| AMP
|
BMRB bmse000005 |
Simulation_1 |
499.84 |
Download |
| ATP
|
BMRB bmse000006 |
Simulation_1 |
499.84 |
Download |
| Adenine
|
BMRB bmse000060 |
Simulation_1 |
499.84 |
Download |
| Adenosine
|
BMRB bmse000061 |
Simulation_1 |
499.84 |
Download |
| Agmatine
|
BMRB bmse000063 |
Simulation_1 |
499.84 |
Download |
| Alpha-ketoglutaric-acid
|
BMRB bmse000064 |
Simulation_1 |
400.13 |
Download |
| 4-Aminobenzoic-acid
|
BMRB bmse000066 |
Simulation_1 |
499.84 |
Download |
| Anthranilic-acid
|
BMRB bmse000067 |
Simulation_1 |
499.84 |
Download |
| (+-)-Acetylcarnitine
|
BMRB bmse000142 |
Simulation_1 |
400.13 |
Download |
| 5-Acetylamido-2-chloroaniline
|
BMRB bmse000143 |
Simulation_1 |
400.13 |
Download |
| ADA
|
BMRB bmse000146 |
Simulation_1 |
400.13 |
Download |
| 4-Aminoantipyrine
|
BMRB bmse000147 |
Simulation_1 |
400.13 |
Download |
| 4-2-Aminoethyl-morpholine
|
BMRB bmse000154 |
Simulation_1 |
400.13 |
Download |
| Acetylcholine
|
BMRB bmse000168 |
Simulation_1 |
400.13 |
Download |
| 5-Acetylamino-2-nitrobenzoic-acid
|
BMRB bmse000174 |
Simulation_1 |
400.13 |
Download |
| 2-Amino-5-ethyl-1,3,4-thiadiazole
|
BMRB bmse000176 |
Simulation_1 |
400.13 |
Download |
| Alpha-naphthoic-acid
|
BMRB bmse000178 |
Simulation_1 |
400.13 |
Download |
| Acetic-acid
|
BMRB bmse000191 |
Simulation_1 |
400.13 |
Download |
| Acetophenone
|
BMRB bmse000286 |
Simulation_1 |
400.13 |
Download |
| 1-Amino-2-propanol
|
BMRB bmse000305 |
Simulation_1 |
499.84 |
Download |
| 2-Amino-1-phenylethanol
|
BMRB bmse000307 |
Simulation_1 |
499.84 |
Download |
| 2-Aminoethyl-dihydrogen-phosphate
|
BMRB bmse000308 |
Simulation_1 |
499.84 |
Download |
| 2-Aminoethylphosphonic-acid
|
BMRB bmse000309 |
Simulation_1 |
499.84 |
Download |
| 2-Aminophenol
|
BMRB bmse000310 |
Simulation_1 |
499.84 |
Download |
| 6-Aminopenicillanic-acid
|
BMRB bmse000312 |
Simulation_1 |
499.84 |
Download |
| Arbutin
|
BMRB bmse000365 |
Simulation_1 |
499.84 |
Download |
| Acrylamide
|
BMRB bmse000392 |
Simulation_1 |
499.84 |
Download |
| 6-Aminohexanoic-acid
|
BMRB bmse000394 |
Simulation_1 |
499.84 |
Download |
| Ala-Ala
|
BMRB bmse000403 |
Simulation_1 |
499.84 |
Download |
| 5-Aminovaleric acid
|
BMRB bmse000419 |
Simulation_1 |
499.84 |
Download |
| Adipic-acid
|
BMRB bmse000424 |
Simulation_1 |
499.84 |
Download |
| Acetylcholine
|
BMRB bmse000434 |
Simulation_1 |
499.84 |
Download |
| Allantoin
|
BMRB bmse000437 |
Simulation_1 |
499.84 |
Download |
| 4-Aminophenol
|
BMRB bmse000462 |
Simulation_1 |
499.84 |
Download |
| Acetyl-L-carnitine
|
BMRB bmse000464 |
Simulation_1 |
499.84 |
Download |
| Acetaldehyde-oxime-mixture
|
BMRB bmse000467 |
Simulation_1 |
499.84 |
Download |
| 4-Acetamidobutyric-acid
|
BMRB bmse000468 |
Simulation_1 |
499.84 |
Download |
| Acetosyringone
|
BMRB bmse000576 |
Simulation_1 |
499.84 |
Download |
| Acetovanillone
|
BMRB bmse000584 |
Simulation_1 |
499.84 |
Download |
| 2-Amino-3-methoxybenzoic-acid
|
BMRB bmse000692 |
Simulation_1 |
499.84 |
Download |
| Acetamide
|
BMRB bmse000825 |
Simulation_1 |
499.84 |
Download |
| Acetonitrile
|
BMRB bmse000826 |
Simulation_1 |
499.84 |
Download |
| ATP
|
BMRB bmse000854 |
Simulation_1 |
600.13 |
Download |
| Acetic acid
|
BMRB bmse000857 |
Simulation_1 |
600.13 |
Download |
| Adenine
|
BMRB bmse000861 |
Simulation_1 |
600.13 |
Download |
| AMP
|
BMRB bmse000873 |
Simulation_1 |
499.84 |
Download |
| 4-Aminobenzoic acid
|
BMRB bmse000916 |
Simulation_1 |
600.13 |
Download |
| Anthranilic acid
|
BMRB bmse000917 |
Simulation_1 |
600.13 |
Download |
| Agmatine
|
BMRB bmse000936 |
Simulation_1 |
600.13 |
Download |
| 5-Aminovaleric-acid
|
BMRB bmse000957 |
Simulation_1 |
499.84 |
Download |
| 2-Amino-6-chloropurine
|
BMRB bmse000984 |
Simulation_1 |
499.84 |
Download |
| 5-Aminovaleric acid
|
BMRB bmse000990 |
Simulation_1 |
499.84 |
Download |
| 2-Amino-3-hydroxybutanoic acid
|
BMRB bmse001142 |
Simulation_1 |
499.84 |
Download |
| 2-Amino-3-(3H-imidazol-4-yl)propanoic acid
|
BMRB bmse001144 |
Simulation_1 |
499.84 |
Download |
| 4-Amino-1,2-oxazolidin-3-one
|
BMRB bmse001150 |
Simulation_1 |
499.84 |
Download |
| 2-Amino-4-ethylsulfanylbutanoic acid
|
BMRB bmse001158 |
Simulation_1 |
499.84 |
Download |
| AZULENE
|
BMRB bmse001162 |
Simulation_1 |
499.84 |
Download |
| Acenaphthene
|
BMRB bmse001198 |
Simulation_1 |
499.84 |
Download |
| 2-Amino-4-chlorobenzoic acid
|
Maybridge_Ro3_Fragment_01_E02 |
Simulation_1 |
600.01 |
Download |
| 6-Amino-1,3-dihydroisobenzofuran-1-one
|
Maybridge_Ro3_Fragment_02_C03 |
Simulation_1 |
600.01 |
Download |
| 3-Aminomethylbenzoic acid methyl ester hydrochloride
|
Maybridge_Ro3_Fragment_02_F04 |
Simulation_1 |
600.01 |
Download |
| 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one
|
Maybridge_Ro3_Fragment_02_F05 |
Simulation_1 |
600.01 |
Download |
| 4-(Aminomethyl)pyrimidine hydrochloride
|
Maybridge_Ro3_Fragment_03_B11 |
Simulation_1 |
600.01 |
Download |
| 2-Amino-5-hydroxypyrimidine
|
Maybridge_Ro3_Fragment_03_C03 |
Simulation_1 |
600.01 |
Download |
| 3-Amino-5-(tert-butyl)thiophene-2-carboxamide
|
Maybridge_Ro3_Fragment_03_E10 |
Simulation_1 |
600.01 |
Download |
| 3-Amino-5-ethyl-1H-pyrazole
|
Maybridge_Ro3_Fragment_03_E11 |
Simulation_1 |
600.01 |
Download |
| 4-Amino-3-(trifluoromethoxy)benzonitrile
|
Maybridge_Ro3_Fragment_04_D07 |
Simulation_1 |
600.01 |
Download |
| 4-Amino-2-chloro-5-fluoropyrimidine
|
Maybridge_Ro3_Fragment_04_G07 |
Simulation_1 |
600.01 |
Download |
| 2-Amino-5-fluoropyridine
|
Maybridge_Ro3_Fragment_05_D03 |
Simulation_1 |
600.01 |
Download |
| 2-Amino-6-fluorobenzoic acid
|
Maybridge_Ro3_Fragment_05_F05 |
Simulation_1 |
600.01 |
Download |
| 3-Acetylpyridine
|
Maybridge_Ro3_Fragment_05_G04 |
Simulation_1 |
600.01 |
Download |
| 2-Amino-1-methylbenzimidazole
|
Maybridge_Ro3_Fragment_06_B10 |
Simulation_1 |
600.01 |
Download |
| 2-Amino-5-methylthio-1,3,4-thiadiazole
|
Maybridge_Ro3_Fragment_06_B11 |
Simulation_1 |
600.01 |
Download |
| 2-Aminobenzothiazole
|
Maybridge_Ro3_Fragment_06_D06 |
Simulation_1 |
600.01 |
Download |
| 3'-Aminoacetophenone
|
Maybridge_Ro3_Fragment_06_D07 |
Simulation_1 |
600.01 |
Download |
| 3-Acetyl-2,4-dimethylpyrrole
|
Maybridge_Ro3_Fragment_06_G02 |
Simulation_1 |
600.01 |
Download |
| 4-Amino-2-chlorobenzoic acid
|
Maybridge_Ro3_Fragment_06_G08 |
Simulation_1 |
600.01 |
Download |
| 2-Anilinoethanol
|
Maybridge_Ro3_Fragment_06_H07 |
Simulation_1 |
600.01 |
Download |
| 3-Acetylbenzonitrile
|
Maybridge_Ro3_Fragment_06_H10 |
Simulation_1 |
600.01 |
Download |
| 1-(4-Amino-2-hydroxyphenyl)ethan-1-one
|
Maybridge_Ro3_Fragment_07_B10 |
Simulation_1 |
600.01 |
Download |
| 1-Acetylpiperazine
|
Maybridge_Ro3_Fragment_07_C02 |
Simulation_1 |
600.01 |
Download |
| 2-Acetyl-7-methoxybenzofuran
|
Maybridge_Ro3_Fragment_07_C03 |
Simulation_1 |
600.01 |
Download |
| 6-Amino-benzoxazole
|
Maybridge_Ro3_Fragment_07_D06 |
Simulation_1 |
600.01 |
Download |
| 3-Amino-6-chloropyridine
|
Maybridge_Ro3_Fragment_07_E03 |
Simulation_1 |
600.01 |
Download |
| 2-Amino-4-methylbenzoic acid
|
Maybridge_Ro3_Fragment_08_H04 |
Simulation_1 |
600.01 |
Download |
| 3A,6a-dimethylperhydropentalene-1,4-dione
|
Maybridge_Ro3_Fragment_09_D05 |
Simulation_1 |
600.01 |
Download |
| 4-(2-Amino-1,3-thiazol-4-yl)phenol
|
Maybridge_Ro3_Fragment_10_H07 |
Simulation_1 |
600.01 |
Download |
| 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylic acid
|
Maybridge_Ro3_Fragment_11_A06 |
Simulation_1 |
600.01 |
Download |
| 1-(2-Amino-4-hydroxy-3-propylphenyl)ethan-1-one
|
Maybridge_Ro3_Fragment_12_C02 |
Simulation_1 |
600.01 |
Download |
| (3-Aminophenyl)(phenyl)methanone
|
Maybridge_Ro3_Fragment_12_D06 |
Simulation_1 |
600.01 |
Download |
| 4-Amino-3-chlorobenzonitrile
|
Maybridge_Ro3_Fragment_12_E06 |
Simulation_1 |
600.01 |
Download |
| Aminopyrazine
|
Maybridge_Ro3_Fragment_13_E05 |
Simulation_1 |
600.01 |
Download |
| 3-Acetylthiophene
|
Maybridge_Ro3_Fragment_13_E06 |
Simulation_1 |
600.01 |
Download |
| Betaine
|
BMRB bmse000069 |
Simulation_1 |
499.84 |
Download |
| Betaine-aldehyde
|
BMRB bmse000070 |
Simulation_1 |
400.13 |
Download |
| Beta-alanine
|
BMRB bmse000159 |
Simulation_1 |
499.84 |
Download |
| Biotin
|
BMRB bmse000227 |
Simulation_1 |
600.13 |
Download |
