| ID | Name | CAS | Data |
McVol (ml/mol) |
| 35-570-0 |
Acetamide, N-(2-iodo-4-methylphenyl)-2-(2-thienyl)-
|
|
4 | 204.530 |
| 36-244-1 |
Carbazic acid, 3-(5-nitro-2-furoyl)-, ethyl ester
|
90223-46-4 |
4 | 156.380 |
| 37-629-3 |
O-Ethyl-O-(2-bromo-1,1-difluoroethyl)ethanethionophosphonate
|
|
4 | 149.050 |
| 38-362-8 |
Imidazole, 1-[1-(4-chloro-2-trifluoromethylphenylimino)-2-propoxyethyl
|
|
4 | 213.960 |
| 38-597-8 |
4,5-Isoxazoledione, 3-methyl-, 4-[(2-chlorophenyl)hydrazone]
|
|
4 | 158.160 |
| 38-889-4 |
Cyclohexanevaleric acid, 4,4-dimethyl-d,2,6-trioxo-
|
|
4 | 195.320 |
| 39-180-9 |
2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
|
|
4 | 111.180 |
| 40-910-6 |
1,3-Dioxane, 2,4-diisopropyl-5,5-dimethyl-
|
3494-76-6 |
4 | 180.820 |
| 42-764-7 |
2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-
|
|
4 | 106.380 |
| 43-271-3 |
N,N-Dimethyl-2-phenyl-N'-(4-bromophenyl)-acetamidine
|
|
4 | 221.940 |
| 43-925-7 |
O-n-propyl-o-(2,4,5-trichlorophenyl) chlorothiophosphate
|
116402-08-5 |
4 | 211.420 |
| 44-102-9 |
2,3-bis-(Bromomethyl)-1,4-dibromo-2-butene
|
30432-16-7 |
4 | 161.100 |
| 45-471-9 |
Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, neopentyl ester
|
|
4 | 253.060 |
| 47-065-8 |
5-formyl-6-methyl-2,3-dihydro-(1H)-pyrrolizine
|
|
4 | 118.900 |
| 47-215-1 |
L-Tyrosine, N,O-bis(2-trifluoromethylbenzoyl)-, methyl ester
|
|
4 | 342.970 |
| 50-291-3 |
6-Chloro-4-nitro-benzo-1,2,3-triazole
|
13091-80-0 |
4 | 116.080 |
| 50-616-2 |
Spiro[2.4]heptane, 1,5-dimethyl-6-methylene-
|
|
4 | 125.740 |
| 53-143-4 |
4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
|
6250-80-2 |
4 | 129.760 |
| 56-542-8 |
4,4,6-Trimethyl-2-vinyl-1,3-dioxane
|
|
4 | 134.250 |
| 57-242-0 |
m-Chlorobenzyliden-5,6,7,8-tetrahydronaphthyl-2-acetonitrile
|
21848-13-5 |
4 | 229.510 |
| 58-413-9 |
Spiro-2-cyclohexene-4-one-1,2'-(5-norbornene)
|
|
4 | 140.330 |
| 60-776-4 |
1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monoformate
|
116373-50-3 |
4 | 140.120 |
| 60-964-5 |
2,2,5,5,9b,9c,10a,10b-octachlorobornane
|
|
4 | 227.960 |
| 61-342-4 |
Tris[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate
|
|
4 | 575.300 |
| 61-812-2 |
D-fructopyranose, 2,3:5,6-di-o-isopropylidene-,
|
|
4 | 182.580 |
| 62-334-2 |
1,6-DIOXASPIRO(4.4)NONANE-2,7-DIONE
|
|
4 | 102.650 |
| 62-833-8 |
5Beta-androstan-12-one,17beta-acetamido-3alpha-hydroxy-,acetate
|
16319-63-4 |
4 | 312.050 |
| 63-115-4 |
8-Quinolinecarboxylic acid, 7-chloro-3-methyl- , methyl ester
|
|
4 | 166.380 |
| 63-409-8 |
Pyrazol, 3(5)-butyl-5(3)-methyl, 1-benzoyl
|
|
4 | 200.520 |
| 63-837-3 |
Aniline, 4-(n,n-dimethylamino)-2-(3,4-dimethylphenylsulfonyl)-
|
|
4 | 236.830 |
| 64-224-2 |
1,2,5-Thiadiazole, 3-(n-butylcarbamoyl)-4-ureido-
|
7501-18-0 |
4 | 173.510 |
| 64-844-4 |
Hexanoic acid, 3-hydroxy-2,2-dimethyl-, beta-lactone
|
90112-82-6 |
4 | 120.160 |
| 65-643-6 |
1H-1,2,4-Triazole, 3-bromo-5-methyl-
|
|
4 | 81.110 |
| 66-252-9 |
2,2,4,4-Tetramethyl-1,3-cyclobutane diamine
|
|
