| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 17-661-9 |
N-(4-Methoxy-1,3-benzothiazol-2-yl)-N-(2,2,3,3,3-pentafluoropropanoyl)-2,2,3,3,3-pentafluoropropanamide
|
|
3 | 232.220 |
| 17-969-8 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, tetradecyl ester
|
|
3 | 414.460 |
| 18-152-3 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-methyl
|
|
3 | 120.280 |
| 18-213-5 |
2-O-acetyl-8,12-epoxygermacra-1(10),4,7,11-tetraene, isomer I
|
|
3 | 224.780 |
| 18-430-4 |
5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)-
|
56990-57-9 |
3 | 291.560 |
| 18-481-8 |
Benzeneacetic acid, «alpha»-hydroxy-«alpha»-phenyl-, 1-methyl-3-piperidinyl ester
|
3321-80-0 |
3 | 257.570 |
| 18-495-3 |
Isonipecotic acid, N-(2,6-difluoro-3-methylbenzoyl)-, butyl ester
|
|
3 | 252.390 |
| 18-772-5 |
Benzenamine, N-[3-phenyl-4,5-bis[(trifluoromethyl)imino]-2-thiazolidinylidene]-
|
37893-02-0 |
3 | 246.000 |
| 18-921-9 |
7,8,9,10-Tetrahydro-6H-cyclohepta[d]pyrido[1,2-a]pyrimidin-11-one
|
|
3 | 192.770 |
| 18-998-5 |
3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-
|
2749-59-9 |
3 | 87.680 |
| 19-052-3 |
(9Z,11E)-Hexadeca-9,11-dien-1-ol, adduct with 4-methyl-3,5-dihydro-1,2,4-triazole-3,5-dione
|
|
3 | 291.500 |
| 19-101-8 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, butyl ester
|
|
3 | 273.560 |
| 19-223-3 |
3-Ethyl-2-isopropyl-3,5-dimethyl-1,4,2-diazaphosphorine-2-oxide
|
|
3 | 219.790 |
| 19-257-6 |
O-Ethyl-O-(1,1-difluoro-2-bromoethyl)-N-propyl-phosphorothioamidate
|
|
3 | 189.060 |
| 19-309-8 |
Spirocyclohexane-2-(1,5,6-triazabicyclo[3.1.0]hexane), 4,4,6-tris(trifluoromethyl)-
|
130720-67-1 |
3 | 179.140 |
| 19-472-7 |
1,3-Cyclobutanediimine, n,n'-dicyclohexyl-2,2,4,4-tetramethyl
|
|
3 | 271.440 |
| 19-532-0 |
N,n-dimethyl-p-methyl phosphonamidic acid, n-propyl ester
|
|
3 | 137.580 |
| 19-648-2 |
Isonipecotic acid, N-(2,6-difluoro-3-methylbenzoyl)-, isohexyl ester
|
|
3 | 280.570 |
| 19-666-2 |
cis-N-(1-Bicyclo[2.2.1]heptyl)-N'-(1-bicyclo[2.2.2]octyl)diazene
|
|
3 | 194.430 |
| 19-865-1 |
Naphtho[1,8',8:c,d]cyclodeca-1,5-diiyne
|
|
3 | 179.110 |
| 20-217-8 |
Di[1,1'-biphenyl]-2-yl 4-(1-phenylethyl)phenyl phosphate
|
116402-02-9 |
3 | 447.660 |
| 20-274-5 |
[(1R)-7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] hexanoate
|
|
3 | 219.480 |
| 20-445-5 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, pentyl ester
|
|
3 | 274.120 |
| 20-740-7 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5-dimethyl-7,7-tetramethylene
|
|
3 | 170.460 |
| 20-849-7 |
Irgacure 369 (2-Benzyl-2-(dimethylamino)-1-[4-(morpholinyl) phenyl)]-1-butanone)
|
|
3 | 303.950 |
| 21-019-7 |
Thiazolo[3,2-a]pyridinium, 3-hydroxy-2-phenyl-, hydroxide, inner salt
|
|
3 | 163.550 |
| 21-039-5 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, isohexyl ester
|
|
3 | 288.210 |
| 21-246-5 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,6-trimethyl
|
|
3 | 139.050 |
| 21-300-4 |
Phosphoric acid, 2-(diethylamino)-6-methyl-4-pyrimidinyl diethyl ester
|
|
3 | 244.150 |
| 21-497-7 |
O-Ethyl-O-(1,1-difluoro-2-chloroethyl)-N-allyl-phosphorothioamidate
|
|
3 | 179.500 |
| 21-616-4 |
Pyridine, 1,1'-[1,2-phenylenebis(1-oxo-2,1-ethanediyl)]bis[1,2,3,4-tetrahydro-
|
|
3 | 261.680 |
| 21-745-1 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, butyl ester
|
|
3 | 260.030 |
| 22-150-0 |
5,5-Dimethyl-2-phenyl-4-acetyl-1,3,4-oxadiazoline
|
|
3 | 168.420 |
| 22-200-4 |
7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine-4,13(14H)-dione, decahydro-, [7S-(7«alpha»,7a«beta»,14«alpha»,14a«alpha»)]-