| Benzonitrile
|
BMRB bmse000284 |
Simulation_1 |
400.13 |
Download |
| Benzoate
|
BMRB bmse000300 |
Simulation_1 |
400.13 |
Download |
| 1,4-Benzoquinone
|
BMRB bmse000304 |
Simulation_1 |
499.84 |
Download |
| Butyric-acid
|
BMRB bmse000402 |
Simulation_1 |
499.84 |
Download |
| Benzyl-alcohol
|
BMRB bmse000407 |
Simulation_1 |
499.84 |
Download |
| Butanol
|
BMRB bmse000447 |
Simulation_1 |
499.84 |
Download |
| Biphenyl
|
BMRB bmse000506 |
Simulation_1 |
400.13 |
Download |
| Benzamide
|
BMRB bmse000668 |
Simulation_1 |
499.84 |
Download |
| Benzylsuccinic-acid
|
BMRB bmse000695 |
Simulation_1 |
499.84 |
Download |
| Bis-2-butoxyethyl-phthalate
|
BMRB bmse000734 |
Simulation_1 |
499.84 |
Download |
| 1-2-4-Benzenetriol
|
BMRB bmse000831 |
Simulation_1 |
499.84 |
Download |
| Betaine
|
BMRB bmse000948 |
Simulation_1 |
600.13 |
Download |
| Beta-Alanine
|
BMRB bmse000967 |
Simulation_1 |
600.13 |
Download |
| Butyraldehyde
|
BMRB bmse000972 |
Simulation_1 |
499.84 |
Download |
| 2-[2-[2-[2-(Bis(carboxymethyl)amino)ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
|
BMRB bmse001200 |
Simulation_1 |
499.84 |
Download |
| 1-Benzothiophen-5-amine
|
Maybridge_Ro3_Fragment_01_C07 |
Simulation_1 |
600.01 |
Download |
| Benzo[b]furan-3-ylacetic acid
|
Maybridge_Ro3_Fragment_01_H08 |
Simulation_1 |
600.01 |
Download |
| (2-Butyl-1H-imidazol-4-yl)methanol
|
Maybridge_Ro3_Fragment_02_E07 |
Simulation_1 |
600.01 |
Download |
| 1-Benzothiophen-3-ylmethanol
|
Maybridge_Ro3_Fragment_02_E10 |
Simulation_1 |
600.01 |
Download |
| Benzo[d]isoxazol-3-ol
|
Maybridge_Ro3_Fragment_02_G05 |
Simulation_1 |
600.01 |
Download |
| Benzo[b]thien-7-ylmethanol
|
Maybridge_Ro3_Fragment_03_B03 |
Simulation_1 |
600.01 |
Download |
| Benzyloxyacetic acid
|
Maybridge_Ro3_Fragment_04_B08 |
Simulation_1 |
600.01 |
Download |
| [1-Benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol
|
Maybridge_Ro3_Fragment_05_A08 |
Simulation_1 |
600.01 |
Download |
| 2-(Benzylthio)propanoic acid
|
Maybridge_Ro3_Fragment_05_E02 |
Simulation_1 |
600.01 |
Download |
| 2,1,3-Benzoxadiazole
|
Maybridge_Ro3_Fragment_05_G10 |
Simulation_1 |
600.01 |
Download |
| (2-Butyl-5-chloro-1H-imidazol-4-yl)methanol
|
Maybridge_Ro3_Fragment_05_H06 |
Simulation_1 |
600.01 |
Download |
| Butadiene sulfone
|
Maybridge_Ro3_Fragment_06_B03 |
Simulation_1 |
600.01 |
Download |
| 4-Benzoylpyridine
|
Maybridge_Ro3_Fragment_06_B07 |
Simulation_1 |
600.01 |
Download |
| Benzenesulfonamide
|
Maybridge_Ro3_Fragment_06_C06 |
Simulation_1 |
600.01 |
Download |
| 1,3-Benzodioxole-5-carbonitrile
|
Maybridge_Ro3_Fragment_06_H08 |
Simulation_1 |
600.01 |
Download |
| 2-Benzo[b]thiophen-3-ylacetic acid
|
Maybridge_Ro3_Fragment_07_F04 |
Simulation_1 |
600.01 |
Download |
| Butyl 4-hydroxybenzoate
|
Maybridge_Ro3_Fragment_07_G04 |
Simulation_1 |
600.01 |
Download |
| Benzene-1-carbothioamide
|
Maybridge_Ro3_Fragment_08_B05 |
Simulation_1 |
600.01 |
Download |
| (S)-4-BENZYL-2-OXAZOLIDINONE
|
Maybridge_Ro3_Fragment_08_D04 |
Simulation_1 |
600.01 |
Download |
| [3,5-Bis(methylsulfanyl)-4-isothiazolyl]methanol
|
Maybridge_Ro3_Fragment_09_E10 |
Simulation_1 |
600.01 |
Download |
| 4-(Benzyloxy)benzoic acid
|
Maybridge_Ro3_Fragment_09_H07 |
Simulation_1 |
600.01 |
Download |
| Benzo[b]thiophen-2-yl(morpholino)methanone
|
Maybridge_Ro3_Fragment_10_E10 |
Simulation_1 |
600.01 |
Download |
| 3-(1,3-Benzothiazol-2-ylthio)pentane-2,4-dione
|
Maybridge_Ro3_Fragment_11_A03 |
Simulation_1 |
600.01 |
Download |
| 2-(1,3-Benzoxazol-2-ylsulfanyl)acetonitrile
|
Maybridge_Ro3_Fragment_12_B03 |
Simulation_1 |
600.01 |
Download |
| 1,3-Benzothiazol-2-ylmethanol
|
Maybridge_Ro3_Fragment_12_F05 |
Simulation_1 |
600.01 |
Download |
| 1-Benzyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
|
Maybridge_Ro3_Fragment_12_H10 |
Simulation_1 |
600.01 |
Download |
| 1-Benzofuran-5-amine
|
Maybridge_Ro3_Fragment_13_G02 |
Simulation_1 |
600.01 |
Download |
| Cadaverine
|
BMRB bmse000072 |
Simulation_1 |
499.84 |
Download |
| Citrate
|
BMRB bmse000076 |
Simulation_1 |
499.84 |
Download |
| Coumarin
|
BMRB bmse000077 |
Simulation_1 |
400.13 |
Download |
| Creatine
|
BMRB bmse000078 |
Simulation_1 |
499.84 |
Download |
| Creatine-phosphate
|
BMRB bmse000079 |
Simulation_1 |
400.13 |
Download |
| Creatinine
|
BMRB bmse000155 |
Simulation_1 |
499.84 |
Download |
| Cytosine
|
BMRB bmse000180 |
Simulation_1 |
400.13 |
Download |
| Cytidine
|
BMRB bmse000190 |
Simulation_1 |
499.84 |
Download |
| Citraconic-acid
|
BMRB bmse000199 |
Simulation_1 |
400.13 |
Download |
| Caffeine
|
BMRB bmse000206 |
Simulation_1 |
400.13 |
Download |
| Choline
|
BMRB bmse000285 |
Simulation_1 |
499.84 |
Download |
| Cytidine-5-monophosphate
|
BMRB bmse000311 |
Simulation_1 |
499.84 |
Download |
| Chlorohydroquinone
|
BMRB bmse000358 |
Simulation_1 |
499.84 |
Download |
| 2-Chloroethanol
|
BMRB bmse000360 |
Simulation_1 |
400.13 |
Download |
| Chloroacetic-acid
|
BMRB bmse000367 |
Simulation_1 |
499.84 |
Download |
| Cis-3-chloroacrylic-acid
|
BMRB bmse000368 |
Simulation_1 |
400.13 |
Download |
| Cis-3-hexen-1-ol
|
BMRB bmse000369 |
Simulation_1 |
499.84 |
Download |
| Cysteamine
|
BMRB bmse000388 |
Simulation_1 |
499.84 |
Download |
| 4-Chlorophenylacetate
|
BMRB bmse000395 |
Simulation_1 |
499.84 |
Download |
| Cyclohexanone
|
BMRB bmse000405 |
Simulation_1 |
499.84 |
Download |
| 4-Chlorocatechol
|
BMRB bmse000420 |
Simulation_1 |
499.84 |
Download |
| 4-Chlorobenzoic-acid
|
BMRB bmse000438 |
Simulation_1 |
499.84 |
Download |
| 4-Chlorophenol
|
BMRB bmse000461 |
Simulation_1 |
499.84 |
Download |
| Cuminaldehyde
|
BMRB bmse000508 |
Simulation_1 |
400.13 |
Download |
| 1-4-Cyclohexanedione
|
BMRB bmse000513 |
Simulation_1 |
499.84 |
Download |
| 4-Chloroacetophenone
|
BMRB bmse000518 |
Simulation_1 |
499.84 |
Download |
| Cyclohexane
|
BMRB bmse000545 |
Simulation_1 |
499.84 |
Download |
| Coniferaldehyde
|
BMRB bmse000601 |
Simulation_1 |
499.84 |
Download |
| Coniferyl-alcohol
|
BMRB bmse000602 |
Simulation_1 |
499.84 |
Download |
| Cyclohexanecarboxylic acid
|
BMRB bmse000603 |
Simulation_1 |
400.13 |
Download |
| 4-Chlorophenoxyacetic acid
|
BMRB bmse000635 |
Simulation_1 |
499.84 |
Download |
| Cis-1-2-dihydronaphthalene-1-2-diol
|
BMRB bmse000655 |
Simulation_1 |
499.84 |
Download |
| Carbazole
|
BMRB bmse000666 |
Simulation_1 |
499.84 |
Download |
| Cis-aconitic-acid
|
BMRB bmse000705 |
Simulation_1 |
499.84 |
Download |
| Cis-1-3-dichloropropene
|
BMRB bmse000718 |
Simulation_1 |
499.84 |
Download |
| Cacodylic-acid
|
BMRB bmse000786 |
Simulation_1 |
499.84 |
Download |
| 3-Carboxypropyl-trimethyl-ammonium
|
BMRB bmse000794 |
Simulation_1 |
499.84 |
Download |
| Cis-1,2-Cyclohexanediol
|
BMRB bmse000837 |
Simulation_1 |
499.84 |
Download |
| Creatine
|
BMRB bmse000950 |
Simulation_1 |
600.13 |
Download |
| Choline
|
BMRB bmse000953 |
Simulation_1 |
600.13 |
Download |
| Cytidine
|
BMRB bmse000969 |
Simulation_1 |
600.13 |
Download |
| 4-Chlorobenzaldehyde
|
BMRB bmse001029 |
Simulation_1 |
400.13 |
Download |
| 5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL
|
BMRB bmse001192 |
Simulation_1 |
499.84 |
Download |
| 3-Chloro-4-fluorobenzamide
|
Maybridge_Ro3_Fragment_01_D02 |
Simulation_1 |
600.01 |
Download |
| 2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid
|
Maybridge_Ro3_Fragment_02_E05 |
Simulation_1 |
600.01 |
Download |
| 6-Chloroimidazo[2,1-b][1,3]thiazole
|
Maybridge_Ro3_Fragment_02_G08 |
Simulation_1 |
600.01 |
Download |
| 3-(4-Chlorophenyl)-1H-pyrazol-5-amine
|
Maybridge_Ro3_Fragment_02_H02 |
Simulation_1 |
600.01 |
Download |
| 6-Chlorobenzo[d]isoxazol-3-ol
|
Maybridge_Ro3_Fragment_02_H05 |
Simulation_1 |
600.01 |
Download |
| (2-Chloro-4-pyridinyl)methanol
|
Maybridge_Ro3_Fragment_03_C06 |
Simulation_1 |
600.01 |
Download |
| 4-Chlorothieno[2,3-d]pyrimidine
|
Maybridge_Ro3_Fragment_03_F10 |
Simulation_1 |
600.01 |
Download |
| 3-(4-Chlorophenyl)propan-1-ol
|
Maybridge_Ro3_Fragment_03_G10 |
Simulation_1 |
600.01 |
Download |
| 3-Chloro-4-(pyridin-3-yl)-1,2,5-thiadiazole
|
Maybridge_Ro3_Fragment_03_G11 |
Simulation_1 |
600.01 |
Download |
| 2-Cyano-5-fluoropyridine
|
Maybridge_Ro3_Fragment_03_H10 |
Simulation_1 |
600.01 |
Download |
| 4-Chlorofuro[3,2-c]pyridine