4 | 132.680 |
| 66-315-9 |
D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester
|
|
4 | 266.790 |
| 67-533-6 |
O-Ethyl-O-(2-chloro-1,1-difluoroethyl)ethanethiophosphonate
|
|
4 | 159.730 |
| 67-619-1 |
D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester
|
|
4 | 238.610 |
| 67-766-8 |
P-cresol, 2,2'-ethylidene bis(6-(1-methylcyclohexyl))-
|
|
4 | 376.060 |
| 68-274-3 |
.alpha.-hydroxy-diphenylacetic acid, 1-methyl -4-piperidinyl ester
|
|
4 | 257.570 |
| 69-157-2 |
1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monoacetate
|
|
4 | 154.210 |
| 69-419-1 |
BENZO[B]-1,4-DIAZABICYCLO[2.2.2]OCTENE
|
|
4 | 126.240 |
| 71-918-4 |
5«beta»-Pregnane-3,20-dione, bis(O-methyloxime)
|
3091-37-0 |
4 | 314.590 |
| 74-091-9 |
octahydro-5,5,8a-trimethyl-2-methylene-1-naphthylacetaldehyde
|
|
4 | 207.550 |
| 77-173-5 |
2,5-dimethyl-4-(3-methylbutoxy)-3(2H)furanone
|
|
4 | 164.000 |
| 77-237-4 |
Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-tetradecyl-
|
|
4 | 386.160 |
| 78-925-9 |
N-2(2,4-dichlorophenoxy)-ethyl alpha,alpha-dichloropropionamide
|
116402-50-7 |
4 | 208.470 |
| 80-727-6 |
Butyramide, 2,2,3,3,4,4,4-heptafluoro-
|
|
4 | 91.160 |
| 80-884-2 |
3-ethyl-5-methyl-1,2,4-trithiolane, A
|
|
4 | 119.500 |
| 80-891-4 |
trans-3-ethyl-5-methyl-1,2,4-trithiolane
|
|
4 | 119.500 |
| 81-518-7 |
3Beta-hydroxy-24beta-methyl-5alpha-cholest-14-ene, benzoate
|
|
4 | 439.950 |
| 82-448-4 |
Propionic acid, (2,2,4,4-tetramethylcyclobutane dioxy)bis-
|
|
4 | 223.880 |
| 82-747-2 |
N-(2-chloroethyl)-n'-[1-(4-fluorophenyl)cyclohexyl]urea
|
|
4 | 223.130 |
| 82-863-3 |
trans-Cinnamamide, N-(2-iodo-4-methylphenyl)-3-trifluoromethyl-
|
|
4 | 241.250 |
| 83-132-3 |
Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-
|
2094-99-7 |
4 | 173.220 |
| 84-973-9 |
2-(2',4',6'-Trichlorophenoxy)-4-methylthio-aceto-phenone
|
|
4 | 235.200 |
| 85-219-5 |
M-dioxane, 2-isopropenyl-4-isopropyl-5,5-dimethyl-
|
116373-70-7 |
4 | 176.520 |
| 85-648-9 |
Ethaneperoxoic acid, 1-cyano-1-(2-methylphenyl)ethyl ester
|
58422-67-6 |
4 | 170.870 |
| 85-910-7 |
5-acetyl-7-methyl-2,3-dihydro-1H-pyrrolizine
|
|
4 | 132.990 |
| 86-298-7 |
DL-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, undecyl ester
|
|
4 | 391.200 |
| 86-445-3 |
DL-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, dodecyl ester
|
|
4 | 405.290 |
| 87-444-3 |
Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-
|
91-82-7 |
4 | 252.200 |
| 88-398-4 |
M-cresol, 4,4'-ethylidene bis(6-(1-methylcyclohexyl))-
|
26292-65-9 |
4 | 376.060 |
| 89-218-2 |
L-Valine, N-(3-chloro-2-fluorobenzoyl)-, isohexyl ester
|
|
4 | 273.720 |
| 89-597-2 |
Succinic acid,2-(o-hydroxyphenyl)-2-phenyl-,gamma-lactone
|
|
4 | 192.800 |
| 90-641-0 |
Carbazol-1(2H)-one, 3,4-dihydro-6-methyl-
|
3449-48-7 |
4 | 155.800 |
| 90-658-2 |
Ethanone, 1-[6-hydroxy-2-(1-methylethenyl)-7-benzofuranyl]-
|
55682-75-2 |
4 | 164.120 |
| 90-946-2 |
2,5-dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone
|
|
4 | 143.160 |
| 91-290-9 |