|
|
3 | 201.870 |
| 22-377-9 |
6H-Pyrido[2,1-b]quinazolin-6-one, 7,8,9,10-tetrahydro-6-methyl
|
|
3 | 165.780 |
| 22-392-2 |
Cyclopentyl-hydroxy-phenyl-acetic acid 1-methyl-pyrrolidin-3-yl ester
|
|
3 | 242.290 |
| 22-415-6 |
Thiazolo[3,2-a]pyridinium, 8-hydroxy-3-methyl-, hydroxide, inner salt
|
30276-99-4 |
3 | 116.860 |
| 22-588-5 |
5-Methyl-2H-pyrazole-3-carboxylic acid, 2,2-tetramethylene hydrazide
|
|
3 | 148.840 |
| 22-957-5 |
4H-cyclopenteno[2,3-e]pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro
|
|
3 | 137.600 |
| 23-018-6 |
Thiazolo[3,2-a]pyridinium, 2,3-dihydro-8-hydroxy-5-methyl-, hydroxide, inner salt
|
23003-43-2 |
3 | 121.160 |
| 23-171-6 |
2,5,5-Trimethyl-4-acetyl-1,3,4-oxadiazoline
|
|
3 | 121.730 |
| 23-277-9 |
4-Quinolinol,1-ethyl-4-ethynyldecahydro-2-methyl-(2«alpha»,4«beta»,4a«alpha»,8a«beta»)
|
38463-55-7 |
3 | 193.650 |
| 23-932-1 |
2,6-Pyridinedicarboxylic acid, 1-methoxydec-4-yl propyl ester
|
|
3 | 313.720 |
| 23-954-7 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro
|
|
3 | 114.790 |
| 24-071-6 |
Imidazole, 2,3-dihydro-1-methyl-2-acetylimino-3-acetyl-4acetyloxy-
|
|
3 | 172.820 |
| 24-886-2 |
4-CHLORO-3-(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)BENZENESULFONIC ACID
|
|
3 | 180.570 |
| 24-913-1 |
2-Pyrazoline, 4,4-dimethyl-5-(1-methylethyl), 1-benzoyl
|
|
3 | 204.820 |
| 25-019-3 |
2,3,5,6,7,8-Hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one
|
88491-50-3 |
3 | 146.200 |
| 25-181-3 |
2-Methyl-5,5-pentamethylene-4-acetyl-1,3,4-oxadiazoline
|
|
3 | 153.140 |
| 25-282-1 |
[(7R)-7-Hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl hexanoate
|
|
3 | 205.390 |
| 25-753-8 |
O-Ethyl-O-(1,1-difluoro-2-bromoethyl)-N-metyl-phosphorothioamidate
|
|
3 | 160.880 |
| 25-842-9 |
Isonipecotic acid, N-(2,6-difluoro-3-methylbenzoyl)-, isobutyl ester
|
|
3 | 252.390 |
| 25-902-2 |
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-
|
18161-94-9 |
3 | 154.800 |
| 25-971-6 |
2-Amino-4,6-dihydroxypyrimidine, N,O,O'-tris(pentafluoropropionyl)-
|
|
3 | 243.210 |
| 26-069-7 |
2,6-Pyridinedicarboxylic acid, 2-methylbutyl 2-methylhex-3-yl ester
|
|
3 | 279.670 |
| 26-538-6 |
Thiazolo[3,2-a]pyridinium, 8-hydroxy-3,5-dimethyl-, hydroxide, inner salt
|
|
3 | 130.950 |
| 26-677-2 |
(Z)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 1
|
|
3 | 387.710 |
| 26-784-3 |
cis-N-(1-Bicyclo[2.2.1]heptyl-N'-(1-adamantyl)diazene
|
|
3 | 211.750 |
| 26-810-3 |
3,3,7,7-Tetramethyl-1,5-diazabicyclo[3.3.0]octane
|
2940-98-9 |
3 | 150.000 |
| 27-489-0 |
7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 1,2,3,7,9,10,11,13,14,14a-decahydro-, [7S-(7«alpha»,14«alpha»,14a«alpha»)]-
|
35611-60-0 |
3 | 196.000 |
| 27-524-0 |
4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«alpha»,8a«beta»)-
|
20422-70-2 |
3 | 188.160 |
| 27-724-8 |
3,4-Dihydro-3,3-dimethyl-2-p-tolyl-2H-1,4,2-benzoxazaphosphorine-2-oxide
|
|
3 | 220.100 |
| 27-834-6 |
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3R*),7a«alpha»]]-
|
480-83-1 |
3 | 231.220 |
| 27-941-7 |
Furan-3-carboxylic acid, 4-methyl-2-(2-methoxycarbonylethyl)-5-(4-hydroxypentyl), methyl ester
|
|
3 | 243.460 |
| 28-396-2 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,6-dimethyl-7,7-pentamethylene
|
|
3 | 184.550 |
| 28-430-3 |
4-Quinolinol,4-ethenyl-1-ethyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«alpha»,8a«beta»)
|
38463-57-9 |
3 | 197.950 |
| 28-574-4 |
2-(N-n-hexyl-n-n-octylamino)-3-(n-nonyl) pyrazine
|
116402-86-9 |
3 | 397.470 |
| 28-866-0 |