|
Maybridge_Ro3_Fragment_04_B02 |
Simulation_1 |
600.01 |
Download |
| 6-Chloro-4-pyrimidinol
|
Maybridge_Ro3_Fragment_04_C02 |
Simulation_1 |
600.01 |
Download |
| [3-Chloro-5-(trifluoromethyl)-2-pyridyl]methylamine hydrochloride
|
Maybridge_Ro3_Fragment_04_C04 |
Simulation_1 |
600.01 |
Download |
| 2-Chloro-6-methylisonicotinic acid
|
Maybridge_Ro3_Fragment_04_D03 |
Simulation_1 |
600.01 |
Download |
| 3-Chloro-5-(trifluoromethyl)pyridine-2-carbothioamide
|
Maybridge_Ro3_Fragment_04_D06 |
Simulation_1 |
600.01 |
Download |
| 2-Chloro-4-(2-furyl)pyrimidine
|
Maybridge_Ro3_Fragment_04_E02 |
Simulation_1 |
600.01 |
Download |
| 3-Chlorothieno[2,3-b]thiophene-2-carboxylic acid
|
Maybridge_Ro3_Fragment_04_F02 |
Simulation_1 |
600.01 |
Download |
| 3-Chloro-6-methylpyridazine
|
Maybridge_Ro3_Fragment_04_F06 |
Simulation_1 |
600.01 |
Download |
| 5-Chloropyridazin-3(2H)-one
|
Maybridge_Ro3_Fragment_04_H02 |
Simulation_1 |
600.01 |
Download |
| 3-Chloro-4-methoxyaniline
|
Maybridge_Ro3_Fragment_05_A02 |
Simulation_1 |
600.01 |
Download |
| 1-(3-Chloro-2-hydroxyphenyl)ethan-1-one
|
Maybridge_Ro3_Fragment_05_B11 |
Simulation_1 |
600.01 |
Download |
| 5-Chloropyridin-3-ol
|
Maybridge_Ro3_Fragment_05_C10 |
Simulation_1 |
600.01 |
Download |
| Cis-1,2,3,6-Tetrahydrophthalimide
|
Maybridge_Ro3_Fragment_05_D04 |
Simulation_1 |
600.01 |
Download |
| 2-(4-Chloro-2-fluorophenyl)acetonitrile
|
Maybridge_Ro3_Fragment_05_D07 |
Simulation_1 |
600.01 |
Download |
| 3-Chloro-5-(trifluoromethyl)benzene-1,2-diamine
|
Maybridge_Ro3_Fragment_05_E09 |
Simulation_1 |
600.01 |
Download |
| 2-Cyanophenol
|
Maybridge_Ro3_Fragment_05_F04 |
Simulation_1 |
600.01 |
Download |
| 2-Chloronicotinic acid
|
Maybridge_Ro3_Fragment_05_F10 |
Simulation_1 |
600.01 |
Download |
| 2-Chloro-4-(trifluoromethyl)aniline
|
Maybridge_Ro3_Fragment_05_G05 |
Simulation_1 |
600.01 |
Download |
| 3-Cyanopyridine
|
Maybridge_Ro3_Fragment_06_C03 |
Simulation_1 |
600.01 |
Download |
| 2-Chlorophenethyl alcohol
|
Maybridge_Ro3_Fragment_06_D08 |
Simulation_1 |
600.01 |
Download |
| 5-Chlorothiophene-2-sulfonamide
|
Maybridge_Ro3_Fragment_07_A03 |
Simulation_1 |
600.01 |
Download |
| 3-Chlorophenoxyacetic acid
|
Maybridge_Ro3_Fragment_07_B04 |
Simulation_1 |
600.01 |
Download |
| Chroman-6-carboxylic acid
|
Maybridge_Ro3_Fragment_07_F10 |
Simulation_1 |
600.01 |
Download |
| (S)-1-(4-Chlorophenyl)ethylamine
|
Maybridge_Ro3_Fragment_07_G03 |
Simulation_1 |
600.01 |
Download |
| 2-(4-Chlorophenoxy)-2-methylpropanoic acid
|
Maybridge_Ro3_Fragment_07_G09 |
Simulation_1 |
600.01 |
Download |
| 3-Cyanochromone
|
Maybridge_Ro3_Fragment_07_H03 |
Simulation_1 |
600.01 |
Download |
| (3-Chlorophenyl)methanol
|
Maybridge_Ro3_Fragment_07_H11 |
Simulation_1 |
600.01 |
Download |
| 3-Chloro-4-fluorophenol
|
Maybridge_Ro3_Fragment_08_A04 |
Simulation_1 |
600.01 |
Download |
| (2-Chloro-3,4-dimethoxyphenyl)methanol
|
Maybridge_Ro3_Fragment_08_C05 |
Simulation_1 |
600.01 |
Download |
| 2-Chloro-1,4-dimethoxybenzene
|
Maybridge_Ro3_Fragment_08_C08 |
Simulation_1 |
600.01 |
Download |
| 6-Chlorooxindole
|
Maybridge_Ro3_Fragment_08_F07 |
Simulation_1 |
600.01 |
Download |
| 2-(2-Chloro-6-fluorobenzylthio)-4,5-dihydro-1H-imidazole hydrobromide
|
Maybridge_Ro3_Fragment_08_F11 |
Simulation_1 |
600.01 |
Download |
| 3-Chloro-5-(trifluoromethyl)pyridin-2-amine
|
Maybridge_Ro3_Fragment_08_H09 |
Simulation_1 |
600.01 |
Download |
| Cyclopentan-1-one oxime
|
Maybridge_Ro3_Fragment_08_H10 |
Simulation_1 |
600.01 |
Download |
| 5-(4-Chlorophenyl)-2-furoic acid
|
Maybridge_Ro3_Fragment_09_A05 |
Simulation_1 |
600.01 |
Download |
| 4-Chloro-1H-indazol-3-amine
|
Maybridge_Ro3_Fragment_09_A06 |
Simulation_1 |
600.01 |
Download |
| 1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one
|
Maybridge_Ro3_Fragment_09_C04 |
Simulation_1 |
600.01 |
Download |
| 3-Chloro-4-(isopropylsulfonyl)thiophene
|
Maybridge_Ro3_Fragment_09_D07 |
Simulation_1 |
600.01 |
Download |
| 3-(5-Chloro-2-thienyl)-1-methyl-4,5-dihydro-1H-pyrazole
|
Maybridge_Ro3_Fragment_09_D08 |
Simulation_1 |
600.01 |
Download |
| 6-(4-Chlorophenyl)-2,3,4,5-tetrahydropyridazin-3-one
|
Maybridge_Ro3_Fragment_09_F03 |
Simulation_1 |
600.01 |
Download |
| 6-Chloro-2,3-dimethylquinoxaline
|
Maybridge_Ro3_Fragment_09_G08 |
Simulation_1 |
600.01 |
Download |
| 2-(4-Chlorobenzyl)-6-methyl-2,3-dihydropyridazin-3-one
|
Maybridge_Ro3_Fragment_09_H03 |
Simulation_1 |
600.01 |
Download |
| 6-Chloro-5-methyl-1H-1,2,3-benzotriazole
|
Maybridge_Ro3_Fragment_09_H08 |
Simulation_1 |
600.01 |
Download |
| 3-Chloroaniline hydrochloride
|
Maybridge_Ro3_Fragment_10_A10 |
Simulation_1 |
600.01 |
Download |
| 2-[(2-Chlorobenzyl)thio]-4,5-dihydro-1H-imidazol-3-ium hydrochloride
|
Maybridge_Ro3_Fragment_10_B03 |
Simulation_1 |
600.01 |
Download |
| 1-Chloro-3-(methylsulfinyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one
|
Maybridge_Ro3_Fragment_10_D03 |
Simulation_1 |
600.01 |
Download |
| 4-Chloro-3-(isopropylsulfonyl)-2-(methylthio)thiophene
|
Maybridge_Ro3_Fragment_10_D11 |
Simulation_1 |
600.01 |
Download |
| 2-Chloro-4-(trifluoromethyl)benzene-1-sulfonamide
|
Maybridge_Ro3_Fragment_10_E03 |
Simulation_1 |
600.01 |
Download |
| 2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one
|
Maybridge_Ro3_Fragment_10_E05 |
Simulation_1 |
600.01 |
Download |
| 2-(4-Chloro-2-methylphenoxy)pyridin-3-amine
|
Maybridge_Ro3_Fragment_10_F10 |
Simulation_1 |
600.01 |
Download |
| 3-(4-Chloroanilino)propanoic acid
|
Maybridge_Ro3_Fragment_10_H06 |
Simulation_1 |
600.01 |
Download |
| 2-Chloro-6-(1H-imidazol-1-yl)benzonitrile
|
Maybridge_Ro3_Fragment_11_B04 |
Simulation_1 |
600.01 |
Download |
| 2-(2-Chlorophenoxy)ethylamine
|
Maybridge_Ro3_Fragment_11_C08 |
Simulation_1 |
600.01 |
Download |
| 4-Chloro-2-(trifluoromethoxy)aniline
|
Maybridge_Ro3_Fragment_11_C09 |
Simulation_1 |
600.01 |
Download |
| 6-Chloro-4-(trifluoromethyl)pyridine-2-carboxylic acid
|
Maybridge_Ro3_Fragment_11_D11 |
Simulation_1 |
600.01 |
Download |
| 3-(4-Chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole hydrobromide
|
Maybridge_Ro3_Fragment_11_F03 |
Simulation_1 |
600.01 |
Download |
| 4-Chlorobenzonitrile
|
Maybridge_Ro3_Fragment_11_G11 |
Simulation_1 |
600.01 |
Download |
| 5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile
|
Maybridge_Ro3_Fragment_12_B05 |
Simulation_1 |
600.01 |
Download |
| 2-(3-Chloro-4-fluorophenyl)-2,3-dihydroisothiazol-3-one
|
Maybridge_Ro3_Fragment_12_C03 |
Simulation_1 |
600.01 |
Download |
| 5-[(2-Chloro-6-fluorobenzyl)thio]-1,3,4-thiadiazol-2-amine
|
Maybridge_Ro3_Fragment_12_C07 |
Simulation_1 |
600.01 |
Download |
| 4-Cyano-5-methylsulfanylthiophene-2-carboxylic acid
|
Maybridge_Ro3_Fragment_12_E02 |
Simulation_1 |
600.01 |
Download |
| 3-[(4-Chlorophenyl)sulfonyl]propanenitrile
|
Maybridge_Ro3_Fragment_12_G09 |
Simulation_1 |
600.01 |
Download |
| 2-(4-Chlorobenzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride
|
Maybridge_Ro3_Fragment_12_G10 |
Simulation_1 |
600.01 |
Download |
| 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide
|
Maybridge_Ro3_Fragment_12_H05 |
Simulation_1 |
600.01 |
Download |
| 2-(2-Chlorobenzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride
|
Maybridge_Ro3_Fragment_12_H11 |
Simulation_1 |
600.01 |
Download |
| 2-[(4-Chlorophenyl)thio]acetic acid
|
Maybridge_Ro3_Fragment_13_G06 |
Simulation_1 |
600.01 |
Download |
| 1-3-Diaminopropane
|
BMRB bmse000001 |
Simulation_1 |
499.84 |
Download |
| Simulation_2 |
600.13 |
Download |
| 2-3-Diphospho-D-glyceric-acid
|
BMRB bmse000002 |
Simulation_1 |
499.84 |
Download |
| 2-Deoxyguanosine
|
BMRB bmse000003 |
Simulation_1 |
400.13 |
Download |
| D-3-phosphoglyceric-acid
|
BMRB bmse000007 |
Simulation_1 |
400.13 |
Download |
| D-ornithine
|
BMRB bmse000019 |
Simulation_1 |
499.84 |
Download |
| D-threo-isocitric-acid
|
BMRB bmse000025 |
Simulation_1 |
400.13 |
Download |
| D-carnitine
|
BMRB bmse000074 |
Simulation_1 |
499.84 |
Download |
| Dehydro-proline
|
BMRB bmse000080 |
Simulation_1 |
400.13 |
Download |
| Dihydroxyacetone
|
BMRB bmse000144 |
Simulation_1 |
400.13 |
Download |
| D-xylonate-cadmium
|
BMRB bmse000166 |
Simulation_1 |
400.13 |
Download |
| DL-alpha-glycerol-phosphate
|
BMRB bmse000193 |
Simulation_1 |
