| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 101-345-6 |
7-hydroxy-6,7-dihydro-5H-thieno[4,5-b]thiopyran-2-sulfonamide
|
|
4 | 155.810 |
| 101-346-5 |
7-oxo-5,6-dihydrothieno[4,5-b]thiopyran-2-sulfonamide
|
|
4 | 151.510 |
| 101-348-3 |
7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide
|
|
4 | 161.680 |
| 101-349-2 |
4,4,7-trioxo-5,6-dihydrothieno[4,5-b]thiopyran-2-sulfonamide
|
|
4 | 163.250 |
| 101-350-0 |
7-hydroxy-4,4-dioxo-6,7-dihydro-5H-thieno[4,5-b]thiopyran-2-sulfonamide
|
|
4 | 167.550 |
| 101-446-4 |
2-[5-methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid
|
|
4 | 264.630 |
| 102-396-9 |
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
|
|
4 | 150.600 |
| 102-700-0 |
6-hydroxy-4,4-dioxo-6,7-dihydro-5H-thieno[4,5-b]thiopyran-2-sulfonamide
|
|
4 | 167.550 |
| 105-147-2 |
N-(2-(((2-((dimethylamino)methyl)thiazol-4-yl)methyl)thio)ethyl)-N'-methyl-2-nitroethene-1,1-diamine
|
|
4 | 246.220 |
| 105-982-5 |
4-hydroxy-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide
|
|
4 | 155.810 |
| 105-983-4 |
4-oxo-5,6-dihydrothieno[5,4-b]thiopyran-2-sulfonamide
|
|
4 | 151.510 |
| 105-985-2 |
4,7,7-trioxo-5,6-dihydrothieno[5,4-b]thiopyran-2-sulfonamide
|
|
4 | 163.250 |
| 106-224-5 |
ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
|
66441-23-4 |
4 | 249.070 |
| 108-236-0 |
(5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate
|
|
4 | 169.680 |
| 108-388-2 |
4-amino-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
|
|
4 | 152.370 |
| 109-006-4 |
5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
|
|
4 | 187.120 |
| 110-372-6 |
8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
|
|
4 | 217.250 |
| 111-365-3 |
1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
|
|
4 | 234.290 |
| 111-443-6 |
5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
|
|
4 | 184.580 |
| 111-573-2 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
|
|
4 | 184.580 |
| 111-716-3 |
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-
|
1025-15-6 |
4 | 190.830 |
| 112-131-1 |
4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide
|
|
4 | 167.550 |
| 112-569-6 |
Indol-4(5H)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)-
|
7416-34-4 |
4 | 222.520 |
| 113-657-7 |
Androstane-17beta-carboxylic acid,5alpha,6beta-dichloro-3-hydroxy-, acetate
|
116405-12-0 |
4 | 316.760 |
| 114-026-6 |
Carbamothioic acid,phenyl-0-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)ester,endo-
|
67139-54-2 |
4 | 214.610 |
| 115-053-5 |
Benzothiopyran, 4h-1-, 4-(3-(2-chloroethyl )ureido)-2,3-dl-hydro-
|
27047-62-7 |
4 | 195.440 |
| 116-025-5 |
Urea, 1,1'-(1,4-cyclohexylene)bis[3-(2-chloroethyl)]-, trans
|
|
4 | 236.620 |
| 116-099-4 |
4,6-Ethano-1h,8h-pyrano[3,4-c]pyran-1,8-dione, hexahydro-3,3,6-trimethyl-8a-[2-(dimethylamino)ethyl]-
|
|
4 | 242.670 |
| 116-159-7 |
3H-1,4-benzodiazepine-2,5-dione,4-(p-chlorophenyl)-1,2,4,5-tetrahydro-1-methyl-
|
1036-16-4 |
4 | 213.260 |
| 116-230-7 |
6-Methyl-5-hepten-2-one oxime, O-[(pentafluorophenyl)methyl]-
|
|
4 | 214.550 |
| 116-236-1 |
1H-Pyrazolo[4,3-d]pyrimidine, 7-amino-3-«beta»-D-ribofuranosyl-
|
6742-12-7 |
4 | 175.360 |
| 116-338-8 |
Quinazolinone, 4(3h)-, 3-(3-chloro-o-tolyl)-2-methyl-
|
1915-77-1 |
4 | 207.390 |
| 116-507-0 |
3H-1,4-benzodiazepine-2,5-dione, 7-chloro-1,2,4,5-tetrahydro-1,4-dimethyl-
|
|
4 | 166.570 |
| 116-776-2 |
Aniline, o-[5-chloro-(2,2,3,3,4,4-hexafluoro-cyclopenten-1-yl)thio]-
|
|
4 | 176.120 |
