dihydroxy-2-propoxy)methyl] guanine
|
|
3 | 172.130 |
| 110-147-6 |
methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
|
|
3 | 218.130 |
| 112-668-6 |
O-(2-Chloro-1,1-difluoroethyl)-N-propylamidomethanethionophosphonate
|
|
3 | 163.840 |
| 113-231-9 |
2,2'-Dithio bis 4-(n-heptylsulfonylmethyl) thiazole
|
|
3 | 423.460 |
| 113-486-7 |
1,3,5-Trinitroso-1,3,5-triazacyclohexane
|
|
3 | 106.860 |
| 113-592-9 |
Benzoic acid, p-[3-(2-chloroethyl)-3-nitrosoureido]-
|
13909-25-6 |
3 | 180.760 |
| 113-924-0 |
4-Isoxazolecarboxylic acid, 3-(o-chlorophenyl)-5-methyl-
|
23598-72-3 |
3 | 158.160 |
| 114-484-8 |
L-Proline, N-(2,4-difluorobenzoyl)-, dodecyl ester
|
|
3 | 336.930 |
| 114-487-5 |
L-Proline, N-(2,4-difluorobenzoyl)-, decyl ester
|
|
3 | 308.750 |
| 114-495-6 |
L-Proline, N-(2,4-difluorobenzoyl)-, pentadecyl ester
|
|
3 | 379.200 |
| 114-697-2 |
L-Proline, N-(2,6-difluorobenzoyl)-, undecyl ester
|
|
3 | 322.840 |
| 114-966-3 |
Isonipecotinoylisonipecotic acid, N'-(3,4-difluorobenzoyl)-, isobutyl ester
|
|
3 | 323.530 |
| 115-069-8 |
Isonipecotic acid, N-(2,5-difluorobenzoyl)-, dodecyl ester
|
|
3 | 351.020 |
| 115-160-6 |
4-hydroxy-3,5-methoxybenzaldehyde O-pentafluorophenylmethyl-oxime
|
|
3 | 226.790 |
| 115-275-9 |
L-Proline, N-(2,6-difluorobenzoyl)-, pentadecyl ester
|
|
3 | 379.200 |
| 115-276-8 |
L-Proline, N-(2,6-difluorobenzoyl)-, tetradecyl ester
|
|
3 | 365.110 |
| 115-277-7 |
L-Proline, N-(2,6-difluorobenzoyl)-, dodecyl ester
|
|
3 | 336.930 |
| 115-282-1 |
L-Proline, N-(2,6-difluorobenzoyl)-, hexadecyl ester
|
|
3 | 393.290 |
| 115-469-4 |
p-Fluoro-L-phenylalanine, N-dimethylaminomethylene-, methyl ester
|
|
3 | 195.140 |
| 115-771-8 |
2-Perfluoroheptyl-5-phenyl-1,3,4-oxadiazole
|
5756-55-8 |
3 | 231.370 |
| 115-969-9 |
Pyrazine, 2-ethoxy-3-methyl-5-(2-methylpentyl)
|
|
3 | 196.100 |
| 116-184-9 |
3-Methyl-1-benzoyl-(1H)-1,2-diazepine
|
69298-66-4 |
3 | 168.040 |
| 116-459-4 |
L-Proline, N-(3,4-difluorobenzoyl)-, heptadecyl ester
|
|
3 | 407.380 |
| 116-915-7 |
Methyldithiophosphonic acid, S-isobutyl, S-(2-diethylaminoethyl) ester
|
|
3 | 234.860 |
| 117-127-1 |
L-Proline, N-(2,4-difluorobenzoyl)-, heptadecyl ester
|
|
3 | 407.380 |
| 117-128-0 |
L-Proline, N-(2,4-difluorobenzoyl)-, hexadecyl ester
|
|
3 | 393.290 |
| 117-129-9 |
L-Proline, N-(2,4-difluorobenzoyl)-, tetradecyl ester
|
|
3 | 365.110 |
| 117-370-1 |
Furan-2-carboxamide, N-butyl-N-2-ethylhexyl-
|
|
3 | 248.350 |
| 117-437-7 |
Phenylphosphonic acid, 2,4,4-trimethylpentyl ethyl ester
|
|
3 | 250.610 |
| 117-710-3 |
Isonipecotinoylisonipecotic acid, N'-(2,4-difluorobenzoyl)-, ethyl ester
|
|
3 | 295.350 |
| 118-093-8 |
O,O-Diisopropyl-S-(1,1-difluoroethyl)-dithiophosphate
|
|
3 | 192.020 |
| 118-264-8 |
Pyrazine, 2-[5-(hydroxymethyl)furfuryl]-3,5-dimethyl
|
|
3 | 168.420 |
| 118-271-0 |
Diphosphine, 1,1-dimethyl-2,2-bis(trifluoromethyl)-
|
666-62-6 |
3 | 118.760 |
| 118-494-3 |
4-Oxo-2-nonenal, bis-PFBO, # 1
|
|
3 | 323.910 |
| 118-524-9 |
4-Oxo-2-nonenal, bis-PFBO, # 2
|
|
3 | 323.910 |
| 118-696-9 |
L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, decyl ester
|
|
3 | 344.010 |
| 118-698-7 |
L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, tetradecyl ester
|
|
3 | 400.370 |
| 118-702-1 |
L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, heptadecyl ester
|
|
3 | 442.640 |
| 118-917-3 |
L-Proline, N-(2,4-difluorobenzoyl)-, isohexyl ester
|
|
3 | 252.390 |
| 119-139-6 |
D-Ornithine, N,N'-bis(dimethylaminomethylene)-, ethyl ester
|
|
3 | 232.790 |
| 119-416-8 |
L-Proline, N-(2,6-difluorobenzoyl)-, butyl ester
|
|
3 | 224.210 |
| 119-423-0 |
L-Proline, N-(2,6-difluorobenzoyl)-, decyl ester
|
|
3 | 308.750 |
| 119-424-9 |
L-Proline, N-(2,6-difluorobenzoyl)-, pentyl ester
|
|
3 | 238.300 |
|
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