| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 47-490-6 |
Isoquinolinium,3,4-dihydro-2-hydroxy-hydroxide,inner salt
|
|
3 | 114.600 |
| 47-986-6 |
Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, butyl ester
|
|
3 | 255.930 |
| 48-080-0 |
4-iodo-2,5-dimethoxy-«beta»-phenethylamine, deuteromethylene artifact
|
|
3 | 185.330 |
| 48-228-6 |
3«beta»-Tigloyloxy-6«beta»-isovaleryloxy-7«beta»-hydroxytropane
|
|
3 | 269.190 |
| 49-104-2 |
1-(3-Methyl-4-morpholino-2,2-diphenylbutyryl-pyrrolidine
|
|
3 | 321.270 |
| 49-533-6 |
Isonipecotic acid, N-(2-fluoro-3-chlorobenzoyl)-, butyl ester
|
|
3 | 248.770 |
| 49-799-2 |
5,6-Dehydro-7,9-dihydroxy-7H-pyrrolizineethyl ether
|
|
3 | 138.860 |
| 50-272-4 |
Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octyl ester
|
|
3 | 312.290 |
| 50-373-2 |
1,3,4,6-Tetrachloro-3alpha,6alpha-diphenyl-glycoluril
|
|
3 | 259.080 |
| 50-494-8 |
Isonipecotic acid, N-(2-fluoro-6-trifluoromethylbenzoyl)-, heptyl ester
|
|
3 | 298.200 |
| 50-619-9 |
Isonipecotic acid, N-(3-fluoro-6-trifluoromethylbenzoyl)-, butyl ester
|
|
3 | 255.930 |
| 50-642-3 |
3-Amino-5,6-dimethyltriazolo[4,3-a]pyrazine
|
|
3 | 120.470 |
| 51-222-8 |
2-(N,n-di-n-pentylamino)-3-methyl pyrazine
|
116660-29-8 |
3 | 228.390 |
| 51-401-9 |
Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, hexyl ester
|
|
3 | 284.110 |
| 51-675-6 |
Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, propyl ester
|
|
3 | 327.070 |
| 52-094-0 |
Isonipecotic acid, N-(3-fluoro-6-trifluoromethylbenzoyl)-, tridecyl ester
|
|
3 | 382.740 |
| 52-128-2 |
Imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazeno)-
|
4342-03-4 |
3 | 133.090 |
| 52-856-4 |
Isonipecotic acid, N-(3-fluoro-6-trifluoromethylbenzoyl)-, pentadecyl ester
|
|
3 | 410.920 |
| 52-867-2 |
Benzoic acid, p-(cyclohexyloxy)-, 3-(2-methylpiperidino)propyl ester
|
139-62-8 |
3 | 298.650 |
| 52-885-2 |
Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester
|
|
3 | 396.830 |
| 52-924-8 |
2-(2-Chloro-1,1,2-trifluoroethylthio)phenyl isothiocyanate
|
|
3 | 165.540 |
| 53-229-9 |
3«alpha»-Tigloyloxy-6«beta»-isovaleryloxy-7«beta»-hydroxytropane
|
|
3 | 269.190 |
| 53-571-9 |
Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, ethyl ester
|
|
3 | 312.980 |
| 54-617-7 |
Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester
|
|
3 | 396.830 |
| 54-735-6 |
Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, ethyl ester
|
|
3 | 312.980 |
| 54-757-2 |
Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tridecyl ester
|
|
3 | 382.740 |
| 55-327-8 |
4-iodo-2,5-dimethoxy-«beta»-phenethylamine, methylene artifact
|
|
3 | 185.330 |
| 55-930-8 |
Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, heptyl ester
|
|
3 | 298.200 |
| 56-268-3 |
N,N-Dimethyl-2-phenyl-N'-(3-bromophenyl)-acetamidine
|
|
3 | 221.940 |
| 56-878-6 |
2(1H)-Pyridinethione, 1-ethyl-3-hydroxy-6-methyl-
|
24207-15-6 |
3 | 132.020 |
| 57-005-3 |
Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, isohexyl ester
|
|
3 | 284.110 |
| 57-069-3 |