| 116-972-4 |
(E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, .omega.-PFB-oxime
|
|
4 | 294.010 |
| 117-367-5 |
1,1'-(1,2-Cyclohexylene)bis[3-(2-chloroethyl)urea], trans
|
13908-62-8 |
4 | 236.620 |
| 117-886-9 |
Phosphorothioic acid, O,O-dimethyl O-[3-methyl-4-(methylsulfonyl)phenyl] ester
|
3761-42-0 |
4 | 210.510 |
| 118-183-8 |
2-Amino-3-benzyl-5-(4-methoxyphenyl)pyrazine-1-oxide
|
|
4 | 234.880 |
| 118-414-1 |
2-[2-Hydroxy-3-(N-methyl-2-pyrrolidinyl)propanyl]-N-methylpyrrolidine (isomer 2)
|
|
4 | 198.140 |
| 118-549-2 |
Benzoic acid, 4-[3-(2-chloroethyl)ureido]-3,5-dimethyl-
|
116465-96-4 |
4 | 197.390 |
| 118-578-0 |
Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-
|
|
4 | 238.300 |
| 118-785-0 |
N-acetyl-n-(p-aminobenzene-sulfonyl)-2-amino-4,6-dimethylpyrimidine
|
|
4 | 230.180 |
| 120-167-3 |
Carbamothioic acid,phenyl-o-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)ester,exo-
|
67139-55-3 |
4 | 214.610 |
| 120-283-4 |
3-[4-(4-Aminobenzyl)anilino]-2-benzofuran-1(3h)-one
|
|
4 | 252.010 |
| 120-469-8 |
3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-diethyl-3-oxopropan-1-amine
|
|
4 | 270.310 |
| 121-557-9 |
Urea, 1-(2-chloroethyl)-3-(5,6,7,8-tetrahydro-2-naphthyl)-
|
|
4 | 193.180 |
| 121-628-0 |
3-Amino-3-(4-methylphenyl)propionic acid, N-dimethylaminomethylene-, methyl ester
|
|
4 | 207.460 |
| 121-822-4 |
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-
|
|
4 | 108.140 |
| 123-444-2 |
Spiro[benzofuran-3(2h),4'-piperidine]-2-one, 5-methyl-,
|
|
4 | 165.970 |
| 123-652-1 |
3H-1,4-benzodiazepine-2,5-dione, 8-chloro-1,2,4,5-tetrahydro-1,4-dimethyl-
|
1018-73-1 |
4 | 166.570 |
| 123-705-2 |
Benzamide, 2-chloro-n-cyanomethyl-n-(2-ethoxyethyl)-4-nitro-
|
|
4 | 218.730 |
| 124-131-8 |
2-[2-Hydroxy-3-(N-methyl-2-pyrrolidinyl)propanyl]-N-methylpyrrolidine (isomer 1)
|
|
4 | 198.140 |
| 124-748-4 |
1,2,3,4-TETRAHYDROISOQUINOLINE, 6,7,8-TRIMETHOXY-1-METHYL-
|
|
4 | 187.000 |
| 124-812-2 |
Ketone, 5-amino-4-nitro-2-thienyl-3,4-dichlorophenyl
|
|
4 | 192.430 |
| 10-372-7 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5-dimethyl-7,7-pentamethylene
|
|
3 | 184.550 |
| 10-589-7 |
N-tert-Butyl-N,N'-bis(trifluoroacetyl)-6-methoxy-1,3,5-triazine-2,4-diamine
|
|
3 | 225.710 |
| 10-598-7 |
Pyridine, 1,1'-(1,2-phenylenedicarbonyl)bis[1,2,3,4-tetrahydro-
|
52881-76-2 |
3 | 233.500 |
| 10-755-2 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,6-trimethyl-7,7-pentamethylene
|
|
3 | 198.640 |
| 10-832-6 |
7-(1H-Pyrrol-2-yloxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
|
|
3 | 166.160 |
| 10-846-1 |
N-tert-Butyl-N'-acetyl-6-methoxy-1,3,5-triazine-2,4-diamine
|
|
3 | 185.340 |
| 10-948-8 |
Thiazolo[3,2-a]pyridinium, 8-hydroxy-5-methyl-, hydroxide, inner salt
|
30277-17-9 |
3 | 116.860 |
| 10-989-3 |
Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative
|
|
3 | 454.280 |
| 11-006-2 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, octyl ester
|
|
3 | 329.920 |
| 11-152-0 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-propyl-2,6-dimethyl
|
|
3 | 167.230 |
| 11-229-5 |
2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl 2-methylhex-3-yl ester
|
|
3 | 296.330 |
| 11-390-6 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-methyl-
|
1693-94-3 |
3 | 120.280 |
| 11-520-1 |
Semicarbazide, 4-methyl-1-(5-nitro-2-furoyl)-3-thio-,
|
|
3 | 156.880 |
| 11-772-2 |
2-Ethyl-5,5-dimethyl-4-acety;-1,3,4-oxadiazoline
|
|
3 | 135.820 |
| 11-858-7 |
