| ID | Name | CAS | Data |
McVol (ml/mol) |
| 94-855-9 |
Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, tetradecyl ester
|
|
3 | 396.690 |
| 94-954-9 |
Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, tridecyl ester
|
|
3 | 386.900 |
| 95-651-4 |
Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, undecyl ester
|
|
3 | 358.720 |
| 95-689-3 |
Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, undecyl ester
|
|
3 | 354.420 |
| 95-692-9 |
1-Aminocyclopentanecarboxylic acid, N-(but-2-yn-1-yloxycarbonyl)-, tridecyl ester
|
|
3 | 354.420 |
| 96-095-1 |
Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, nonyl ester
|
|
3 | 326.240 |
| 96-098-8 |
1-Aminocyclopentanecarboxylic acid, N-(but-2-yn-1-yloxycarbonyl)-, undecyl ester
|
|
3 | 326.240 |
| 96-099-7 |
Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, nonyl ester
|
|
3 | 326.240 |
| 96-249-0 |
2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester)
|
|
3 | 266.480 |
| 96-313-8 |
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-N,N,2,4-tetramethyl-, 1,1-dioxide
|
55670-20-7 |
3 | 229.590 |
| 96-375-0 |
(R)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
|
475-83-2 |
3 | 231.050 |
| 96-377-8 |
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-
|
465-65-6 |
3 | 236.230 |
| 96-378-7 |
6H-Dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (.+/-.)-
|
6451-72-5 |
3 | 242.790 |
| 96-381-3 |
Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-1'-methyl-, (R)-
|
2128-60-1 |
3 | 236.920 |
| 96-520-8 |
Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, heptyl ester
|
|
3 | 298.060 |
| 96-521-7 |
1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, nonyl ester
|
|
3 | 298.060 |
| 96-615-3 |
Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, pentadecyl ester
|
|
3 | 415.080 |
| 96-840-3 |
Butyramide, n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-
|
|
3 | 161.870 |
| 97-073-4 |
Furo[2,3,4-gh]pyrrolizin-2(2aH)-one, hexahydro-, (2a«alpha»,7a«alpha»,7b«alpha»)-
|
25471-69-6 |
3 | 108.420 |
| 97-084-2 |
Imidazo[4,5-d]imidazole-2,5-(1H,3H)dione, tetrahydro-1,3,4,6-tetramethyl-
|
10095-06-4 |
3 | 144.920 |
| 97-103-0 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-ethyl-2,6-dimethyl
|
|
3 | 153.140 |
| 97-142-7 |
N-(5,6-Dichloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
|
|
3 | 166.420 |
| 97-313-7 |
Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, decyl ester
|
|
3 | 340.330 |
| 97-314-6 |
1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, dodecyl ester
|
|
3 | 340.330 |
| 97-359-7 |
Benzene, 2,4-diisocyanato-1-methyl- and benzene, 2,6-diisocyanato-1-methyl-
|
|
3 | 256.820 |
| 97-628-8 |
Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, pentyl ester
|
|
3 | 269.880 |
| 97-669-3 |
Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, isohexyl ester
|
|
3 | 288.270 |
| 97-687-3 |
Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, hexyl ester
|
|
3 | 283.970 |
| 97-688-2 |
Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, hexyl ester
|
|
3 | 283.970 |
| 97-689-1 |
1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, octyl ester
|
|
3 | 283.970 |
| 97-807-9 |
2-Aminopent-4-enoic acid, N-(2-benzyloxyetoxycarbonyl)-, isobutyl ester
|
|
3 | 281.240 |
| 97-829-5 |
2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene
|
|
3 | 230.860 |
| 98-080-5 |
