| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 55-372-8 |
4-Quinolinol,1,4-diethyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«beta»,8a«alpha»)
|
38463-62-6 |
3 | 202.250 |
| 55-599-7 |
2(1H)-Pyridinone, 3-acetyl-4-hydroxy-1,6-dimethyl-
|
7202-55-3 |
3 | 137.200 |
| 56-086-5 |
2,3-Dihydro-1H-4,8a-diaza-cyclopenta[b]naphthalen-9-one
|
|
3 | 137.600 |
| 56-323-1 |
N-(1,2-Dimethylpropyl)-N,N'-bis(trifluoroacetyl)-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
|
|
3 | 278.460 |
| 56-452-8 |
R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M, (HO-alkyl-) isomer-1, AC
|
|
3 | 262.940 |
| 57-084-6 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, heptyl ester
|
|
3 | 302.300 |
| 57-606-6 |
4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«beta»,8a«alpha»)-
|
20422-68-8 |
3 | 188.160 |
| 57-651-6 |
Azobenzene, 2-chloro-4-nitro-4'-[2-(hydroxyethyl)(ethyl)amino]-
|
|
3 | 249.950 |
| 57-805-5 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 6-methyl
|
|
3 | 120.280 |
| 57-831-6 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, nonyl ester
|
|
3 | 344.010 |
| 57-900-9 |
4-(tert-Butylamino)-6-ethyl-6-trifluoroacetylamino-5H-1,3,5-triazin-2-one
|
|
3 | 204.740 |
| 57-930-6 |
O-Methyl-O-(1,1-difluoro-2-chloroethyl)-N-cyclopropyl-phosphorothioamidate
|
|
3 | 158.850 |
| 58-215-9 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, nonyl ester
|
|
3 | 330.480 |
| 58-249-2 |
4H-Cyclopenteno[2,3-e]pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 7-methyl
|
|
3 | 151.690 |
| 58-457-1 |
O-Methyl-O-(1,1-difluoro-2-chloroethyl)-N-propyl-phosphorothioamidate
|
|
3 | 169.710 |
| 58-624-5 |
2,6-Pyridinedicarboxylic acid, di(2,4,4-trimethylpentyl) ester
|
|
3 | 336.030 |
| 58-638-0 |
2,5-Diethyl-5-methyl-4-acetyl-1,3,4-oxadiazoline
|
|
3 | 149.910 |
| 58-886-5 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 8-methyl
|
|
3 | 128.880 |
| 59-007-9 |
4H-Cyclopenteno[2,3-e]pyrido[1,2-a]pyrimidin-4-one, 9-methyl
|
|
3 | 151.690 |
| 59-126-7 |
1,3,2-Diazaphosphol-4-ene, 2-(diethylamino)-1,3-dibutyl-4,5-dimethyl-
|
141968-98-1 |
3 | 271.540 |
| 59-804-4 |
benzaldehyde oxime, 2-hydroxy, 3-nitro, 5-(1,1,3,3-tetramethylbutyl)
|
|
3 | 233.290 |
| 59-894-5 |
2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 4-octyl ester
|
|
3 | 321.940 |
| 59-897-2 |
5,5-Diethyl-2-(1-methylethyl)-4-isobutanoyl-1,3,4-oxadiazoline
|
|
3 | 206.270 |
| 60-181-4 |
1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-
|
112281-77-3 |
3 | 218.180 |
| 60-377-7 |
4-Quinolinol,4-ethenyl-1-ethyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«beta»,8a«alpha»
|
38463-59-1 |
3 | 197.950 |
| 60-519-9 |
1H-Imidazole, 1-(2,2,3,3,3-pentafluoro-1-oxopropyl)-
|
71735-32-5 |
3 | 106.320 |
| 60-576-6 |
L-Tryptophan, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester
|
|
3 | 324.200 |
| 60-608-0 |
2-Octalen-1-one, 3,4a,8,8-tetramethyl, 4-(2-(3-furyl)ethyl))
|
|
3 | 254.620 |
| 60-814-1 |
[(1R,8R)-7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (E)-4-hydroxy-3-methyl-but-2-enoate
|
|
3 | 206.960 |
| 60-877-2 |
5-Ethyl-2,5-dimethyl-4-acetyl-1,3,4-oxadiazoline
|
|
3 | 135.820 |
| 60-925-8 |
2,6-Pyridinedicarboxylic acid, 5-methoxy-3-methylpent-2-yl propyl ester
|
|
3 | 257.360 |
| 60-927-6 |
Pyrrolidino[1,2-e]-4H-1,3,5-dithiazine, 4-methyl-2-(2-methylpropyl)
|
|
3 | 186.810 |
| 60-952-8 |
1-[3,4-methylenedioxy-benzyl]piperazine -M, (desmethylen-methyl-), 2AC
|
|
3 | 236.520 |
| 61-249-8 |
5H-Dibenz[c,e]azepine, 6,7-dihydro-6-(2-propenyl)-