400.13 |
Download |
| D-Citrulline
|
BMRB bmse000209 |
Simulation_1 |
400.13 |
Download |
| Simulation_2 |
899.75 |
Download |
| DL-serine
|
BMRB bmse000222 |
Simulation_1 |
400.13 |
Download |
| D-L-glyceraldehyde
|
BMRB bmse000225 |
Simulation_1 |
400.13 |
Download |
| D-glucono-1-5-lactone
|
BMRB bmse000230 |
Simulation_1 |
400.13 |
Download |
| D-alanine
|
BMRB bmse000236 |
Simulation_1 |
400.13 |
Download |
| D-saccharate
|
BMRB bmse000239 |
Simulation_1 |
400.13 |
Download |
| 1-3-Dimethylurea
|
BMRB bmse000248 |
Simulation_1 |
400.13 |
Download |
| D-Aspartate
|
BMRB bmse000273 |
Simulation_1 |
400.13 |
Download |
| DL-Alanine
|
BMRB bmse000282 |
Simulation_1 |
499.84 |
Download |
| 2-Deoxyuridine
|
BMRB bmse000320 |
Simulation_1 |
499.84 |
Download |
| 3-4-Dihydroxy-L-phenylalanine
|
BMRB bmse000322 |
Simulation_1 |
499.84 |
Download |
| 2-Deoxycytidine
|
BMRB bmse000323 |
Simulation_1 |
499.84 |
Download |
| 2-5-Dihydroxybenzoic-acid
|
BMRB bmse000326 |
Simulation_1 |
499.84 |
Download |
| 3-5-Diiodo-L-tyrosine
|
BMRB bmse000327 |
Simulation_1 |
499.84 |
Download |
| 3-4-Dihydroxybenzoic-acid
|
BMRB bmse000328 |
Simulation_1 |
499.84 |
Download |
| 3-4-Dihydroxyphenylacetic-acid
|
BMRB bmse000329 |
Simulation_1 |
499.84 |
Download |
| 3-5-Dichlorocatechol
|
BMRB bmse000336 |
Simulation_1 |
499.84 |
Download |
| DL-3-aminoisobutyric acid
|
BMRB bmse000348 |
Simulation_1 |
499.84 |
Download |
| DL-threo-beta-Methylaspartate
|
BMRB bmse000352 |
Simulation_1 |
499.84 |
Download |
| D-3-Phenyllactic acid
|
BMRB bmse000359 |
Simulation_1 |
499.84 |
Download |
| Diethanolamine
|
BMRB bmse000371 |
Simulation_1 |
499.84 |
Download |
| DL-2-Aminobutyric-acid
|
BMRB bmse000390 |
Simulation_1 |
499.84 |
Download |
| Dl-Indole-3-lactic-acid
|
BMRB bmse000409 |
Simulation_1 |
499.84 |
Download |
| Dihydrocoumarin
|
BMRB bmse000412 |
Simulation_1 |
499.84 |
Download |
| Dihydrouracil
|
BMRB bmse000425 |
Simulation_1 |
499.84 |
Download |
| DL-2-Aminoadipic acid
|
BMRB bmse000429 |
Simulation_1 |
499.84 |
Download |
| DL-homocysteine
|
BMRB bmse000430 |
Simulation_1 |
499.84 |
Download |
| D-Glucosaminic-acid
|
BMRB bmse000440 |
Simulation_1 |
499.84 |
Download |
| D-Panthenol
|
BMRB bmse000445 |
Simulation_1 |
499.84 |
Download |
| D-Methionine
|
BMRB bmse000450 |
Simulation_1 |
499.84 |
Download |
| DL-beta-leucine
|
BMRB bmse000466 |
Simulation_1 |
499.84 |
Download |
| 4-4-Dichlorobenzophenone
|
BMRB bmse000517 |
Simulation_1 |
499.84 |
Download |
| Dibenzofuran
|
BMRB bmse000548 |
Simulation_1 |
400.13 |
Download |
| 1-2-Dichloroethane
|
BMRB bmse000568 |
Simulation_1 |
400.13 |
Download |
| Dihydroconiferyl-alcohol
|
BMRB bmse000585 |
Simulation_1 |
499.84 |
Download |
| 4-4-DDT
|
BMRB bmse000634 |
Simulation_1 |
499.84 |
Download |
| 2-5-Dichlorohydroquinone
|
BMRB bmse000661 |
Simulation_1 |
499.84 |
Download |
| 2-4-Dichlorobenzoic-acid
|
BMRB bmse000672 |
Simulation_1 |
499.84 |
Download |
| 2-5-Dichlorophenol
|
BMRB bmse000673 |
Simulation_1 |
499.84 |
Download |
| 2-6-Dichlorophenol
|
BMRB bmse000674 |
Simulation_1 |
499.84 |
Download |
| 3-4-Dihydroxyhydrocinnamate
|
BMRB bmse000680 |
Simulation_1 |
499.84 |
Download |
| DL-3,4-dihydroxymandelic acid
|
BMRB bmse000684 |
Simulation_1 |
499.84 |
Download |
| 1-4-Dihydroxy-2-naphthoic-acid
|
BMRB bmse000688 |
Simulation_1 |
499.84 |
Download |
| 2-4-Dichlorophenol
|
BMRB bmse000691 |
Simulation_1 |
499.84 |
Download |
| 2-2-Dimethylsuccinic-acid
|
BMRB bmse000730 |
Simulation_1 |
499.84 |
Download |
| 3-Deazauridine
|
BMRB bmse000731 |
Simulation_1 |
499.84 |
Download |
| D-pinitol
|
BMRB bmse000740 |
Simulation_1 |
499.84 |
Download |
| DSS
|
BMRB bmse000795 |
Simulation_1 |
499.84 |
Download |
| DGMP
|
BMRB bmse000824 |
Simulation_1 |
499.84 |
Download |
| DL-3-aminoisobutyric-acid
|
BMRB bmse000828 |
Simulation_1 |
499.84 |
Download |
| 4-4-DDD
|
BMRB bmse000845 |
Simulation_1 |
499.84 |
Download |
| 1,3-Diaminopropane
|
BMRB bmse000872 |
Simulation_1 |
600.13 |
Download |
| 2'-Deoxyguanosine 5'-monophosphate
|
BMRB bmse000879 |
Simulation_1 |
600.13 |
Download |
| 5-6-Dimethylbenzimidazole
|
BMRB bmse000881 |
Simulation_1 |
600.13 |
Download |
| D-Ornithine
|
BMRB bmse000897 |
Simulation_1 |
600.13 |
Download |
| Dopamine
|
BMRB bmse000909 |
Simulation_1 |
499.84 |
Download |
| Dopamine
|
BMRB bmse000933 |
Simulation_1 |
499.84 |
Download |
| 2-Deoxyinosine
|
BMRB bmse000942 |
Simulation_1 |
499.84 |
Download |
| D-Carnitine
|
BMRB bmse000949 |
Simulation_1 |
600.13 |
Download |
| 2-[2,3-Di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
|
BMRB bmse001115 |
Simulation_1 |
499.84 |
Download |
| 5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
|
BMRB bmse001121 |
Simulation_1 |
499.84 |
Download |
| 5,7-Dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
BMRB bmse001124 |
Simulation_1 |
499.84 |
Download |
| 2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
|
BMRB bmse001147 |
Simulation_1 |
499.84 |
Download |
| 4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
|
BMRB bmse001157 |
Simulation_1 |
499.84 |
Download |
| 5,7-Dihydroxy-3-(4-methoxyphenyl)chromen-4-one
|
BMRB bmse001173 |
Simulation_1 |
499.84 |
Download |
| 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
|
BMRB bmse001176 |
Simulation_1 |
499.84 |
Download |
| Desaminotyrosine
|
BMRB bmse001295 |
Simulation_1 |
499.84 |
Download |
| 3,5-Dimethylpyrazin-2-amine
|
Maybridge_Ro3_Fragment_01_A03 |
Simulation_1 |
600.01 |
Download |
| 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-one
|
Maybridge_Ro3_Fragment_01_B04 |
Simulation_1 |
600.01 |
Download |
| (2,5-Dimethyl-1,3-oxazol-4-yl)methanol
|
Maybridge_Ro3_Fragment_01_D07 |
Simulation_1 |
600.01 |
Download |
| 1,3-Dimethoxy-2-(methylthio)benzene
|
Maybridge_Ro3_Fragment_01_E11 |
Simulation_1 |
600.01 |
Download |
| 3,4-Dihydro-2H-pyrido[3,2-b][1,4]oxazine
|
Maybridge_Ro3_Fragment_01_F10 |
Simulation_1 |
600.01 |
Download |
| 4-(3,4-Difluorophenyl)-1,3-thiazol-2-amine
|
Maybridge_Ro3_Fragment_01_G02 |
Simulation_1 |
600.01 |
Download |
| 1,3-Dimethylimidazolidin-2-one
|
Maybridge_Ro3_Fragment_02_A07 |
Simulation_1 |
600.01 |
Download |
| (2,6-Dichloro-4-pyridyl)methanol
|
Maybridge_Ro3_Fragment_02_C02 |
Simulation_1 |
600.01 |
Download |
| 2,2-Dimethyl-N-(4-pyridinyl)propanamide
|
Maybridge_Ro3_Fragment_02_E03 |
Simulation_1 |
600.01 |
Download |
| 4,5-Dihydro-1,3-benzodioxine-6-amine
|
Maybridge_Ro3_Fragment_02_H07 |
Simulation_1 |
600.01 |
Download |
| {2-[3-(Dimethylamino)propoxy]phenyl}methanol
|
Maybridge_Ro3_Fragment_03_A07 |
Simulation_1 |
600.01 |
Download |
| 3,3-Dimethylpiperidine hydrochloride
|
Maybridge_Ro3_Fragment_03_F11 |
Simulation_1 |
600.01 |
Download |
| (2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)methylamine
|
Maybridge_Ro3_Fragment_03_H02 |
Simulation_1 |
600.01 |
Download |
| DL-Pantolactone
|
Maybridge_Ro3_Fragment_04_C08 |
Simulation_1 |
600.01 |
Download |
| 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile
|
Maybridge_Ro3_Fragment_04_C10 |
Simulation_1 |
600.01 |
Download |
| 2-(2,5-Dimethyl-1,3-thiazol-4-yl)acetic acid
|
Maybridge_Ro3_Fragment_04_E04 |
Simulation_1 |
600.01 |
Download |
| 1,2-Dihydrophthalazin-1-one
|
Maybridge_Ro3_Fragment_04_E11 |
Simulation_1 |
600.01 |
Download |
| 2,6-Dichloropyridin-3-amine
|
Maybridge_Ro3_Fragment_04_F03 |
Simulation_1 |
600.01 |
Download |
| 1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine
|
Maybridge_Ro3_Fragment_04_G10 |
Simulation_1 |
600.01 |
Download |
| 2-(3,5-Dichlorophenoxy)acetonitrile
|
Maybridge_Ro3_Fragment_05_A03 |
Simulation_1 |
600.01 |
Download |
| 3,4-Dihydro-2(1H)-quinolinone
|
Maybridge_Ro3_Fragment_05_A04 |
Simulation_1 |
600.01 |
Download |
| 1-(2,5-Dichloro-3-thienyl)ethan-1-one
|
Maybridge_Ro3_Fragment_05_A09 |
Simulation_1 |
600.01 |
Download |
| 4,5-Dichloro-2-methyl-3(2H)-pyridazinone
|
Maybridge_Ro3_Fragment_05_B04 |
Simulation_1 |
600.01 |
Download |
| 2,4-Dimethyl-1,3-thiazole-5-carboxylic acid
|
Maybridge_Ro3_Fragment_05_B08 |
Simulation_1 |
600.01 |
Download |
| 2-[(2,4-Difluorophenyl)thio]acetonitrile
|
Maybridge_Ro3_Fragment_05_E11 |
Simulation_1 |
600.01 |
Download |
| 4-[3-(Dimethylamino)propoxy]benzonitrile
|
Maybridge_Ro3_Fragment_06_A08 |