1H-Pyrrol-1-yloxy, 3-(aminocarbonyl)-2,5-dihydro-2,2,5,5-tetramethyl-
|
3229-73-0 |
3 | 147.760 |
| 12-142-0 |
Piperazine, 2-keto-1-(3-trifluoromethylphenyl), 4-acetyl, acetoxy-M
|
|
3 | 223.440 |
| 12-246-5 |
5-Ethyl-2,5-dimethyl-4-propionyl-1,3,4-oxadiazoline
|
|
3 | 149.910 |
| 12-553-4 |
1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-hydroxy-, (1S-cis)-
|
520-63-8 |
3 | 119.280 |
| 12-567-9 |
trans-1-Methyl-2-tert-butyl-3-(tert-butylimino)diaziridine
|
23044-57-7 |
3 | 166.540 |
| 12-883-8 |
L-Proline, N-trifluoroacetyl-, 2,2,3,3,3-pentafluoropropyl ester
|
|
3 | 174.050 |
| 12-903-5 |
N-(4-Methoxy-1,3-benzothiazol-2-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
|
|
3 | 197.160 |
| 13-043-9 |
5'-S-Methyl-5'-thioadenosine, N,O,O'-tris(trifluoroacetyl)-
|
|
3 | 305.110 |
| 13-084-4 |
[1R-(1«alpha»,7a«beta»)]-[1-((Z)-2-Methyl-1-oxobut-2-enyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl ester of (Z)-2-hydroxymethylbut-2-enoic acid
|
87340-27-0 |
3 | 260.590 |
| 13-391-3 |
2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, (S)-
|
3804-70-4 |
3 | 177.520 |
| 13-413-8 |
3,5-Dihydro-4-(methylimino)-4H-pyrazole, 3,3,5,5-tetramethyl-
|
72443-11-9 |
3 | 134.060 |
| 13-534-4 |
N-(5,6-Dichloro-1,3-benzothiazol-2-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
|
|
3 | 201.680 |
| 13-713-5 |
2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl neopentyl ester
|
|
3 | 279.670 |
| 13-921-4 |
1,3-Hexadiene, adduct with 4-methyl-1,2,4-triazolin-3,5-dione
|
|
3 | 144.730 |
| 14-128-4 |
Pyridine, 1,1'-(1,4-phenylenedicarbonyl)bis[1,2,3,4-tetrahydro-
|
|
3 | 233.500 |
| 14-839-5 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,6-trimethyl-7,7-tetramethylene
|
|
3 | 184.550 |
| 14-907-9 |
2-Amino-4,6-dihydroxypyrimidine, N,O,O'-tris(heptafluorobutyryl)-
|
|
3 | 296.100 |
| 14-988-0 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, ethyl ester
|
|
3 | 245.380 |
| 15-054-5 |
[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-methyl-
|
2503-56-2 |
3 | 102.270 |
| 15-320-9 |
1H-Pyrrolizine-1-methanol, hexahydro-7-hydroxy-, [1S-(1«alpha»,7«alpha»,7a«beta»)]-
|
520-62-7 |
3 | 123.580 |
| 15-373-1 |
1H-Naphtho[2,1-b]pyran-1-one, 3-phenyl-
|
6051-87-2 |
3 | 203.870 |
| 15-609-9 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, hexyl ester
|
|
3 | 288.210 |
| 15-806-0 |
5-Methyl-2H-pyrazole-3-carboxylic acid, 1-methyl-2-isopropenyl hydrazide
|
|
3 | 155.400 |
| 16-093-1 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, propyl ester
|
|
3 | 259.470 |
| 16-398-3 |
1H-pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-
|
|
3 | 157.560 |
| 16-407-2 |
Benzofuran-2,3-dione, 2-[O-(2-acetoxyethyl)oxime], 3-(O-methyloxime), isomer 2
|
|
3 | 195.820 |
| 16-587-3 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 5,6-trimethyleno, 6-methyl
|
|
3 | 151.690 |
| 17-121-8 |
6,7,8,9,10,11-Hexahydro-4a,12-diaza-cycloocta[b]naphthalen-5-one
|
|
3 | 179.870 |
| 17-174-0 |
4-Quinolinol, 4-ethenyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«alpha»,8a«beta»)-
|
20431-93-0 |
3 | 183.860 |
| 17-211-8 |
Spirocyclopentane-2-(1,5,6-triazabicyclo[3.1.0]hexane), 4,4,6-tris(trifluoromethyl)-
|
|
3 | 165.050 |
| 17-274-9 |
6H-Pyrazolo[1,2-a][1,2,4,5]tetrazine, hexahydro-2,3-dimethyl-
|
70517-50-9 |
3 | 127.690 |
| 17-301-8 |
2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2,4,4-trimethylpentyl ester
|
|
3 | 321.940 |
|
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