|
146-36-1 |
3 | 197.690 |
| 61-408-1 |
Isonipecotic acid, N-(2,6-difluoro-3-methylbenzoyl)-, propyl ester
|
|
3 | 238.300 |
| 61-685-4 |
3,9-Diazaoctacyclo[9.3.22,10.0.03,9.04,8.05,15.07,16]tetradecane
|
|
3 | 152.060 |
| 61-842-9 |
5-Ethyl-5-methyl-4-propionyl-1,3,4-oxadiazoline
|
|
3 | 135.820 |
| 62-379-3 |
N-tert-Butyl-N-trifluoroacetyl-N'-trifluoroacetyl-N'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
|
|
3 | 267.600 |
| 62-390-0 |
7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-
|
13849-08-6 |
3 | 177.520 |
| 62-445-9 |
O-(2-Chloroethyl)-O-(1,1-difluoro-2-chloroethyl)-phosphorothiochloridate
|
|
3 | 156.030 |
| 62-451-2 |
6,7,8,9,10,11-Hexahydro-5,11a-diaza -cycloocta[b]naphthalen-12-one
|
|
3 | 179.870 |
| 62-526-9 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 2-methyl
|
|
3 | 128.880 |
| 62-903-0 |
1,5,6-Triazabicyclo[3.1.0]hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-
|
95388-86-6 |
3 | 147.730 |
| 62-967-0 |
2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
|
|
3 | 137.600 |
| 62-983-2 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, tridecyl ester
|
|
3 | 386.840 |
| 63-058-8 |
4-Quinolinol,1,4-diethyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«alpha»,8a«beta»
|
38463-60-4 |
3 | 202.250 |
| 63-239-7 |
4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«beta»,8a«alpha»)-
|
16067-45-1 |
3 | 179.560 |
| 63-461-0 |
Benzofuran-2,3-dione, 2-[O-(2-acetoxyethyl)oxime], 3-(O-methyloxime), isomer 1
|
|
3 | 195.820 |
| 63-474-6 |
Hexahydro-3,3,5-trimethyl-2-p-tolyl-1,4,2-diazaphosphorine-2-oxide
|
|
3 | 205.700 |
| 63-550-1 |
[7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 1H-pyrrole-3-carboxylate
|
|
3 | 195.910 |
| 63-753-6 |
1,3-Propanediol, 2,2-dimethyl-, cyclic 2,2-dichloro-vinyl phosphonate
|
116402-11-0 |
3 | 162.750 |
| 64-017-2 |
10-Methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
|
|
3 | 179.870 |
| 64-074-9 |
2-Pyridinecarbamic acid, 5,6-diamino-4-[(diphenylmethyl)amino]-, ethyl ester
|
38359-68-1 |
3 | 292.810 |
| 64-078-5 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, tridecyl ester
|
|
3 | 400.370 |
| 64-153-1 |
4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-
|
60367-00-2 |
3 | 332.710 |
| 64-263-9 |
1«beta»,2«beta»-Epoxy-7-hydroxy-1«alpha»-methoxymethyl-8«alpha»-pyrrolizidine
|
|
3 | 132.680 |
| 64-652-7 |
N-tert-Butyl-6-methoxy-1,3,5-triazine-2,4-diamine
|
30125-64-5 |
3 | 155.590 |
| 64-868-8 |
2-((E)-[((e)-2-([(e)-(2-hydroxyphenyl)methylidene]amino)-1-methylethyl)imino]methyl)phenol
|
|
3 | 225.970 |
| 64-888-6 |
5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine, N,N'-bis(pentafluoropropionyl)-
|
|
3 | 289.960 |
| 64-989-4 |
1,3,5-triazine-2,4,6(1H,3H,5H)-trione trihydrazone
|
10105-42-7 |
3 | 119.190 |
| 65-071-1 |
6-isopropyl-4-methyl-7,8-dihydro-6H-naphtho[1,8-bc]furan (acorafuran)
|
|
3 | 178.300 |
| 65-189-1 |
11H-Pyrido[2,1-b]quinazolin-11-one, 6,7,8,9-tetrahydro, 9-methyl
|
|
3 | 165.780 |
| 65-194-5 |
2H-Pyrido[2,1-b]quinazolin-6-one, 1,3,4,6,7,8,9,10-octahydro-7-methyl
|
|
3 | 170.270 |
| 65-262-9 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5-dimethyl
|
|
3 | 124.960 |
| 65-352-9 |
1,2,3,4,5,6-hexahydro-(7H)-cyclopentapyridine-7-one
|
|
3 | 113.410 |
| 65-385-3 |
(Z)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 2
|
|
3 | 387.710 |
| 65-405-0 |
2,5-Diethyl-5-methyl-4-propionyl-1,3,4-oxadiazoline
|
|
3 | 164.000 |
| 66-067-5 |
1,2,3,4,5,7,8,9,10,11-Decahydro-5a,12-diaza-benzo[1,2;4,5]dicyclohepten-6-one