Simulation_1 |
600.01 |
Download |
| 2,5-Dimethylbenzothiazole
|
Maybridge_Ro3_Fragment_06_E06 |
Simulation_1 |
600.01 |
Download |
| 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile
|
Maybridge_Ro3_Fragment_06_G11 |
Simulation_1 |
600.01 |
Download |
| 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzylamine
|
Maybridge_Ro3_Fragment_07_A08 |
Simulation_1 |
600.01 |
Download |
| 3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-methylpyridine
|
Maybridge_Ro3_Fragment_07_B05 |
Simulation_1 |
600.01 |
Download |
| 2,2-Dimethyl-1-(2-thienyl)propan-1-one
|
Maybridge_Ro3_Fragment_07_B06 |
Simulation_1 |
600.01 |
Download |
| DL-sec-Phenethylalcohol
|
Maybridge_Ro3_Fragment_07_G02 |
Simulation_1 |
600.01 |
Download |
| 4-[2-(Dimethylamino)ethoxy]benzylamine
|
Maybridge_Ro3_Fragment_07_G08 |
Simulation_1 |
600.01 |
Download |
| 2,3-Dihydrobenzo[b]furan-5-ylmethylamine hydrochloride
|
Maybridge_Ro3_Fragment_07_H09 |
Simulation_1 |
600.01 |
Download |
| 2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile
|
Maybridge_Ro3_Fragment_08_B02 |
Simulation_1 |
600.01 |
Download |
| 2,4-Difluorobenzenesulfonamide
|
Maybridge_Ro3_Fragment_08_B06 |
Simulation_1 |
600.01 |
Download |
| 2-{[3-(Dimethylamino)propyl]amino}-6-fluorobenzonitrile
|
Maybridge_Ro3_Fragment_08_D10 |
Simulation_1 |
600.01 |
Download |
| 2,6-Dichloronicotinic acid
|
Maybridge_Ro3_Fragment_08_E07 |
Simulation_1 |
600.01 |
Download |
| 3,5-Dichloroaniline
|
Maybridge_Ro3_Fragment_08_F03 |
Simulation_1 |
600.01 |
Download |
| (3,5-Dichlorophenyl)methanol
|
Maybridge_Ro3_Fragment_08_G02 |
Simulation_1 |
600.01 |
Download |
| 3,4-Dimethylbenzamide
|
Maybridge_Ro3_Fragment_08_G04 |
Simulation_1 |
600.01 |
Download |
| 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
|
Maybridge_Ro3_Fragment_08_G07 |
Simulation_1 |
600.01 |
Download |
| {3-[3-(Dimethylamino)propoxy]phenyl}methanol
|
Maybridge_Ro3_Fragment_08_G08 |
Simulation_1 |
600.01 |
Download |
| 1,5-Dimethyl-1H-pyrrole-2-carbonitrile
|
Maybridge_Ro3_Fragment_08_H11 |
Simulation_1 |
600.01 |
Download |
| 2-[(3,4-Dichlorophenyl)sulfonyl]acetonitrile
|
Maybridge_Ro3_Fragment_09_C07 |
Simulation_1 |
600.01 |
Download |
| 2,4-Di(3-pyridyl)-1,3-thiazole
|
Maybridge_Ro3_Fragment_09_C09 |
Simulation_1 |
600.01 |
Download |
| 1,3-Dihydrobenzo[c]isothiazol-3-one
|
Maybridge_Ro3_Fragment_09_D03 |
Simulation_1 |
600.01 |
Download |
| 5,5-Dimethyl-1,3-thiazolane-4-carboxylic acid
|
Maybridge_Ro3_Fragment_09_F08 |
Simulation_1 |
600.01 |
Download |
| 4-(Dimethylamino)-3,5-difluorobenzamide
|
Maybridge_Ro3_Fragment_09_H05 |
Simulation_1 |
600.01 |
Download |
| 3,4-Dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol
|
Maybridge_Ro3_Fragment_09_H10 |
Simulation_1 |
600.01 |
Download |
| 1-(3,4-Difluorophenyl)ethan-1-one
|
Maybridge_Ro3_Fragment_10_A08 |
Simulation_1 |
600.01 |
Download |
| 2,3-Dimethylbenzamide
|
Maybridge_Ro3_Fragment_10_A09 |
Simulation_1 |
600.01 |
Download |
| 6,8-Difluoro-2-methylquinolin-4-ol
|
Maybridge_Ro3_Fragment_10_B06 |
Simulation_1 |
600.01 |
Download |
| 2,7-Dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
|
Maybridge_Ro3_Fragment_10_C11 |
Simulation_1 |
600.01 |
Download |
| 1,4-Dihydrothieno[3,2-d]pyrimidin-4-one
|
Maybridge_Ro3_Fragment_10_D04 |
Simulation_1 |
600.01 |
Download |
| 3,5-Difluoroaniline
|
Maybridge_Ro3_Fragment_10_F08 |
Simulation_1 |
600.01 |
Download |
| 3-(Dimethylamino)-5-(trifluoromethyl)pyridine-2-carbothioamide
|
Maybridge_Ro3_Fragment_10_G05 |
Simulation_1 |
600.01 |
Download |
| 3,5-Dichloro-1,2-dihydropyridin-2-one
|
Maybridge_Ro3_Fragment_11_G05 |
Simulation_1 |
600.01 |
Download |
| 3,4-Dihydro-2H-1,5-benzodioxepin-6-ylmethylamine hydrochloride
|
Maybridge_Ro3_Fragment_11_G08 |
Simulation_1 |
600.01 |
Download |
| 3,4-Dichlorobenzamide
|
Maybridge_Ro3_Fragment_11_G09 |
Simulation_1 |
600.01 |
Download |
| 4-(5,6-Dichloro-1H-benzimidazol-1-yl)butan-1-ol
|
Maybridge_Ro3_Fragment_11_H02 |
Simulation_1 |
600.01 |
Download |
| 2,6-Dimethyl-2,3,4,5-tetrahydropyridazin-3-one
|
Maybridge_Ro3_Fragment_11_H10 |
Simulation_1 |
600.01 |
Download |
| 4-[(Dimethylamino)methyl]-2,6-dimethylphenol hydrochloride
|
Maybridge_Ro3_Fragment_12_B02 |
Simulation_1 |
600.01 |
Download |
| 3-[(1,1-Diethylprop-2-ynyl)amino]thiophene-2-carboxylic acid
|
Maybridge_Ro3_Fragment_12_B04 |
Simulation_1 |
600.01 |
Download |
| 3,4-Dichlorobenzenesulfonamide
|
Maybridge_Ro3_Fragment_12_D05 |
Simulation_1 |
600.01 |
Download |
| 2,5-Dichlorothiophene-3-sulfonamide
|
Maybridge_Ro3_Fragment_12_E05 |
Simulation_1 |
600.01 |
Download |
| 3-(3,5-Dichloro-4-oxo-1,4-dihydropyridin-1-yl)propanenitrile
|
Maybridge_Ro3_Fragment_12_F03 |
Simulation_1 |
600.01 |
Download |
| 6,7-Dihydro-4(5H)-benzofuranone
|
Maybridge_Ro3_Fragment_13_C06 |
Simulation_1 |
600.01 |
Download |
| 3,4-Dihydro-2H-1,4-benzoxazine
|
Maybridge_Ro3_Fragment_13_H02 |
Simulation_1 |
600.01 |
Download |
| 3,5-Dichloropyridazine
|
Maybridge_Ro3_Fragment_13_H03 |
Simulation_1 |
600.01 |
Download |
| Ethacrynic-acid
|
BMRB bmse000134 |
Simulation_1 |
400.13 |
Download |
| Ethanolamine
|
BMRB bmse000276 |
Simulation_1 |
499.84 |
Download |
| Ethanol
|
BMRB bmse000297 |
Simulation_1 |
400.13 |
Download |
| Epinephrine
|
BMRB bmse000316 |
Simulation_1 |
499.84 |
Download |
| Ethanesulfonic-acid
|
BMRB bmse000400 |
Simulation_1 |
499.84 |
Download |
| Ethylmalonic acid
|
BMRB bmse000578 |
Simulation_1 |
499.84 |
Download |
| 4-Ethylphenol
|
BMRB bmse000681 |
Simulation_1 |
499.84 |
Download |
| Epichlorohydrin
|
BMRB bmse000722 |
Simulation_1 |
499.84 |
Download |
| 6-Ethylmercaptopurine
|
BMRB bmse000732 |
Simulation_1 |
499.84 |
Download |
| Ethyl-acetoacetate
|
BMRB bmse000944 |
Simulation_1 |
499.84 |
Download |
| Ethyl-4-aminobutyrate
|
BMRB bmse000973 |
Simulation_1 |
499.84 |
Download |
| Esculetin
|
BMRB bmse000986 |
Simulation_1 |
499.84 |
Download |
| (2E)-3,7-dimethylocta-2,6-dien-1-ol
|
BMRB bmse001125 |
Simulation_1 |
499.84 |
Download |
| 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
|
BMRB bmse001136 |
Simulation_1 |
499.84 |
Download |
| (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
|
BMRB bmse001156 |
Simulation_1 |
499.84 |
Download |
| Ellagic acid
|
BMRB bmse001190 |
Simulation_1 |
499.84 |
Download |
| (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
|
BMRB bmse001197 |
Simulation_1 |
499.84 |
Download |
| 2-Ethyl-4-methyl-1H-imidazole
|
Maybridge_Ro3_Fragment_01_A02 |
Simulation_1 |
600.01 |
Download |
| Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
|
Maybridge_Ro3_Fragment_02_G04 |
Simulation_1 |
600.01 |
Download |
| 1-(3-Ethylphenyl)ethan-1-one
|
Maybridge_Ro3_Fragment_02_G09 |
Simulation_1 |
600.01 |
Download |
| Ethyl 3-(1,3-thiazol-2-yl)benzoate
|
Maybridge_Ro3_Fragment_03_H03 |
Simulation_1 |
600.01 |
Download |
| 4-Ethyl hydrogen 1-methyl-1H-pyrazole-4,5-dicarboxylate
|
Maybridge_Ro3_Fragment_04_C11 |
Simulation_1 |
600.01 |
Download |
| 2-(Ethylthio)nicotinic acid
|
Maybridge_Ro3_Fragment_05_A11 |
Simulation_1 |
600.01 |
Download |
| 5-Ethyl-1,3,4-thiadiazol-2-amine
|
Maybridge_Ro3_Fragment_05_B06 |
Simulation_1 |
600.01 |
Download |
| 1-Ethyl-2-pyrrolidinone
|
Maybridge_Ro3_Fragment_05_H04 |
Simulation_1 |
600.01 |
Download |
| 4-Ethoxy-3-methoxybenzyl alcohol
|
Maybridge_Ro3_Fragment_06_B08 |
Simulation_1 |
600.01 |
Download |
| Ethyl 4-aminobenzoate
|
Maybridge_Ro3_Fragment_06_F06 |
Simulation_1 |
600.01 |
Download |
| Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
|
Maybridge_Ro3_Fragment_07_A02 |
Simulation_1 |
600.01 |
Download |
| 4-Ethoxyphenol
|
Maybridge_Ro3_Fragment_07_A05 |
Simulation_1 |
600.01 |
Download |
| Ethyl 3-chlorophenylacetate
|
Maybridge_Ro3_Fragment_07_E04 |
Simulation_1 |
600.01 |
Download |
| Ethyl phenyl sulfone
|
Maybridge_Ro3_Fragment_07_F02 |
Simulation_1 |
600.01 |
Download |
| 3-Ethylbenzonitrile
|
Maybridge_Ro3_Fragment_08_F09 |
Simulation_1 |
600.01 |
Download |
| 5-(Ethylthio)-3-(trifluoromethyl)-1H-1,2,4-triazole
|
Maybridge_Ro3_Fragment_09_A11 |
Simulation_1 |
600.01 |
Download |
| Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate
|
Maybridge_Ro3_Fragment_09_E07 |
Simulation_1 |
600.01 |
Download |
| 3-Ethyl-6-methyl-2-pyridinol
|
