| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 34-609-8 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 7-methyl
|
|
3 | 120.280 |
| 35-412-5 |
1,3,2-Diazaphosphol-4-ene, 2,4-dichloro-1,3-dicyclohexyl-
|
|
3 | 236.140 |
| 35-572-8 |
1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexabromo-2,2,4,4,6,6-hexahydro-
|
13701-85-4 |
3 | 196.320 |
| 35-819-4 |
5-methylaceto-5'-(3-buten-1-ynil)-2,2'-bithienyl
|
|
3 | 204.660 |
| 36-159-6 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, decyl ester
|
|
3 | 344.570 |
| 36-417-9 |
O-Ethyl-O-(1,1-difluoro-2-bromoethyl)-N-(1-methylpropyl)-phosphorothioamidate
|
|
3 | 203.150 |
| 36-920-0 |
2,5,5-Trimethyl-4-propionyl-1,3,4-oxadiazoline
|
|
3 | 135.820 |
| 36-921-9 |
2-Pyrrolidinone, 1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-
|
309-29-5 |
3 | 307.180 |
| 37-178-4 |
1,3-Dimethyl-5-(3-hydroxycyclohexen-1-yl)hexahydropyrimidine-2,4,6-trione
|
|
3 | 184.460 |
| 37-313-3 |
1,5,6-Triazabicyclo[3.1.0]hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-
|
|
3 | 194.420 |
| 37-388-1 |
4-Cyclopropyl-6-methyl-N-acetyl-N-phenylpyrimidin-2-amine
|
|
3 | 209.430 |
| 37-942-5 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, pentadecyl ester
|
|
3 | 428.550 |
| 38-108-0 |
D-Tryptophan, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester
|
|
3 | 324.200 |
| 38-174-7 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,6-dimethyl-7,7-tetramethylene
|
|
3 | 170.460 |
| 38-214-2 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, undecyl ester
|
|
3 | 358.660 |
| 38-659-9 |
O-Ethyl-O-(1,1-difluoro-2-chloroethyl)-N-propyl-phosphorothioamidate
|
|
3 | 183.800 |
| 38-787-7 |
1H,5H,7H,11H-Dipyrazolo[1,2-a:1',2'-d][1,2,4,5]tetrazine, tetrahydro-
|
37882-92-1 |
3 | 130.920 |
| 39-046-8 |
3-(4-Anilino-1-naphthylazo)-2,7-naphthalene disulfonic acid
|
57322-42-6 |
3 | 360.560 |
| 39-307-8 |
15,16-Epoxylabda-13(16),14-dien-8 .alpha.-ol
|
|
3 | 263.220 |
| 39-432-9 |
Isonipecotinoylisonipecotic acid, N'-(2,5-di(trifluoromethyl)benzoyl)-, ethyl ester
|
|
3 | 330.610 |
| 39-983-8 |
4-Quinolinol,4-ethenyl-1-ethyldecahydro-2-methyl-(2«alpha»,4«beta»,4a«alpha»,8a«beta»)
|
38463-58-0 |
3 | 197.950 |
| 40-056-5 |
6H-Pyrido[2,1-b]quinazolin-6-one, 7,8,9,10-tetrahydro- 9-methyl
|
|
3 | 165.780 |
| 40-738-8 |
1,3-Bis(2-phenyl-1,3,4-oxadiazol-5-yl)perfluoropropane
|
5086-79-3 |
3 | 254.410 |
| 40-865-7 |
Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,5,6-trimethyl-7,7-tetramethylene
|
|
3 | 180.250 |
| 41-014-0 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, propyl ester