1-Aminocyclopentanecarboxylic acid, N-(but-2-yn-1-yloxycarbonyl)-, nonyl ester
|
|
3 | 298.060 |
| 98-184-0 |
Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, pentadecyl ester
|
|
3 | 410.780 |
| 98-277-7 |
Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2
|
|
3 | 361.000 |
| 98-278-6 |
Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1
|
|
3 | 361.000 |
| 98-279-5 |
Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2
|
|
3 | 361.000 |
| 98-280-3 |
Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2
|
|
3 | 361.000 |
| 98-281-2 |
Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1
|
|
3 | 361.000 |
| 98-282-1 |
Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1
|
|
3 | 361.000 |
| 98-340-6 |
5-Amino-7-oxo-1,2,3,4,6-pentazaindene
|
|
3 | 89.750 |
| 98-534-1 |
2,4-dihydro-2,4,5-trimethyl-3H-pyrazol-3-one
|
|
3 | 101.770 |
| 98-716-9 |
Phosphorothiolo thionate, o,o-diethyl-s-(1-ethoxy-2-methylpropyl)-
|
|
3 | 236.620 |
| 98-793-4 |
Methyl 1-methyl-1,2,3,6-tetrahydropyridine-3-carboxylate
|
86447-15-6 |
3 | 125.840 |
| 98-820-3 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,6,7,7-tetramethyl
|
|
3 | 153.140 |
| 98-821-2 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,7,7-tetramethyl
|
|
3 | 153.140 |
| 98-831-1 |
Chlorocarbene artifact of 7«alpha»-Hydroxy-1-methoxymethyl-8«alpha»-pyrrolizidine
|
|
3 | 133.180 |
| 98-832-0 |
Chlorocarbene aftifact of 7«beta»-Hydroxy-1-methylene-8«alpha»/«beta»-pyrrolizidine
|
|
3 | 133.180 |
| 99-079-6 |
Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, decyl ester
|
|
3 | 344.630 |
| 99-208-2 |
1-Aminocyclopentanecarboxylic acid, N-(but-2-yn-1-yloxycarbonyl)-, dodecyl ester
|
|
3 | 340.330 |
| 99-212-7 |
Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, decyl ester
|
|
3 | 340.330 |
| 99-261-3 |
(R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
|
3153-55-7 |
3 | 216.960 |
| 99-445-9 |
(1aR,1a1S,9bS,10S,11R,11aS)-7,8,11-Trimethoxy-1a1,2,3,5,9b,10,11,11a-octahydrooxireno[2,3-c]pyrrolo[3,2,1-de]phenanthridin-10-ol
|
145237-00-9 |
3 | 236.610 |
| 99-450-3 |
Galanthan-1-ol, 3,12-didehydro-2,9,10-trimethoxy-, (1«alpha»,2«beta»)-
|
517-78-2 |
3 | 237.300 |
| 99-474-7 |
(1R,3a1S,11bS)-9-Hydroxy-10-methoxy-2,3a1,4,5,7,11b-hexahydro-1H-pyrrolo[3,2,1-de]phenanthridin-1-yl acetate
|
265992-98-1 |
3 | 233.000 |
| 99-589-0 |
Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, isohexyl ester
|
|
3 | 283.970 |
| 99-679-0 |
Furo[2,3-c]acridin-6(2H)-one, 1,11-dihydro-5-hydroxy-11-methyl-2-(1-methylethenyl)-, (-)-
|
17948-33-3 |
3 | 228.320 |
| 99-736-6 |
(S)-1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methylisoquinolin-7-ol
|
485-19-8 |
3 | 253.650 |
| 99-875-2 |
R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (HO-toluol-), AC
|
|
3 | 262.940 |
| 99-930-0 |
6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
|
|
3 | 247.690 |
| 100-283-6 |
5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
|
|
3 | 128.300 |
| 100-933-4 |
7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
|
|
3 | 304.270 |
| 100-934-3 |
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
|
|
3 | 282.650 |
| 101-819-0 |
2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid
|
|
3 | 150.630 |
| 102-258-2 |
1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
|
|
3 | 250.060 |
| 102-821-6 |
N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide
|
|
3 | 257.400 |
| 104-133-8 |