Maybridge_Ro3_Fragment_09_F02 |
Simulation_1 |
600.01 |
Download |
| Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
|
Maybridge_Ro3_Fragment_09_G10 |
Simulation_1 |
600.01 |
Download |
| 5-(Ethylthio)-1,3,4-thiadiazol-2-amine
|
Maybridge_Ro3_Fragment_10_E07 |
Simulation_1 |
600.01 |
Download |
| Ethyl 3-thiopheneacetate
|
Maybridge_Ro3_Fragment_13_B04 |
Simulation_1 |
600.01 |
Download |
| 1-Eth-1-ynyl-4-methoxybenzene
|
Maybridge_Ro3_Fragment_13_E04 |
Simulation_1 |
600.01 |
Download |
| Ethyl 4-methoxyphenylacetate
|
Maybridge_Ro3_Fragment_13_G05 |
Simulation_1 |
600.01 |
Download |
| Ethyl 3-indoleacetate
|
Maybridge_Ro3_Fragment_13_H04 |
Simulation_1 |
600.01 |
Download |
| Fumaric-acid
|
BMRB bmse000083 |
Simulation_1 |
400.13 |
Download |
| Formate
|
BMRB bmse000203 |
Simulation_1 |
400.13 |
Download |
| Formamide
|
BMRB bmse000267 |
Simulation_1 |
400.13 |
Download |
| Folate
|
BMRB bmse000299 |
Simulation_1 |
400.13 |
Download |
| 2-Furoic-acid
|
BMRB bmse000330 |
Simulation_1 |
499.84 |
Download |
| Ferulic-acid
|
BMRB bmse000459 |
Simulation_1 |
499.84 |
Download |
| 9-Fluorenone
|
BMRB bmse000521 |
Simulation_1 |
499.84 |
Download |
| Fluorene
|
BMRB bmse000524 |
Simulation_1 |
499.84 |
Download |
| Ferulic acid
|
BMRB bmse000587 |
Simulation_1 |
499.84 |
Download |
| 2-Furoylglycine
|
BMRB bmse000615 |
Simulation_1 |
499.84 |
Download |
| 3-Furoic-acid
|
BMRB bmse000842 |
Simulation_1 |
499.84 |
Download |
| Formiminoglycine
|
BMRB bmse001134 |
Simulation_1 |
499.84 |
Download |
| 5-(2-Furyl)thiophene-2-carboxylic acid
|
Maybridge_Ro3_Fragment_01_B10 |
Simulation_1 |
600.01 |
Download |
| 4-(2-Furyl)aniline
|
Maybridge_Ro3_Fragment_01_C08 |
Simulation_1 |
600.01 |
Download |
| (6-Fluoro-4H-1,3-benzodioxin-8-yl)methylamine hydrochloride
|
Maybridge_Ro3_Fragment_02_E11 |
Simulation_1 |
600.01 |
Download |
| 4-Fluorobenzonitrile
|
Maybridge_Ro3_Fragment_02_F06 |
Simulation_1 |
600.01 |
Download |
| [3-(2-Furyl)phenyl]methylamine
|
Maybridge_Ro3_Fragment_03_G04 |
Simulation_1 |
600.01 |
Download |
| [2-(2-Furyl)phenyl]methanol
|
Maybridge_Ro3_Fragment_03_H04 |
Simulation_1 |
600.01 |
Download |
| [2-Fluoro-3-(hydroxymethyl)phenyl]methanol
|
Maybridge_Ro3_Fragment_04_B05 |
Simulation_1 |
600.01 |
Download |
| 4-Fluoro-1-benzenecarbothioamide
|
Maybridge_Ro3_Fragment_05_A07 |
Simulation_1 |
600.01 |
Download |
| 2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
|
Maybridge_Ro3_Fragment_05_C11 |
Simulation_1 |
600.01 |
Download |
| 1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one
|
Maybridge_Ro3_Fragment_05_E10 |
Simulation_1 |
600.01 |
Download |
| 4-(4-Fluorophenyl)-4-oxobutanoic acid
|
Maybridge_Ro3_Fragment_05_F09 |
Simulation_1 |
600.01 |
Download |
| 2-[(4-Fluorophenyl)thio]acetonitrile
|
Maybridge_Ro3_Fragment_05_H02 |
Simulation_1 |
600.01 |
Download |
| 4-Fluorophenethyl alcohol
|
Maybridge_Ro3_Fragment_06_A11 |
Simulation_1 |
600.01 |
Download |
| 3-(2-Furyl)aniline
|
Maybridge_Ro3_Fragment_07_A09 |
Simulation_1 |
600.01 |
Download |
| 4-Fluoroaniline
|
Maybridge_Ro3_Fragment_08_E06 |
Simulation_1 |
600.01 |
Download |
| 5-Fluoro-4-thioxo-1,2,3,4-tetrahydropyrimidin-2-one
|
Maybridge_Ro3_Fragment_08_E11 |
Simulation_1 |
600.01 |
Download |
| 4-Fluorophenol
|
Maybridge_Ro3_Fragment_08_G03 |
Simulation_1 |
600.01 |
Download |
| (3-Fluoropyrid-2-yl)methanol
|
Maybridge_Ro3_Fragment_08_H08 |
Simulation_1 |
600.01 |
Download |
| 6-Fluoro-2-methylquinolin-4-ol
|
Maybridge_Ro3_Fragment_10_E04 |
Simulation_1 |
600.01 |
Download |
| 5-(4-Fluorophenyl)cyclohexane-1,3-dione
|
Maybridge_Ro3_Fragment_10_G07 |
Simulation_1 |
600.01 |
Download |
| 1-(2-Furyl)pentane-1,4-dione
|
Maybridge_Ro3_Fragment_11_D04 |
Simulation_1 |
600.01 |
Download |
| 5-(2-Furyl)cyclohexane-1,3-dione
|
Maybridge_Ro3_Fragment_11_D09 |
Simulation_1 |
600.01 |
Download |
| 2-(4-Fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
|
Maybridge_Ro3_Fragment_11_E03 |
Simulation_1 |
600.01 |
Download |
| 6-Fluoro-1,2,3,4-tetrahydro-1lambda~6~-benzothiine-1,1,4-trione
|
Maybridge_Ro3_Fragment_11_E06 |
Simulation_1 |
600.01 |
Download |
| 6-Fluoro-1,3-benzothiazol-2-amine
|
Maybridge_Ro3_Fragment_11_H08 |
Simulation_1 |
600.01 |
Download |
| 5-Fluoro-1,2-dihydropyrimidin-2-one
|
Maybridge_Ro3_Fragment_11_H09 |
Simulation_1 |
600.01 |
Download |
| 5-Fluoroindole-3-acetic acid
|
Maybridge_Ro3_Fragment_13_C05 |
Simulation_1 |
600.01 |
Download |
| (+/-)-Glucose
|
BMRB bmse000015 |
Simulation_1 |
499.84 |
Download |
| Gluconic acid
|
BMRB bmse000084 |
Simulation_1 |
400.13 |
Download |
| Glycine
|
BMRB bmse000089 |
Simulation_1 |
499.84 |
Download |
| Guanine
|
BMRB bmse000090 |
Simulation_1 |
400.13 |
Download |
| Guanosine
|
BMRB bmse000091 |
Simulation_1 |
499.84 |
Download |
| Glycerol
|
BMRB bmse000184 |
Simulation_1 |
499.84 |
Download |
| Glycolate
|
BMRB bmse000245 |
Simulation_1 |
400.13 |
Download |
| Glycolaldehyde
|
BMRB bmse000258 |
Simulation_1 |
400.13 |
Download |
| GDP
|
BMRB bmse000270 |
Simulation_1 |
400.13 |
Download |
| Gamma-Aminobutyric-acid
|
BMRB bmse000340 |
Simulation_1 |
499.84 |
Download |
| 4-Guanidinobutyric-acid
|
BMRB bmse000344 |
Simulation_1 |
499.84 |
Download |
| Guanidineacetic-acid
|
BMRB bmse000384 |
Simulation_1 |
499.84 |
Download |
| Gallic-acid
|
BMRB bmse000389 |
Simulation_1 |
499.84 |
Download |
| Glutaric-acid
|
BMRB bmse000406 |
Simulation_1 |
499.84 |
Download |
| Glutaconic-acid
|
BMRB bmse000435 |
Simulation_1 |
499.84 |
Download |
| Glyoxylic-acid
|
BMRB bmse000471 |
Simulation_1 |
499.84 |
Download |
| Glycerol
|
BMRB bmse000856 |
Simulation_1 |
600.13 |
Download |
| Gamma-Aminobutyric acid
|
BMRB bmse000871 |
Simulation_1 |
600.13 |
Download |
| Gentisaldehyde
|
BMRB bmse000962 |
Simulation_1 |
499.84 |
Download |
| Glycine
|
BMRB bmse000977 |
Simulation_1 |
600.13 |
Download |
| Genistein
|
BMRB bmse001174 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxy-benzoic acid
|
BMRB bmse000092 |
Simulation_1 |
400.13 |
Download |
| Hypoxanthine
|
BMRB bmse000094 |
Simulation_1 |
400.13 |
Download |
| Homovanillic-acid
|
BMRB bmse000132 |
Simulation_1 |
400.13 |
Download |
| 4-Hydroxycinnamic-acid
|
BMRB bmse000150 |
Simulation_1 |
400.13 |
Download |
| 3-Hydroxybutyrate
|
BMRB bmse000161 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxyphenethyl-alcohol
|
BMRB bmse000173 |
Simulation_1 |
400.13 |
Download |
| Homogentisic-acid
|
BMRB bmse000200 |
Simulation_1 |
400.13 |
Download |
| HEPES
|
BMRB bmse000202 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxybenzaldehyde
|
BMRB bmse000259 |
Simulation_1 |
400.13 |
Download |
| 3-4-Hydroxyphenyl-pyruvate
|
BMRB bmse000262 |
Simulation_1 |
400.13 |
Download |
| Hydroquinone
|
BMRB bmse000293 |
Simulation_1 |
400.13 |
Download |
| 3-Hydroxyanthranilic-acid
|
BMRB bmse000321 |
Simulation_1 |
499.84 |
Download |
| 3-Hydroxybenzoic-acid
|
BMRB bmse000324 |
Simulation_1 |
499.84 |
Download |
| 3-2-Hydroxyphenylpropionic-acid
|
BMRB bmse000331 |
Simulation_1 |
499.84 |
Download |
| 3-Hydroxy-3-methylglutaric-acid
|
BMRB bmse000335 |
Simulation_1 |
499.84 |
Download |
| 2-Hydroxyisocaproic-acid
|
BMRB bmse000338 |
Simulation_1 |
499.84 |
Download |
| 3-Hydroxyphenylacetic-acid
|
BMRB bmse000339 |
Simulation_1 |
499.84 |
Download |
| 6-Hydroxynicotinic-acid
|
BMRB bmse000341 |
Simulation_1 |
499.84 |
Download |
| Hexanoic-acid
|
BMRB bmse000351 |
Simulation_1 |
499.84 |
Download |
| 2-Hydroxybutanoic-acid
|
BMRB bmse000361 |
Simulation_1 |
400.13 |
Download |
| 2-Hydroxyethylacetylene
|
BMRB bmse000362 |
Simulation_1 |
499.84 |
Download |
| 5-Hydroxyindoleacetate
|
BMRB bmse000364 |
Simulation_1 |
499.84 |
Download |
| Hippuric-acid
|
BMRB bmse000408 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxy-3-methoxycinnamaldehyde
|
BMRB bmse000422 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxyphenylacetonitrile
|
BMRB bmse000441 |
Simulation_1 |
499.84 |
Download |
| 5-Hydroxymethyluracil
|
BMRB bmse000443 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxy-3-methoxybenzyl-alcohol
|
BMRB bmse000444 |
Simulation_1 |
499.84 |
Download |
| Hypotaurine
|
BMRB bmse000452 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxyphenylacetic-acid
|
BMRB bmse000455 |
Simulation_1 |