|
|
3 | 245.940 |
| 41-301-1 |
Isonipecotic acid, N-(2,6-difluoro-3-methylbenzoyl)-, tridecyl ester
|
|
3 | 379.200 |
| 41-340-8 |
1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-
|
|
3 | 207.860 |
| 41-554-1 |
1-Methyl-9-[(1e)-1-propenyl]-1,9-dihydro-6h-purin-6-one
|
|
3 | 140.240 |
| 41-600-9 |
2,3,4,5,7,8,9,10,11,12-Decahydro-1H-5a,13-diaza-cyclohepta[4,5]benzo[1,2]cycloocten-6-one
|
|
3 | 202.560 |
| 42-134-6 |
1,2,3,4,6,7,8,9,10,11-Decahydro-5,11a-diaza-cycloocta[b]naphthalen-12-one
|
|
3 | 188.470 |
| 42-657-6 |
2,6-Pyridinedicarboxylic acid, di(1-methoxydec-4-yl) ester
|
|
3 | 432.310 |
| 42-702-5 |
2,6-Pyridinedicarboxylic acid, di(5-methoxy-3-methylpent-2-yl) ester
|
|
3 | 319.590 |
| 43-109-3 |
2,3-Diazabicyclo[2.2.2]octane,1,2,3,4-tetramethyl-,trans-
|
|
3 | 150.000 |
| 43-250-6 |
5,5'-Bis-benzylmercapto-[2,2'-azo-1,3,4-thiadiazol]
|
|
3 | 299.020 |
| 43-278-6 |
6-methyl-1,2,3,4,5,6-hexahydro-(7H)-cyclopentapyridine-7-one
|
|
3 | 127.500 |
| 43-471-1 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 2,9-dimethyl
|
|
3 | 134.370 |
| 43-815-9 |
4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«alpha»,8a«beta»)-
|
16067-80-4 |
3 | 179.560 |
| 43-820-3 |
4-Quinolinol,1,4-diethyldecahydro-2-methyl-(2«alpha»,4«beta»,4a«alpha»,8a«beta»)
|
38463-61-5 |
3 | 202.250 |
| 43-838-4 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 7-methyl
|
|
3 | 128.880 |
| 43-987-9 |
N-(5-Methylisoxazol-3-yl)-N-(trifluoroacetyl)-2,2,2-trifluoroacetamide
|
|
3 | 143.710 |
| 44-136-2 |
1-(2-Chloro-3-(1-[(cyclohexylamino)carbonyl]-2-oxohydrazino)propyl)-1-[(cyclohexylamino)carbonyl]-2-oxohydrazine
|
33024-51-0 |
3 | 307.070 |
| 44-200-0 |
N2-Cyclopropyl-1,3,5-triazine-2,4,6-triamine N6-acetyl
|
|
3 | 150.410 |
| 44-732-0 |
O-Methyl-O-(1,1-difluoro-2-bromoethyl)-N-allyl-phosphorothioamidate
|
|
3 | 170.670 |
| 44-752-8 |
Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,5,6-trimethyl-7,7-pentamethylene
|
|
3 | 194.340 |
| 44-930-0 |
O-Methyl-O-(1,1-difluoro-2-bromoethyl)-N-isopropyl-phosphorothioamidate
|
|
3 | 174.970 |
| 45-191-0 |
O-Ethyl-O-isobutyl-S-(1,1-difluoro-3-ethylheptyl)-dithiophosphate
|
|
3 | 290.650 |
| 45-429-6 |
5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphorinane 2-sulphide
|
|
3 | 185.650 |
| 45-460-1 |
3-Amino-2,3-dihydrobenzoic acid, N-dimethylaminomethylene-, methyl ester
|
|
3 | 169.490 |
| 45-501-5 |
O-Methyl-O-(1,1-difluoro-2-bromoethyl)-N-metyl-phosphorothioamidate
|
|
3 | 146.790 |
| 46-049-7 |
11H-Pyrido[2,1-b]quinazolin-11-one, 6,7,8,9-tetrahydro