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7-trimethyl-
|
|
3 | 142.190 |
| 29-109-9 |
N-(5,6-Dichloro-1,3-benzothiazol-2-yl)acetamide
|
|
3 | 161.110 |
| 29-171-0 |
Acetamide, N-phenyl-N-[1-(1-phenyl-2-propyl)-4-piperidinyl]-
|
90736-19-9 |
3 | 283.990 |
| 29-281-8 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-6-methyl-
|
|
3 | 128.880 |
| 29-375-4 |
4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2«alpha»,4«beta»,4a«alpha»,8a«beta»)-
|
14788-65-9 |
3 | 179.560 |
| 29-453-7 |
[(3R)-7-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-methylpent-2-enoate
|
|
3 | 205.390 |
| 29-716-5 |
4-Quinolinol,1-ethyl-4-ethynyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«beta»,8a«alpha»)
|
38463-56-8 |
3 | 193.650 |
| 29-986-6 |
4-Quinolinol, 4-ethenyldecahydro-1,2-dimethyl-, (2«alpha»,4«beta»,4a«alpha»,8a«beta»)-
|
20431-95-2 |
3 | 183.860 |
| 30-026-9 |
4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2«alpha»,4«beta»,4a«alpha»,8a«beta»)-
|
20422-72-4 |
3 | 188.160 |
| 30-247-4 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl
|
|
3 | 120.280 |
| 30-334-7 |
1-(P-chlorophenyl)-3-(o-hydroxyphenyl)-2-propen-1-oxime
|
116557-94-9 |
3 | 200.050 |
| 30-400-3 |
5,5'-Diphenyl-[2,2'-azo-1,3,4-thiadiazole]
|
101279-08-7 |
3 | 238.140 |
| 30-619-1 |
2-Amino-4,6-dihydroxypyrimidine, N,O,O'-tris(trifluoroacetyl)-
|
|
3 | 190.320 |
| 31-195-1 |
Thiazolo[3,2-a]pyridinium,3,8-dihydroxy-,hydroxide,inner salt
|
35143-55-6 |
3 | 108.640 |
| 31-300-3 |
N-(1,2-Dimethylpropyl)-N,N-bis(heptafluorobutyryl)-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
|
|
3 | 348.980 |
| 31-530-8 |
2,6-Pyridinedicarboxylic acid, isopropyl 2-methylhex-3-yl ester
|
|
3 | 251.490 |
| 31-791-9 |
5-Acetamino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
|
|
3 | 255.110 |
| 31-952-0 |
2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-butyloxy-phenyl)propanoic acid, butyl ester
|
|
3 | 310.110 |
| 32-132-9 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, octyl ester
|
|
3 | 316.390 |
| 32-242-7 |
2,4,6(1H,3h,5h)-pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-
|
|
3 | 216.680 |
| 32-318-3 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, isobutyl ester
|
|
3 | 260.030 |
| 32-570-3 |
Phosphorothioic acid, S-[2-[(1-cyano-1-methylethyl)amino]-2-oxoethyl] O,O-diethyl ester
|
3734-95-0 |
3 | 219.110 |
| 32-772-9 |
7H-imidazo[4,5-d]-v-triazin-4-ol, 7-butyl-, (keto form)
|
|
3 | 140.430 |
| 32-797-2 |
N-(5,6-Dichloro-1,3-benzothiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide
|
|
3 | 184.050 |
| 32-817-9 |
5,5-Diethyl-2-methyl-4-acetyl-1,3,4-oxadiazoline
|
|
3 | 149.910 |
| 33-526-1 |
1-[[(1S)-2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-yl]methyl]pyrrolidine-2,5-dione
|
|
3 | 198.640 |
| 33-888-0 |
Phosphoric acid, 7-chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl ester
|
23560-59-0 |
3 | 163.530 |
| 33-942-9 |
2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2-methylpentyl ester
|
|
3 | 293.760 |
| 34-074-2 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 3-methyl
|
|
3 | 128.880 |
| 34-097-7 |
Isonipecotinoylisonipecotic acid, N'-(2,5-di(trifluoromethyl)benzoyl)-, propyl ester
|
|
3 | 344.700 |
| 34-142-6 |
4,4'-Bis(2-amino-1-naphthylazo)-2,2'-stilbene disulfonic acid
|
5437-12-7 |
3 | 470.860 |
| 34-583-7 |
Isonipecotic acid, N-(2,6-difluoro-3-methylbenzoyl)-, hexyl ester
|
|
3 | 280.570 |
| 34-606-1 |
N-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
|
|
3 | 267.480 |
|
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