| ID | Name | CAS | Data |
McVol (ml/mol) |
| 43-425-2 |
Adamantane, 2-(1-piperazinyl)
|
|
4 | 188.750 |
| 44-657-4 |
Hexanal, PFBO # 1
|
|
4 | 190.670 |
| 45-082-1 |
sec-Butyl ethyl sulphoxide
|
|
4 | 117.620 |
| 45-468-3 |
2,6-Dichlorophenyl isothiocyanate
|
|
4 | 127.940 |
| 45-529-5 |
2-Benzamido-5-nitrothiazole
|
|
4 | 163.840 |
| 45-620-3 |
2,3-Dimethoxybenzyl isothiocyanate
|
34964-55-1 |
4 | 157.470 |
| 45-795-0 |
Acetone, isopropylhydrazone, N-acetyl
|
|
4 | 140.810 |
| 45-923-7 |
3,4-Dihydroxyphenyl thiocyanate
|
|
4 | 115.200 |
| 46-142-3 |
3,4-Dimethoxybenzyl isothiocyanate
|
14596-50-0 |
4 | 157.470 |
| 46-451-0 |
1-methyl-5-aminopyrazole
|
1192-21-8 |
4 | 77.700 |
| 46-607-7 |
(1E,5e)-pentanedial dioxime
|
|
4 | 104.410 |
| 46-770-6 |
N-(2-aminoethyl) mercaptoacetamide
|
|
4 | 105.100 |
| 46-805-7 |
2-Pyrrolidinemethanamine, 1-ethyl-
|
|
4 | 118.590 |
| 47-346-6 |
5-(2-Oxopropyl)hygrine
|
|
4 | 168.110 |
| 47-551-8 |
DILTIAZEM, M(ODESMETHYL-), AC
|
|
4 | 329.310 |
| 47-806-5 |
N,N'-Ethylenebis-acrylamide
|
2956-58-3 |
4 | 138.080 |
| 47-858-8 |
Alpha-cyclopropyl-2-thiophenemethanol
|
60942-21-4 |
4 | 115.480 |
| 48-181-8 |
4-Phenyl-4-chromancarboxamide
|
92962-91-9 |
4 | 195.340 |
| 48-240-2 |
2-Amino-N-ethylbenzenesulfonanilide
|
81-10-7 |
4 | 208.650 |
| 48-672-3 |
Thiophene, 2,3-dibromo-
|
3140-93-0 |
4 | 99.110 |
| 49-024-1 |
1,3-Propane diisothiocyanate
|
52714-52-0 |
4 | 116.770 |
| 49-574-1 |
(CH3)2N-CH=N-OCH3
|
139033-03-7 |
4 | 88.750 |
| 49-627-2 |
Rhodanine, 5,5'-ethylidenedi-
|
|
4 | 181.760 |
| 50-400-1 |
5-Bromo-2-thiophenecarboxaldehyde
|
4701-17-1 |
4 | 97.270 |
| 50-668-5 |
2,4-dinitrophenylhydrazone undecanal
|
|
4 | 277.130 |
| 50-994-3 |
p-bromobenzylidene-benzyl-amine
|
|
4 | 183.780 |
| 51-022-0 |
2,4-dinitrophenylhydrazone nonanal
|
|
4 | 248.950 |
| 51-028-4 |
(p-methylbenzylidene)-heptyl-amine
|
|
4 | 204.130 |
| 51-295-8 |
Cyclopentanecarboxamide, cis-3-acetoxymethyl-
|
|
4 | 145.800 |
| 51-481-1 |
3-Phenyl-2-piperazinene
|
5368-28-5 |
4 | 138.670 |
| 51-931-1 |
Glutarimide, N-(2-methoxybenzyl)-
|
|
4 | 178.400 |
| 53-293-8 |
Thioridazine M (nor-), monoacetylated
|
|
4 | 305.830 |
| 53-534-0 |
2-Isopropyl-3-methylthiopyrazine
|
67952-59-4 |
4 | 136.130 |
| 53-662-8 |
Diacetyl, PFBO # 1
|
|
4 | 257.760 |
| 53-845-5 |
Trazodone M(HO), acetylated
|
|
4 | 308.660 |
| 56-331-2 |
Methyl hydrogen s-acetylmercaptosuccinate
|
88942-56-7 |
4 | 142.290 |
| 56-940-6 |
Thiazole, 2,4-diethyl-
|
|
4 | 116.360 |
| 57-090-9 |
5-Chlorovaleric acid, morpholide
|
|
4 | 156.470 |
| 57-115-1 |
Piperidine, 1-(1-methylethyl)-
|
766-79-0 |
4 | 122.700 |
| 57-125-0 |
4-Octanone, O-methyloxime
|
|
4 | 149.220 |
| 57-169-2 |
Phenytoin di-methyl derivative
|
|
4 | 215.110 |
| 57-834-3 |
2-Methylpropionic acid, morpholide
|
|
4 | 130.140 |
| 58-295-1 |
Diphenyl-2,4-uretidinedione
|
1025-36-1 |
4 | 172.840 |
| 58-749-7 |
5-Cyclopropyl-5-methylhydantoin
|
|
4 | 110.870 |
| 59-200-4 |
2-Norbornanamine, n-benzyl-
|
|
4 | 172.620 |
| 59-354-4 |
Dichlorphenamide tetra-methyl derivative
|
|
4 | 228.620 |
| 59-629-9 |
Oxomemazine M (nor-), acetylated
|
|
4 | 269.810 |
| 59-848-6 |
9H-purine, 9-butyl-
|
6943-34-6 |
4 | 138.670 |
| 59-936-8 |
Chloropyramine, N-desalkyl, acetylated
|