|
|
3 | 151.690 |
| 46-139-7 |
4-Cyclopropyl-6-methyl-N-phenyl-N-trifluoroacetyl-pyrimidin-2-amine
|
|
3 | 214.740 |
| 46-472-7 |
4-Quinolinol, 4-ethenyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«beta»,8a«alpha»)-
|
20431-91-8 |
3 | 183.860 |
| 46-541-0 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,6-dimethyl
|
|
3 | 124.960 |
| 46-580-7 |
5,5-Pentamethylene-2-phenyl-4-acetyl-1,3,4-oxadiazoline
|
|
3 | 199.830 |
| 46-758-0 |
Glutarimide, 3-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, semicarbazone
|
3428-71-5 |
3 | 260.780 |
| 47-116-1 |
Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6,7,7-tetramethyl
|
|
3 | 148.840 |
| 47-270-0 |
N2-Cyclopropyl-1,3,5-triazine-2,4,6-triamine N2,N4,N6-tris(trifluoroacetate)
|
|
3 | 225.840 |
| 47-524-8 |
2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl ester, [1S-[1«alpha»(Z),7a«alpha»]]-
|
723-78-4 |
3 | 187.000 |
| 47-803-8 |
N-(1,2-Dimethylpropyl)-N,N'-bis(pentafluoropropionyl)-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
|
|
3 | 313.720 |
| 48-077-4 |
2-Pyrazoline-5-one, 4,4-dimethyl-3-isopropyl-1-phenyl-
|
92292-40-5 |
3 | 190.730 |
| 48-631-8 |
2H-1,3,4-Thiadiazine, tetrahydro-2,2,4,6-tetramethyl-
|
|
3 | 134.940 |
| 48-702-9 |
O-Methyl-O-(1,1-difluoro-2-chloroethyl)-N-cyclopentyl-phosphorothioamidate
|
|
3 | 187.030 |
| 48-877-6 |
1,2,3,4,6,7,8,9-Octahydro-pyrido[2,1-b]quinazolin-11-one
|
|
3 | 160.290 |
| 48-923-4 |
5-Methyl-2H-pyrazole-3-carboxylic acid, 2-isopropenyl hydrazide
|
|
3 | 141.310 |
| 48-988-3 |
O-Methyl-O-(1,1-difluoro-2-chloroethyl)-N-methyl-phosphorothioamidate
|
|
3 | 141.530 |
| 49-434-6 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 9-methyl
|
|
3 | 128.880 |
| 49-838-8 |
5,5-Pentamethylene-2-phenyl-4-propionyl-1,3,4-oxadiazoline
|
|
3 | 213.920 |
| 49-894-6 |
Isonipecotic acid, N-(2,6-difluoro-3-methylbenzoyl)-, pentyl ester
|
|
3 | 266.480 |
| 50-014-0 |
6-Methyl-3,5-heptadien-2-one, PFBO # 2
|
|
3 | 210.250 |
| 50-303-9 |
1,3-Dimethyl-5-(3-oxocyclohexen-1-yl)hexahydropyrimidine-2,4,6-trione
|
|
3 | 180.160 |
| 50-350-7 |
5-Ethyl-5-methyl-2-(1-methylethyl)-4-isobutanoyl-1,3,4-oxadiazoline
|
|
3 | 192.180 |
| 50-651-3 |
benzaldehyde oxime, 2-hydroxy, 3-chloro, 5-(1,1,3,3-tetramethylbutyl)
|
|
3 | 228.110 |
| 51-118-4 |
3,7-Diazabicyclo[3.3.1]nonane, 3,7-dimethyl-
|
14789-33-4 |
3 | 135.910 |
| 51-266-0 |
1-Methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
|
|
3 | 151.690 |
| 51-638-7 |
Thiazolo[3,2-a]pyridinium, 2,3-dihydro-8-hydroxy-, hydroxide, inner salt