Ethanone, 1,1'-(6-hydroxy-2,5-benzofurandiyl)bis-
|
53947-86-7 |
4 | 155.900 |
| 91-323-2 |
Benzamide, 2-chloro-n-(cyanomethyl)-n-cyclohexyl-4-nitro-
|
22977-95-3 |
4 | 230.180 |
| 91-475-4 |
Cyclopentanecarboxamide, 2,3-dihydroxy-4-(hydroxymethyl)-2,3-diacetate
|
13190-79-9 |
4 | 187.290 |
| 91-696-9 |
Cyclohexanol, 2-(6-amino-9h-purin-9-yl)-, cis-
|
724-13-0 |
4 | 171.840 |
| 92-781-3 |
3-(5'-methyl-2'-furyl)-2-phenyl-2-propenal
|
|
4 | 168.040 |
| 93-803-7 |
M-dioxane, 2-propenyl-4-isopropyl-5,5-dimethyl-
|
116373-71-8 |
4 | 176.520 |
| 93-873-0 |
2-Dimethylamino-methylene-3-isopropylidene succinic acid, dimethyl ester
|
95533-81-6 |
4 | 196.200 |
| 93-889-3 |
Benzene, 1,2,4-trichloro-5-[(4-chlorophenyl)thio]-
|
|
4 | 197.730 |
| 94-460-7 |
3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone
|
|
4 | 164.680 |
| 94-577-8 |
4-Hydroxy-5,5-dimethyl-4-phenylthiazolidine-2-thione
|
58417-88-2 |
4 | 175.480 |
| 94-732-5 |
M-cresol, 4,4'-butylidene bis(6-(1-methylcyclohexyl))-
|
|
4 | 404.240 |
| 96-635-1 |
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-
|
108-26-9 |
4 | 73.590 |
| 96-730-5 |
Urea, 1-(2-chloroethyl)-3-(2,2,2-trifluoroethyl)-
|
|
4 | 120.390 |
| 96-835-9 |
trans-3,6-dimethyl-1,2-dithian-4-one
|
|
4 | 118.810 |
| 96-851-1 |
Propanoic acid, 3-hydroxy-2[3-(2-chloroethyl)ureido]-
|
|
4 | 142.480 |
| 98-078-8 |
L-Cysteine, N,S-bis(3-cyclopentylpropionyl)-, methyl ester
|
|
4 | 307.850 |
| 98-615-1 |
6H-Purin-6-one, 1,7-dihydro-1-methyl-
|
1125-39-9 |
4 | 102.270 |
| 98-734-9 |
1H-1,2,4-Triazole, 3-chloro-5-methyl-
|
15285-15-1 |
4 | 75.850 |
| 98-792-5 |
2-Hydroxy-1-(1'-pyrrolidinyl)-1-buten-3-one
|
|
4 | 125.840 |
| 99-054-3 |
Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, isohexyl ester
|
|
4 | 348.930 |
| 99-673-6 |
5-(1'-Formyl-2'-hydroxy-3'-naphthoylamino)-2-benzimidazolone
|
55447-62-6 |
4 | 241.250 |
| 112-163-6 |
N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide
|
|
4 | 174.700 |
| 113-292-2 |
Benzamide, n-butyl-2-chloro-n-cyanomethyl-4-nitro-
|
22977-94-2 |
4 | 212.860 |
| 114-025-7 |
6-Methyl-5-hepten-2-one, PFBO # 1
|
|
4 | 214.550 |
| 116-087-7 |
Butanediamide, 2,3-dihydroxy-N,N'-di-2-propenyl-
|
28843-34-7 |
4 | 178.000 |
| 116-504-3 |
2-Methyl-2-p-toluenesulfonylamino-1,3-propanedithiol diacetate
|
|
4 | 272.360 |
| 116-727-6 |
Isonipecotic acid, N-(2-fluoro-3-chlorobenzoyl)-, ethyl ester
|
|
4 | 220.590 |
| 116-963-4 |
Alpha,alpha'-bis(dimethylamino)-4,4'-di-o-cresol
|
10554-73-1 |
4 | 248.660 |
| 117-227-0 |
1-(5',6'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA
|
|
4 | 288.630 |
| 117-961-5 |
Adenine, 9-(3,5-o-isopropylidene-beta-d-xylofuranosyl)-
|
|
4 | 206.770 |
| 119-229-6 |
Phosphoric acid, dimethyl 3-methyl-4-(methylthio)phenyl ester
|
6552-12-1 |
4 | 188.290 |
| 119-600-3 |
5-Phenyl-2,3,4,5-tetrahydrobenzoxepin-5-carboxamide
|
|
4 | 209.430 |
| 121-153-7 |
2-methyl-3-furyl 2-oxo-3-pentyl disulfide
|
|
4 | 172.440 |
|
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