|
4 | 194.370 |
| 60-122-9 |
Oxazole, 2,5-diethyl
|
40953-14-8 |
4 | 105.880 |
| 60-206-6 |
2-Pentanone, O-methyloxime
|
|
4 | 106.950 |
| 60-330-8 |
1-Amino-3-nitroguanidine
|
18264-75-0 |
4 | 77.990 |
| 60-493-8 |
Trimipramime M(HO), acetylated
|
|
4 | 289.860 |
| 60-821-3 |
propionyl glycine, PFP-TFE
|
|
4 | 186.480 |
| 60-866-4 |
Acetophenone, PFBO # 2
|
|
4 | 195.090 |
| 61-443-2 |
Dibenzepin M(Nor), acetylated
|
|
4 | 253.270 |
| 61-904-0 |
2,8-P-menthadiene
|
499-99-0 |
4 | 132.300 |
| 62-299-2 |
Acetone, ethyl methyl hydrazone
|
|
4 | 111.060 |
| 62-307-2 |
8,9-Dehydrothymol isobutyrate
|
|
4 | 187.500 |
| 62-421-5 |
3-(Methylthio)phenyl isothiocyanate
|
51333-80-3 |
4 | 133.900 |
| 63-746-4 |
2-ethyl-3-formylthiophene
|
|
4 | 107.950 |
| 63-834-6 |
(CH3)2N-CH=N-CH2CN
|
134166-58-8 |
4 | 98.350 |
| 63-936-3 |
7-Hydroxy-«beta»-isosparteine
|
|
4 | 204.600 |
| 64-656-3 |
2-(2-furyl)thiazole
|
|
4 | 102.770 |
| 64-725-6 |
Sulforidazine M (nor-), monoacetylated
|
|
4 | 317.570 |
| 64-964-1 |
Rhodanine, 5-p-hydroxybenzylidene-
|
|
4 | 158.660 |
| 65-069-4 |
Acetic acid isopropylidene-hydrazide
|
3742-63-0 |
4 | 98.540 |
| 65-178-3 |
(CH3)2N-CH=N-C2H5
|
74119-36-1 |
4 | 96.970 |
| 65-557-2 |
[2,3-d]-Furocycloheptatrienone
|
|
4 | 106.190 |
| 66-630-9 |
(-)-Myltayl-4(12)-ene
|
|
4 | 185.330 |
| 66-763-2 |
1,8-Octane diisothiocyanate
|
56312-14-2 |
4 | 187.220 |
| 67-364-4 |
(p-methylbenzylidene)-hexyl-amine
|
|
4 | 190.040 |
| 67-472-4 |
3«beta»-Merresectine C
|
|
4 | 332.320 |
| 68-206-8 |
Uridine, 5,6-dihydro-
|
5627-05-4 |
4 | 162.530 |
| 68-469-7 |
Acetoin, PFBO # 1
|
|
4 | 168.360 |
| 69-556-9 |
(p-methylbenzylidene)-nonyl-amine
|
|
4 | 232.310 |
| 70-123-7 |
3-Tigloyloxy-6-hydroxytropane
|
|
4 | 191.300 |
| 71-456-7 |
Linalool-3,7-oxide
|
|
4 | 142.470 |
| 72-203-6 |
ACETYL-T-2-TOXIN
|
|
4 | 370.960 |
| 73-264-8 |
2-ethyl-5-vinylfuran
|
|
4 | 105.690 |
| 73-843-5 |
2,2-Diphenylcyclopropylmethyl dimethylamine
|
63968-76-3 |
4 | 216.080 |
| 74-372-7 |
N-phenethyl-2-norbornanamine
|
|
4 | 186.710 |
| 76-068-3 |
2-pentyl-3-formylthiophene
|
|
4 | 150.220 |
| 76-361-7 |
Tris(2-cyclohexylphenyl) phosphate
|
116402-17-6 |
4 | 458.180 |
| 76-526-4 |
3-Tigloyloxy-6-acetoxypropane
|
7688-74-6 |
4 | 191.300 |
| 76-962-0 |
Propenal O-pentafluorophenylmethyl-oxime
|
|
4 | 144.100 |
| 77-163-6 |
Lilac aldehyde isomer A
|
|
4 | 158.130 |
| 77-324-7 |
6-Methoxy-2-tetralone
|
|
4 | 138.670 |
| 77-921-4 |
1-Oxoprop-2-enyl
|
72241-20-4 |
4 | 48.250 |
| 80-122-7 |
Mesoporphyrin ix dimethyl ester
|
1263-63-4 |
4 | 471.300 |
| 80-399-1 |
2-Diphenyl-carbinol-benzofuran
|
82158-27-8 |
4 | 232.050 |
| 80-842-8 |
9H-adenine, 2-fluoro-
|
|
4 | 94.060 |
| 80-852-7 |
Ethanal, isopropylhydrazone, anty (#1)
|
|
4 | 96.970 |
| 80-952-6 |
3-Pentanone, O-methyloxime
|
15754-22-0 |
4 | 106.950 |
| 81-040-7 |
3-methyl-2-thiophenemethanethiol
|
|
4 | 108.640 |
| 81-190-1 |
1,2,2-trifluoroethyl
|
|
4 | 42.200 |
| 81-364-8 |
2-ethenyl-3-ethylpyrazine
|
|
4 | 115.480 |
| 81-367-5 |
2-acetyl-1-ethylpyrrole
|
|
4 | 115.670 |
| 82-195-5 |
m-Chlorobenzylidene-2-methylphenylacetonitrile
|
|
4 | 198.100 |
| 83-413-1 |
2-methyl-3-tetrahydrofurylthiol
|
|
4 | 92.670 |
|
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