7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
|
|
3 | 247.690 |
| 105-690-9 |
1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
|
|
3 | 133.280 |
| 106-247-0 |
5-fluoro-1-[(4-methylphenyl)methyl]pyrimidine-2,4-dione
|
|
3 | 165.890 |
| 108-484-5 |
3-hydroxy-2-methyl-1-(4-methylphenyl)pyridin-4-one
|
|
3 | 168.230 |
| 108-577-2 |
1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]pyrrolidin-2-one
|
|
3 | 289.200 |
| 109-054-1 |
2-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
|
|
3 | 180.660 |
| 109-237-8 |
5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
|
|
3 | 171.760 |
| 109-314-2 |
1,3-dimethyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
|
|
3 | 230.770 |
| 109-670-7 |
3,3-dimethyl-7-oxo-6-[[2-(phenoxy)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
|
|
3 | 243.580 |
| 110-504-9 |
4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
|
|
3 | 257.960 |
| 111-365-3 |
1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
|
|
3 | 234.290 |
| 111-716-3 |
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-
|
1025-15-6 |
3 | 190.830 |
| 112-221-1 |
1,3,8-trimethyl-7-(2-methylpropyl)purine-2,6-dione
|
|
3 | 192.680 |
| 112-278-9 |
3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
|
|
3 | 237.710 |
| 112-569-6 |
Indol-4(5H)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)-
|
7416-34-4 |
3 | 222.520 |
| 112-654-1 |
11H-Pyrido[2,1-b]quinazolin-11-one, 1,2,3,4,6,7,8,9-octahydro, 7-methyl
|
|
3 | 174.380 |
| 112-687-5 |
L-Proline, N-(2,6-difluoro-3-methylbenzoyl)-, decyl ester
|
|
3 | 322.840 |
| 112-755-9 |
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-amino-5,6-dihydro-, ethyl ester
|
4815-29-6 |
3 | 155.210 |
| 112-843-1 |
O-Methyl-O-(1,1-difluoro-2-bromoethyl)-N-(1-methylpropyl)-phosphorothioamidate
|
|
3 | 189.060 |
| 113-060-9 |
O-Ethyl-O-(1,1-difluoro-2-chloroethyl)-N-ethyl-phosphorothioamidate
|
|
3 | 169.710 |
| 113-064-5 |
11H-Pyrido[2,1-b]quinazolin-11-one, 6,7,8,9-tetrahydro, 8-methyl
|
|
3 | 165.780 |
| 113-240-9 |
L-Proline, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester
|
|
3 | 208.030 |
| 113-250-8 |
5-(4-Oxopentanoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine
|
|
3 | 176.830 |
| 113-394-9 |
PYRROLO[1,2-A]PYRAZINE-1,4-DIONE, HEXAHYDRO-3-(PHENYLMETHYL)-
|
|
3 | 185.740 |
| 113-501-9 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, hexyl ester
|
|
3 | 301.740 |
| 113-526-2 |
11H-Pyrido[2,1-b]quinazolin-11-one, 6,7,8,9-tetrahydro, 6-methyl
|
|
3 | 165.780 |
| 113-995-2 |
O-Methyl-O-(1,1-difluoro-2-bromoethyl)-N-propyl-phosphorothioamidate
|
|
3 | 174.970 |
| 114-057-2 |
7,8,9,10-Tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
|
|
3 | 165.780 |
| 114-194-0 |
2,2,2-Trifluoro-N-(6-Methoxy-1,3-benzothiazol-2-yl)acetamide
|
|
3 | 161.900 |
| 114-211-0 |
Cyclopentane-1,2-dione, 3,3,5,5-tetramethyl, bis(o-methyloxime)-(E,E)-
|
140210-44-2 |
3 | 178.090 |
| 114-295-8 |
L-Proline, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, undecyl ester
|
|
3 | 344.570 |
| 114-306-5 |
Pyridine, 1-acetyl-5-(1-formyl-2-piperidinyl)-1,2,3,4-tetrahydro-
|
54966-16-4 |
3 | 191.110 |
| 114-345-2 |
Benzo[g]pyrido[2,3d]pyrimidin-2,4-dione,3,7,8,10-tetramethyl-
|
70239-57-5 |
3 | 201.210 |
| 114-419-0 |
L-Proline, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, pentyl ester
|
|
3 | 260.030 |
|
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