|
|
3 | 188.470 |
| 66-183-6 |
Isomer of 1«beta»,2«beta»-Epoxy-1«alpha»-hydroxymethyl-8«alpha»-pyrrolizidine
|
|
3 | 112.720 |
| 66-377-1 |
1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-
|
|
3 | 100.420 |
| 66-378-0 |
2,4(1H,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-
|
|
3 | 165.980 |
| 66-759-7 |
Methylthiophosphonic acid, O-isobutyl, S-2-(2-(diethylaminoethylthio)ethyl) ester
|
|
3 | 268.910 |
| 67-311-2 |
1,2,3,5,6,7,8,9-Octahydro-3a,10-diaza-cyclohepta[f]inden-4-one
|
|
3 | 160.290 |
| 67-584-0 |
Methylthiophosphonic acid, O-ethyl, S-(8-diisopropylamino)-1,3,6-trithiaoctyl ester
|
|
3 | 315.700 |
| 68-191-5 |
O-(2-Bromo-1,1-difluoroethyl)-N-(1-methylpropyl)amidoethanethionophosphonate
|
|
3 | 197.280 |
| 68-259-0 |
5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine, N,N'-bis(heptafluorobutyryl)-
|
|
3 | 325.220 |
| 68-497-6 |
Phosphonothioic acid, methyl-, S-(2-(diethylamino)ethyl) O-ethyl ester
|
21770-86-5 |
3 | 196.200 |
| 68-700-9 |
3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester
|
|
3 | 135.630 |
| 68-737-9 |
2,3,4,6,7,8,9,10-Octahydro-1H-cyclohepta[d]pyrido[1,2-a]pyrimidin-11-one
|
|
3 | 174.380 |
| 68-764-9 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, isobutyl ester
|
|
3 | 273.560 |
| 68-918-8 |
Benzenaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt
|
|
3 | 129.760 |
| 69-115-8 |
2,3,4,5,7,8,9,10,11,12-Decahydro-1H-6,12a-diaza-cyclohepta[4,5]benzo[1,2]cycloocten-13-one
|
|
3 | 202.560 |
| 69-466-9 |
5-(2-Hydroxypropionyl)-6,7-dimethyl-2,3-dihydro-1H-pyrrolizine
|
|
3 | 167.040 |
| 69-573-0 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,6,7,7-pentamethyl
|
|
3 | 167.230 |
| 69-579-4 |
5-Methyl-2H-pyrazole-3-carboxylic acid, 1-methyl-2,2-pentamethylene hydrazide
|
|
3 | 177.020 |
| 70-273-1 |
(E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 1
|
|
3 | 387.710 |
| 70-301-9 |
(E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 2
|
|
3 | 387.710 |
| 70-567-5 |
2-O-acetyl-8,12-epoxygermacra-1(10),4,7,11-tetraene, isomer II
|
|
3 | 224.780 |
| 71-206-4 |
1,3,5,2,4,6-Triazatriphosphorine, 2,4,6-tribromo-2,4,6-trichloro-2,2,4,4,6,6-hexahydro-
|
|
3 | 180.540 |
| 71-280-2 |
1,3,5,2,4,6-Triazatriphosphorine, 2,4-dibromo-2,4,6,6-tetrachloro-2,2,4,4,6,6-hexahydro-
|
15964-99-5 |
3 | 175.280 |
| 71-321-6 |
Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3S*),7a«alpha»]]-
|
303-33-3 |
3 | 245.310 |
| 71-686-2 |
1-((1R,2R,3R)-2-(3-Isopropylfuran-2-yl)-3-methylcyclopentyl)ethanone
|
1143-45-9 |
3 | 199.330 |
| 72-107-3 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, dodecyl ester
|
|
3 | 386.280 |
| 72-308-0 |
Pyrido[3,4-b]pyrazine-5,7-dicarbamic acid, 2,3-diphenyl-, diethyl ester
|
16335-96-9 |
3 | 337.150 |
| 72-406-1 |
Tribenzo[a,e,i]cyclododecene,5,6,11,12,17,18-hexadehydro-
|
5385-26-2 |
3 | 241.080 |
| 72-487-2 |
(S,Z)-3-Hydroxy-1-((9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)-3-methylbutan-2-yl 2-methylbut-2-enoate
|
116988-91-1 |
3 | 300.820 |
| 73-562-7 |
L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester
|
19716-78-0 |
3 | 458.260 |
| 74-680-5 |
Glycine, 2-cyclohexyl-N-(2,2,2-trichloroethoxy)carbonyl-, 2,2,2-trichloroethyl ester
|
|
3 | 281.470 |
| 75-112-4 |
{P-[bis(2-hydroxyethyl)amino]benzyl}phosphonic acid, diethyl ester
|
16834-57-4 |
3 | 258.240 |
| 75-346-5 |
1,3,5-Triazine, hexahydro-1,3,5-tris(1-methylethyl)-
|
10556-98-6 |
3 | 199.020 |
|
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