499.84 |
Download |
| 5-Hydroxy-L-tryptophan
|
BMRB bmse000457 |
Simulation_1 |
499.84 |
Download |
| 3-2-Hydroxyethyl-indole
|
BMRB bmse000473 |
Simulation_1 |
499.84 |
Download |
| 2-Hexenal
|
BMRB bmse000536 |
Simulation_1 |
499.84 |
Download |
| 3-Hydroxy-2-methyl-4-pyrone
|
BMRB bmse000538 |
Simulation_1 |
400.13 |
Download |
| 9-Hydroxyfluorene
|
BMRB bmse000564 |
Simulation_1 |
400.13 |
Download |
| 2-Hydroxy-3-methylbutyric-acid
|
BMRB bmse000570 |
Simulation_1 |
499.84 |
Download |
| 3-Hydroxymandelic-acid
|
BMRB bmse000573 |
Simulation_1 |
400.13 |
Download |
| 4-Hydroxybenzaldehyde
|
BMRB bmse000582 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxy-benzoic acid
|
BMRB bmse000583 |
Simulation_1 |
499.84 |
Download |
| 3-Hydroxy-4-methoxycinnamic-acid
|
BMRB bmse000618 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxybenzyl-alcohol
|
BMRB bmse000623 |
Simulation_1 |
499.84 |
Download |
| Hydrocinnamic-acid
|
BMRB bmse000675 |
Simulation_1 |
499.84 |
Download |
| Homoveratric-acid
|
BMRB bmse000682 |
Simulation_1 |
499.84 |
Download |
| 1-Hydroxy-2-naphthoic-acid
|
BMRB bmse000689 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxy-3-methoxymandelic-acid
|
BMRB bmse000703 |
Simulation_1 |
499.84 |
Download |
| 2-Hydroxyphenylacetic-acid
|
BMRB bmse000715 |
Simulation_1 |
499.84 |
Download |
| Histamine
|
BMRB bmse000744 |
Simulation_1 |
499.84 |
Download |
| Homoarginine
|
BMRB bmse000745 |
Simulation_1 |
499.84 |
Download |
| 2-Hydroxyethyl-salicylate
|
BMRB bmse000750 |
Simulation_1 |
499.84 |
Download |
| Homoarginine
|
BMRB bmse000760 |
Simulation_1 |
499.84 |
Download |
| HEPES
|
BMRB bmse000877 |
Simulation_1 |
600.13 |
Download |
| 3-Hydroxybutyrate
|
BMRB bmse000905 |
Simulation_1 |
600.13 |
Download |
| 6-Hydroxyflavanone
|
BMRB bmse000985 |
Simulation_1 |
499.84 |
Download |
| Harmalol
|
BMRB bmse000988 |
Simulation_1 |
499.84 |
Download |
| Harmalol
|
BMRB bmse001010 |
Simulation_1 |
600.13 |
Download |
| 3-(1H-indol-3-yl)prop-2-enoic acid
|
BMRB bmse001114 |
Simulation_1 |
499.84 |
Download |
| 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
|
BMRB bmse001122 |
Simulation_1 |
499.84 |
Download |
| 7-Hydroxyflavone
|
BMRB bmse001159 |
Simulation_1 |
499.84 |
Download |
| 1-(1H-indol-3-yl)-N,N-dimethylmethanamine
|
BMRB bmse001182 |
Simulation_1 |
499.84 |
Download |
| 5-Hydroxy-2-methylnaphthalene-1,4-dione
|
BMRB bmse001187 |
Simulation_1 |
499.84 |
Download |
| 2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
|
BMRB bmse001189 |
Simulation_1 |
499.84 |
Download |
| 5-Hydroxy-2-(hydroxymethyl)pyran-4-one
|
BMRB bmse001196 |
Simulation_1 |
499.84 |
Download |
| 4-Hydroxy-2,5-dimethylfuran-3-one
|
BMRB bmse001203 |
Simulation_1 |
499.84 |
Download |
| 2H-chromene-3-carbothioamide
|
Maybridge_Ro3_Fragment_01_A07 |
Simulation_1 |
600.01 |
Download |
| 3-(1H-pyrrol-1-yl)propanenitrile
|
Maybridge_Ro3_Fragment_01_B11 |
Simulation_1 |
600.01 |
Download |
| 3-(1H-pyrrol-1-yl)pyridine
|
Maybridge_Ro3_Fragment_01_C11 |
Simulation_1 |
600.01 |
Download |
| 1H-benzimidazol-5-ylmethanol
|
Maybridge_Ro3_Fragment_01_G09 |
Simulation_1 |
600.01 |
Download |
| 1-(1H-pyrrol-3-yl)ethan-1-one
|
Maybridge_Ro3_Fragment_01_H02 |
Simulation_1 |
600.01 |
Download |
| 1-(2-Hydroxy-4-methoxyphenyl)ethan-1-one
|
Maybridge_Ro3_Fragment_02_D11 |
Simulation_1 |
600.01 |
Download |
| 2-(1H-pyrazol-1-yl)aniline
|
Maybridge_Ro3_Fragment_02_F03 |
Simulation_1 |
600.01 |
Download |
| 4-(1H-imidazol-1-ylmethyl)benzonitrile
|
Maybridge_Ro3_Fragment_03_C04 |
Simulation_1 |
600.01 |
Download |
| 1-(1H-pyrazol-5-yl)ethan-1-one hydrochloride
|
Maybridge_Ro3_Fragment_04_B04 |
Simulation_1 |
600.01 |
Download |
| 4-(2-Hydroxyethyl)benzonitrile
|
Maybridge_Ro3_Fragment_04_D04 |
Simulation_1 |
600.01 |
Download |
| 2-Hydroxy-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
|
Maybridge_Ro3_Fragment_04_G05 |
Simulation_1 |
600.01 |
Download |
| 1H-1lambda~6~-benzo[b]thiophene-1,1-dione
|
Maybridge_Ro3_Fragment_05_D08 |
Simulation_1 |
600.01 |
Download |
| 2-(Hydroxymethyl)-6-methylpyridin-3-ol
|
Maybridge_Ro3_Fragment_05_D11 |
Simulation_1 |
600.01 |
Download |
| 2-Hydroxy-4,6-dimethylnicotinonitrile
|
Maybridge_Ro3_Fragment_05_E06 |
Simulation_1 |
600.01 |
Download |
| 5-Hex-1-ynylnicotinic acid
|
Maybridge_Ro3_Fragment_05_E08 |
Simulation_1 |
600.01 |
Download |
| 2-(1H-indol-3-yl)ethan-1-ol
|
Maybridge_Ro3_Fragment_05_H11 |
Simulation_1 |
600.01 |
Download |
| 1H-Benzotriazole
|
Maybridge_Ro3_Fragment_06_C08 |
Simulation_1 |
600.01 |
Download |
| 3-(4-Hydroxyphenyl)propionic acid
|
Maybridge_Ro3_Fragment_06_D03 |
Simulation_1 |
600.01 |
Download |
| 4-Hydroxypyridine
|
Maybridge_Ro3_Fragment_07_D02 |
Simulation_1 |
600.01 |
Download |
| 2-Hydroxy-4-methylpyridine
|
Maybridge_Ro3_Fragment_07_D03 |
Simulation_1 |
600.01 |
Download |
| 3-(1H-imidazol-1-ylmethyl)aniline
|
Maybridge_Ro3_Fragment_07_D09 |
Simulation_1 |
600.01 |
Download |
| 3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid
|
Maybridge_Ro3_Fragment_07_E10 |
Simulation_1 |
600.01 |
Download |
| 2-Hydroxy-2-phenylacetic acid
|
Maybridge_Ro3_Fragment_07_H07 |
Simulation_1 |
600.01 |
Download |
| 2-(4-Hydroxyphenyl)acetamide
|
Maybridge_Ro3_Fragment_08_C04 |
Simulation_1 |
600.01 |
Download |
| 2-(1H-pyrazol-1-yl)benzonitrile
|
Maybridge_Ro3_Fragment_08_D02 |
Simulation_1 |
600.01 |
Download |
| 3-Hydroxy-2-methyl-4H-pyran-4-one
|
Maybridge_Ro3_Fragment_08_H03 |
Simulation_1 |
600.01 |
Download |
| 1H-pyrrolo[2,3-b]pyridine
|
Maybridge_Ro3_Fragment_09_B02 |
Simulation_1 |
600.01 |
Download |
| 5H-indeno[1,2-b]pyridine
|
Maybridge_Ro3_Fragment_10_D02 |
Simulation_1 |
600.01 |
Download |
| 3-[(2-Hydroxyethyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile
|
Maybridge_Ro3_Fragment_10_E11 |
Simulation_1 |
600.01 |
Download |
| 4-Hydroxy-3,5-dimethylbenzonitrile
|
Maybridge_Ro3_Fragment_11_A09 |
Simulation_1 |
600.01 |
Download |
| 4-Hydroxy-2,3,6-trimethylphenyl acetate
|
Maybridge_Ro3_Fragment_11_A10 |
Simulation_1 |
600.01 |
Download |
| 3-(1H-imidazol-1-yl)propylamine
|
Maybridge_Ro3_Fragment_11_A11 |
Simulation_1 |
600.01 |
Download |
| 2-[2-(1H-pyrrol-1-yl)ethyl]pyridine
|
Maybridge_Ro3_Fragment_11_B11 |
Simulation_1 |
600.01 |
Download |
| 2-(1H-imidazol-1-yl)-5-(trifluoromethyl)pyridine
|
Maybridge_Ro3_Fragment_11_H05 |
Simulation_1 |
600.01 |
Download |
| 4-[(4-Hydroxyphenyl)thio]phenol
|
Maybridge_Ro3_Fragment_12_D02 |
Simulation_1 |
600.01 |
Download |
| 2-[(2-Hydroxyethyl)anilino]ethan-1-ol
|
Maybridge_Ro3_Fragment_12_F10 |
Simulation_1 |
600.01 |
Download |
| 2-[1-(1H-imidazol-1-yl)vinyl]phenol
|
Maybridge_Ro3_Fragment_12_H02 |
Simulation_1 |
600.01 |
Download |
| 1H-indole
|
Maybridge_Ro3_Fragment_13_H06 |
Simulation_1 |
600.01 |
Download |
| I-erythritol
|
BMRB bmse000095 |
Simulation_1 |
400.13 |
Download |
| Imidazole
|
BMRB bmse000096 |
Simulation_1 |
400.13 |
Download |
| Indole
|
BMRB bmse000097 |
Simulation_1 |
400.13 |
Download |
| Inosine
|
BMRB bmse000098 |
Simulation_1 |
400.13 |
Download |
| Isonicotinic-acid
|
BMRB bmse000133 |
Simulation_1 |
400.13 |
Download |
| Itaconic-acid
|
BMRB bmse000137 |
Simulation_1 |
400.13 |
Download |
| Inosine-5-monophosphate
|
BMRB bmse000175 |
Simulation_1 |
400.13 |
Download |
| Indole-3-acetic-acid
|
BMRB bmse000177 |
Simulation_1 |
400.13 |
Download |
| Isethionic-acid
|
BMRB bmse000242 |
Simulation_1 |
400.13 |
Download |
| 3-Iodo-L-tyrosine
|
BMRB bmse000337 |
Simulation_1 |
499.84 |
Download |
| Isovaleric-acid
|
BMRB bmse000373 |
Simulation_1 |
400.13 |
Download |
| Isobutyric-acid
|
BMRB bmse000439 |
Simulation_1 |
499.84 |
Download |
| 3-Indoleacetonitrile
|
BMRB bmse000488 |
Simulation_1 |
499.84 |
Download |
| Indanone
|
BMRB bmse000496 |
Simulation_1 |
400.13 |
Download |
| 4-Isopropylbenzyl alcohol
|
BMRB bmse000505 |
Simulation_1 |
400.13 |
Download |
| 2-Indanone
|
BMRB bmse000514 |
Simulation_1 |
499.84 |
Download |
| 3-Isochromanone
|
BMRB bmse000539 |
Simulation_1 |
400.13 |
Download |
| 4-Isopropylbenzyl alcohol
|
BMRB bmse000599 |
Simulation_1 |
400.13 |
Download |
| Indole-3-carboxaldehyde
|
BMRB bmse000645 |
Simulation_1 |
400.13 |
Download |
| Indole-3-pyruvic-acid
|
BMRB bmse000646 |
Simulation_1 |
400.13 |