|
23003-45-4 |
3 | 107.070 |
| 51-692-7 |
O-Methyl-O-(1,1-difluoro-2-chloroethyl)-N-pentyl-phosphorothioamidate
|
|
3 | 197.890 |
| 52-092-2 |
2-Ethyl-5,5-dimethyl-5-propionyl-1,3,4-oxadiazoline
|
|
3 | 149.910 |
| 52-132-7 |
Propanoic acid, 3-[N-(2-formyl-5-methyl-1-pyrrolyl)]
|
|
3 | 137.200 |
| 52-159-8 |
1,6-Diazatetracyclo[4.3.27,9.12,5]dodecane
|
105090-34-4 |
3 | 128.280 |
| 52-331-6 |
R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (oxo-HO-toluol-), AC
|
|
3 | 264.510 |
| 52-425-2 |
1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6-pentabromo-6-chloro-2,2,4,4,6,6-hexahydro-
|
|
3 | 191.060 |
| 52-489-2 |
(3,5-BIS-CYANOMETHYL-[1,3,5]TRIAZINAN-1-YL)-ACETONITRILE
|
|
3 | 160.890 |
| 52-553-0 |
Thiazolo[3,2-c]pyrimidin-4-ium, 2,3-dihydro-8-hydroxy-5-methyl-, hydroxide, inner salt
|
|
3 | 117.050 |
| 52-726-8 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-butyl-2,6-dimethyl
|
|
3 | 181.320 |
| 52-806-9 |
R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (oxo-HO-alkyl-), AC
|
|
3 | 264.510 |
| 53-012-9 |
Propanoic acid, 3-[N-(2-formyl-5-(hydroxymethyl)-1-pyrrolyl)]
|
|
3 | 143.070 |
| 53-117-3 |
Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative
|
|
3 | 594.720 |
| 53-148-9 |
2H-Pyrido[3,2,b]-1,4-oxazin-3[4H]-one
|
|
3 | 102.270 |
| 53-784-3 |
1,3,5,2,4,6-Triazatriphosphorine, 2-bromo-2,4,4,6,6-pentachloro-2,2,4,4,6,6-hexahydro-
|
14740-93-3 |
3 | 170.020 |
| 53-911-1 |
5-Methylaceto-5'-(3-buten-1-ynyl)-2,2'-bithienyl
|
|
3 | 210.530 |
| 53-985-0 |
6-Chloro-N-sec-butyl-N'-heptafluorobutryl-1,3,5-triazine-2,4-diamine
|
|
3 | 218.190 |
| 54-026-3 |
2,6-Pyridinedicarboxylic acid, ethyl 1-methoxydec-4-yl ester
|
|
3 | 299.630 |
| 54-458-4 |
1,3,4-Oxadiazol-2(3h)-one, 3-acetyl-5-(5-nitro-2-furyl)-
|
|
3 | 141.220 |
| 54-560-0 |
2,3,5,6,7,8,9,10-Octahydro-1H-cycloocta[d]pyrrolo[1,2-a]pyrimidin-11-one
|
|
3 | 174.380 |
| 54-652-8 |
7H-pyrrolo[2,3-d]pyrimidine, 4-amino-7-[3-(hydroxymethyl)cyclopentyl]-
|
|
3 | 175.950 |
| 54-881-4 |
1,2,3,4,6,7,8,9,10,11-Decahydro-4a,12-diaza-cycloocta[b]naphthalen-5-one
|
|
3 | 188.470 |
| 55-093-8 |
5-Ethyl-5-methyl-4-acetyl-1,3,4-oxadiazoline
|
|
3 | 121.730 |
| 55-233-2 |
4-Quinolinol,1-ethyl-4-ethynyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«alpha»,8a«beta»)
|
38463-54-6 |
3 | 193.650 |
| 55-267-5 |
2,3'-Bipyridine, 1'-acetyl-1',3,4,4',5,5',6,6'-octahydro-
|
|
3 | 171.150 |
| 55-320-5 |
O-Ethyl-O-(1,1-difluoro-2-chloroethyl)-N-butyl-phosphorothioamidate
|
|
3 | 197.890 |
|
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