1,3,5-TRIAZINE-2,4(1H,3H)-DIONE
|
|
3 | 71.050 |
| 57-152-0 |
Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, ethyl ester
|
|
3 | 227.750 |
| 57-619-2 |
Isonipecotic acid, N-(3-fluoro-6-trifluoromethylbenzoyl)-, pentyl ester
|
|
3 | 270.020 |
| 58-995-4 |
Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, butyl ester
|
|
3 | 341.160 |
| 59-141-0 |
Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, tridecyl ester
|
|
3 | 382.740 |
| 59-247-3 |
Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester
|
|
3 | 396.830 |
| 59-938-6 |
2-Pyrazoline, 5-ethyl-3,5-dimethyl, N-acetyl
|
|
3 | 144.040 |
| 60-101-2 |
Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester
|
|
3 | 227.750 |
| 60-357-9 |
Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, isobutyl ester
|
|
3 | 255.930 |
| 60-453-2 |
2-Deoxy-D-ribose, tris(trifluoroacetate), methyloxime (isomer 2)
|
|
3 | 229.740 |
| 60-466-8 |
2-Propenal, 2-methyl, 2,4,6-trichlorophenyl hydrazone
|
|
3 | 176.080 |
| 60-934-8 |
Acetamide, n-[2-(9h-purin-6-yl-thio)ethyl]-
|
|
3 | 166.570 |
| 61-257-9 |
Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, isohexyl ester
|
|
3 | 284.110 |
| 61-362-2 |
Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester
|
|
3 | 382.740 |
| 61-558-5 |
1-(1-Methoxycarbonyl-1-methylpropyl)-2-methoxydiazen-1-oxide
|
|
3 | 144.330 |
| 61-814-0 |
1,3,5-Triazine, 2,4,6-tris(pentafluoroethyl)-
|
858-46-8 |
3 | 170.400 |
| 61-856-4 |
Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, pentyl ester
|
|
3 | 270.020 |
| 62-625-9 |
Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, nonyl ester
|
|
3 | 326.380 |
| 62-690-7 |
2-(4-Chlorophenyl)-5-methoxy-1,3,4-oxadiazole
|
|
3 | 138.390 |
| 62-998-6 |
2-Pyrazoline, 4,4-dimethyl-5-isopropyl, N-acetyl
|
|
3 | 158.130 |
| 63-018-2 |
2-Pyrazoline, 3-butyl-5,5-dimethyl, N-acetyl
|
|
3 | 172.220 |
| 63-109-1 |
Isonipecotic acid, N-(2-fluoro-6-trifluoromethylbenzoyl)-, octyl ester
|
|
3 | 312.290 |
| 64-343-0 |
Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, butyl ester
|
|
3 | 341.160 |
| 64-900-1 |
Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl ester
|
|
3 | 255.930 |
| 65-179-2 |
Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, propyl ester
|
|
3 | 241.840 |
| 65-327-7 |
Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptyl ester
|
|
3 | 298.200 |
| 65-358-3 |
O-(2-Chloro-1,1-difluoroethyl)-N,N-diethylamidoethanethionophosphonate
|
|
3 | 192.020 |
| 65-627-4 |
Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptyl ester
|
|
3 | 298.200 |
| 67-671-3 |
Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, nonyl ester
|
|
3 | 326.380 |
| 67-872-0 |
Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, decyl ester
|
|
3 | 340.470 |
| 67-937-8 |
5,5-Pentamethylene-4-acetyl-1,3,4-oxadiazoline
|
|
3 | 139.050 |
| 68-188-9 |
Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, ethyl ester
|
|
3 | 312.980 |
| 68-490-3 |
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-
|
19179-12-5 |
3 | 110.870 |
| 68-957-5 |
Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, dodecyl ester
|
|
3 | 368.650 |
| 69-251-7 |
Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester
|
|
3 | 312.290 |
| 69-394-9 |
4H-1,2,4-Triazol-3-amine, 4-ethyl-
|
|
3 | 87.680 |
| 70-043-6 |
2-Deoxy-D-ribose, tris(trifluoroacetate), methyloxime (isomer 1)
|
|
3 | 229.740 |
| 71-142-5 |
2,3-Dihydro-6-methylthieno[2,3-c]furan
|
|
3 | 101.390 |
| 72-104-6 |
L-Proline, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester
|
|
3 | 389.670 |
| 72-157-8 |
2,4-Dibromophenyl bis(5-isopropyl-2-methylphenyl) phosphate
|
116295-53-5 |
3 | 384.860 |
| 72-225-2 |
L-Proline, N-(3-chloro-2-fluorobenzoyl)-, tetradecyl ester
|
|
3 | 375.580 |
| 74-020-7 |
Dibenzo[b,d]thiophene, 1,3,6,7-tetramethyl-
|
|
3 | 194.270 |
| 75-446-4 |
Pyridine, 3-(1-buten-1-yl)-4-propyl, (E)-
|
|
3 | 161.860 |
| 75-886-6 |
2-((3,3-Dimethyloxiran-2-yl)methyl)-3-methylfuran
|
92356-06-4 |
3 | 133.180 |
| 76-387-9 |
5-methyl-1-(2-methylpropyl)-1H-pyrrole-2-carboxaldehyde
|
|
3 | 143.850 |
| 76-411-1 |
1,3,2-Diazaphosphepine, hexahydro-2-phenoxy 1-sulfide
|
|
3 | 179.780 |
| 77-558-8 |
Pyrrolidine, 1,5-dimethyl-2-ethylidene-3,3-diphenyl
|
|
3 | 239.960 |
| 78-114-9 |
5-Propionyl-7-methyl-2,3-dihydro-1H-pyrrolizine
|
|
3 | 147.080 |
| 78-939-4 |
5-Propionyl-6-methyl-2,3-dihydro-1H-pyrrolizine
|
|
3 | 147.080 |
| 79-557-7 |
Pyridine, 3-(1-buten-1-yl)-4-propyl, (Z)-
|
|
3 | 161.860 |
| 80-432-3 |
2-(2-ethylhexyl)-3-methylfuro[2,3-h]quinoline
|
|
3 | 250.130 |
| 80-613-2 |
1H-1,2,4-Triazole, 1,3,5-triphenyl-
|
1043-46-5 |
3 | 231.860 |
| 81-001-0 |
2-Amino-5-tert-butyl-1,3,4-thiadiazole
|
39222-73-6 |
3 | 122.230 |
| 81-404-3 |
4-Methyl-3-penten-2-one, O-ethyloxime, syn
|
|
3 | 130.830 |
| 82-531-1 |
L-Proline, N-(3-chloro-2-fluorobenzoyl)-, ethyl ester
|
|
3 | 206.500 |
| 82-889-5 |
2-(N,n-di-n-hexylamino)-3-methyl pyrazine
|
|
3 | 256.570 |
| 83-455-5 |
1,5,6-trimethyl-3-isobutyl-2(1H)-pyrazinone
|
|
3 | 167.920 |
| 83-504-0 |
1,3-Propanediol, 2,2-dimethyl-, cyclic phenyl phosphonate
|
882-69-9 |
3 | 169.300 |
| 85-116-9 |
2-(P-t-butyl phenyl mercapto)-3-methyl pyrazine
|
|
3 | 211.000 |
| 85-156-5 |
1,2-bis-(1-Pyrrolidinyl)-1-buten-3-one
|
|
3 | 175.450 |
| 85-458-0 |
N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)acetamide
|
634607-26-4 |
3 | 184.080 |
| 85-673-1 |
2,3,5-trimethyl-5,7-dihydro-(5H)-cyclopentapyrazine
|
|
3 | 137.100 |
| 85-919-8 |
7-acetyl-5-methyl-2,3-dihydro-(1H)-pyrrolizine
|
|
3 | 132.990 |
| 85-927-9 |
2-Methyl-3[(2-methyl-3-thienyl)dithio]furan
|
|
3 | 167.760 |
| 86-751-3 |
2-(N-butyl-p-pentylanilino)-3-(n-pentyl) pyrazine
|
|
3 | 331.440 |
| 87-033-9 |
4-([Bis(2-methylphenoxy)phosphoryl]oxy)-1,1'-biphenyl
|
|
3 | 326.100 |
| 88-090-5 |
1,3-Dioxolan-2-one, 4,5-bis(methylene)-
|
|
3 | 75.160 |
| 89-616-0 |
5-(3,4-Diacetoxy-1-butenynyl)-2,2'-bithienyl
|
|
3 | 236.360 |
| 91-044-2 |
5-Methyl-2H-pyrazole-3-carboxylic acid, 2-phenylhydrazide
|
|
3 | 164.120 |
|
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