Download |
| 4-Isopropylbenzoic-acid
|
BMRB bmse000662 |
Simulation_1 |
499.84 |
Download |
| Indole-3-acetamide
|
BMRB bmse000696 |
Simulation_1 |
499.84 |
Download |
| Isoprene
|
BMRB bmse000844 |
Simulation_1 |
499.84 |
Download |
| Inosine
|
BMRB bmse000978 |
Simulation_1 |
600.13 |
Download |
| 2-Isopropylmalic-acid
|
BMRB bmse000982 |
Simulation_1 |
499.84 |
Download |
| Isonicotinic acid
|
Maybridge_Ro3_Fragment_01_B05 |
Simulation_1 |
600.01 |
Download |
| Imidazo[1,2-a]pyridin-6-ylmethanol
|
Maybridge_Ro3_Fragment_01_B08 |
Simulation_1 |
600.01 |
Download |
| Imidazo[2,1-b]thiazol-6-ylmethanol
|
Maybridge_Ro3_Fragment_01_H07 |
Simulation_1 |
600.01 |
Download |
| 2-Isopropyl-1H-benzo[d]imidazole
|
Maybridge_Ro3_Fragment_04_C05 |
Simulation_1 |
600.01 |
Download |
| 3-Isoquinolinecarbonitrile
|
Maybridge_Ro3_Fragment_04_F07 |
Simulation_1 |
600.01 |
Download |
| 4-Isopropylaniline
|
Maybridge_Ro3_Fragment_05_D10 |
Simulation_1 |
600.01 |
Download |
| 2-Isopropylphenol
|
Maybridge_Ro3_Fragment_05_E04 |
Simulation_1 |
600.01 |
Download |
| 1-Indanone
|
Maybridge_Ro3_Fragment_06_F03 |
Simulation_1 |
600.01 |
Download |
| Indazole
|
Maybridge_Ro3_Fragment_06_G03 |
Simulation_1 |
600.01 |
Download |
| Indole-5-carboxylic acid
|
Maybridge_Ro3_Fragment_06_H03 |
Simulation_1 |
600.01 |
Download |
| 2-Isopropyl-6-methyl-4-pyrimidinol
|
Maybridge_Ro3_Fragment_09_F05 |
Simulation_1 |
600.01 |
Download |
| Indoxyl acetate
|
Maybridge_Ro3_Fragment_13_A03 |
Simulation_1 |
600.01 |
Download |
| 3-Indolebutyric acid
|
Maybridge_Ro3_Fragment_13_B03 |
Simulation_1 |
600.01 |
Download |
| 2-Ketobutyric-acid
|
BMRB bmse000325 |
Simulation_1 |
499.84 |
Download |
| Kynurenic-acid
|
BMRB bmse000410 |
Simulation_1 |
499.84 |
Download |
| Khellin
|
BMRB bmse000751 |
Simulation_1 |
499.84 |
Download |
| L-alanine
|
BMRB bmse000028 |
Simulation_1 |
400.13 |
Download |
| L-arginine
|
BMRB bmse000029 |
Simulation_1 |
499.84 |
Download |
| L-asparagine
|
BMRB bmse000030 |
Simulation_1 |
499.84 |
Download |
| L-aspartic-acid
|
BMRB bmse000031 |
Simulation_1 |
400.13 |
Download |
| L-citrulline
|
BMRB bmse000032 |
Simulation_1 |
499.84 |
Download |
| L-cystathionine
|
BMRB bmse000033 |
Simulation_1 |
400.13 |
Download |
| L-cysteine
|
BMRB bmse000034 |
Simulation_1 |
499.84 |
Download |
| L-cystine
|
BMRB bmse000035 |
Simulation_1 |
499.84 |
Download |
| L-glutamic-acid
|
BMRB bmse000037 |
Simulation_1 |
499.84 |
Download |
| L-glutamine
|
BMRB bmse000038 |
Simulation_1 |
400.13 |
Download |
| L-histidine
|
BMRB bmse000039 |
Simulation_1 |
499.84 |
Download |
| L-Homoserine
|
BMRB bmse000040 |
Simulation_1 |
400.13 |
Download |
| L-isoleucine
|
BMRB bmse000041 |
Simulation_1 |
499.84 |
Download |
| L-leucine
|
BMRB bmse000042 |
Simulation_1 |
899.75 |
Download |
| L-lysine
|
BMRB bmse000043 |
Simulation_1 |
499.84 |
Download |
| L-methionine
|
BMRB bmse000044 |
Simulation_1 |
499.84 |
Download |
| L-phenylalanine
|
BMRB bmse000045 |
Simulation_1 |
499.84 |
Download |
| L-proline
|
BMRB bmse000047 |
Simulation_1 |
499.84 |
Download |
| Simulation_2 |
899.75 |
Download |
| L-serine
|
BMRB bmse000048 |
Simulation_1 |
499.84 |
Download |
| L-threonine
|
BMRB bmse000049 |
Simulation_1 |
499.84 |
Download |
| L-tryptophan
|
BMRB bmse000050 |
Simulation_1 |
499.84 |
Download |
| L-tyrosine
|
BMRB bmse000051 |
Simulation_1 |
499.84 |
Download |
| L-valine
|
BMRB bmse000052 |
Simulation_1 |
499.84 |
Download |
| L-canavanine
|
BMRB bmse000073 |
Simulation_1 |
400.13 |
Download |
| L-threitol
|
BMRB bmse000121 |
Simulation_1 |
400.13 |
Download |
| L-methionine-methylsulfonium-iodide
|
BMRB bmse000153 |
Simulation_1 |
400.13 |
Download |
| L-ornithine
|
BMRB bmse000162 |
Simulation_1 |
400.13 |
Download |
| L-tartaric-acid
|
BMRB bmse000167 |
Simulation_1 |
400.13 |
Download |
| L-selenomethionine
|
BMRB bmse000169 |
Simulation_1 |
400.13 |
Download |
| L-kynurenine
|
BMRB bmse000172 |
Simulation_1 |
400.13 |
Download |
| L-ascorbate
|
BMRB bmse000182 |
Simulation_1 |
400.13 |
Download |
| L-Glutathione reduced
|
BMRB bmse000185 |
Simulation_1 |
499.84 |
Download |
| L-lactic-acid
|
BMRB bmse000208 |
Simulation_1 |
499.84 |
Download |
| L-carnitine
|
BMRB bmse000211 |
Simulation_1 |
400.13 |
Download |
| L-malic-acid
|
BMRB bmse000238 |
Simulation_1 |
400.13 |
Download |
| L-carnosine
|
BMRB bmse000246 |
Simulation_1 |
400.13 |
Download |
| L-Dihydroorotic-acid
|
BMRB bmse000342 |
Simulation_1 |
499.84 |
Download |
| L-Cysteic-acid
|
BMRB bmse000380 |
Simulation_1 |
499.84 |
Download |
| L-homocitrulline
|
BMRB bmse000442 |
Simulation_1 |
499.84 |
Download |
| L-Histidinol
|
BMRB bmse000448 |
Simulation_1 |
499.84 |
Download |
| L-4-hydroxyphenylglycine
|
BMRB bmse000629 |
Simulation_1 |
499.84 |
Download |
| L-cysteinesulfinic-acid
|
BMRB bmse000706 |
Simulation_1 |
499.84 |
Download |
| L-Arginine
|
BMRB bmse000711 |
Simulation_1 |
499.84 |
Download |
| L-anserine
|
BMRB bmse000776 |
Simulation_1 |
499.84 |
Download |
| L-Citrulline
|
BMRB bmse000858 |
Simulation_1 |
600.13 |
Download |
| L-Threonine
|
BMRB bmse000859 |
Simulation_1 |
600.13 |
Download |
| L-Valine
|
BMRB bmse000860 |
Simulation_1 |
600.13 |
Download |
| L-Isoleucine
|
BMRB bmse000866 |
Simulation_1 |
600.13 |
Download |
| L-Serine
|
BMRB bmse000867 |
Simulation_1 |
600.13 |
Download |
| L-Tryptophan
|
BMRB bmse000868 |
Simulation_1 |
600.13 |
Download |
| L-Aspartic acid
|
BMRB bmse000875 |
Simulation_1 |
600.13 |
Download |
| L-Arginine
|
BMRB bmse000899 |
Simulation_1 |
600.13 |
Download |
| L-Phenylalanine
|
BMRB bmse000900 |
Simulation_1 |
600.13 |
Download |
| L(-)-Glutathione, oxidized
|
BMRB bmse000906 |
Simulation_1 |
600.13 |
Download |
| L-Asparagine
|
BMRB bmse000912 |
Simulation_1 |
600.13 |
Download |
| L-Glutamic acid
|
BMRB bmse000913 |
Simulation_1 |
600.13 |
Download |
| L-lysine
|
BMRB bmse000914 |
Simulation_1 |
600.13 |
Download |
| L-Methionine
|
BMRB bmse000915 |
Simulation_1 |
600.13 |
Download |
| L-Arginine
|
BMRB bmse000919 |
Simulation_1 |
600.13 |
Download |
| L-Phenylalanine
|
BMRB bmse000921 |
Simulation_1 |
600.13 |
Download |
| L-thyroxine
|
BMRB bmse000923 |
Simulation_1 |
499.84 |
Download |
| L-Proline
|
BMRB bmse000947 |
Simulation_1 |
600.13 |
Download |
| L-Glutathione reduced
|
BMRB bmse000952 |
Simulation_1 |
600.13 |
Download |
| L-cysteine
|
BMRB bmse000975 |
Simulation_1 |
600.13 |
Download |
| L-Histidine
|
BMRB bmse000976 |
Simulation_1 |
600.13 |
Download |
| L-(+) Lactic acid
|
BMRB bmse000979 |
Simulation_1 |
600.13 |
Download |
| Lapachol
|
BMRB bmse000989 |
Simulation_1 |
499.84 |
Download |
| 1,4Lambda~6~-oxathiane-4,4-dione
|
Maybridge_Ro3_Fragment_08_G11 |
Simulation_1 |
600.01 |
Download |
| Malic-acid
|
BMRB bmse000046 |
Simulation_1 |
499.84 |
Download |
| Meso-erythritol
|
BMRB bmse000100 |
Simulation_1 |
400.13 |
Download |
| Methyl-oxobutanoic-acid
|
BMRB bmse000101 |
Simulation_1 |
400.13 |
Download |
| Muco-inositol
|
BMRB bmse000102 |
Simulation_1 |
400.13 |
Download |
| Myo-inositol
|
BMRB bmse000103 |
Simulation_1 |
499.84 |
Download |
| Maleic-acid
|
BMRB bmse000212 |
Simulation_1 |
400.13 |
Download |
| Methyl-4-aminobutyrate
|
BMRB bmse000249 |
Simulation_1 |
400.13 |
Download |
| Methanol
|
BMRB bmse000294 |
Simulation_1 |
400.13 |
Download |
| 3-Methyl-2-oxopentanoic-acid
|
BMRB bmse000319 |
Simulation_1 |
499.84 |
Download |
| 3-Methylcatechol
|
BMRB bmse000334 |
Simulation_1 |
499.84 |
Download |
| M-Cresol
|
BMRB bmse000350 |
Simulation_1 |
499.84 |
Download |
| 4-Methyl-5-thiazoleethanol
|
BMRB bmse000355 |
Simulation_1 |
499.84 |
Download |
| 4-Methyl-2-oxovaleric-acid
|
BMRB bmse000383 |
Simulation_1 |
499.84 |
Download |
| Malonic acid
|
BMRB bmse000386 |
Simulation_1 |
499.84 |
Download |
| Methylmalonic-acid
|
BMRB bmse000398 |
Simulation_1 |
499.84 |
Download |
| 5-Methylcytosine
|
BMRB bmse000421 |
Simulation_1 |
499.84 |
Download |
| Maleamic-acid
|
BMRB bmse000460 |
Simulation_1 |
499.84 |
Download |
| 4-Methylcatechol
|
BMRB bmse000475 |
Simulation_1 |
499.84 |
Download |
| 3-Methylindole
|
BMRB bmse000516 |
Simulation_1 |
499.84 |
Download |
| 4-Methylbenzyl-alcohol
|
BMRB bmse000520 |
Simulation_1 |
499.84 |
Download |
| 1-Methylnaphthalene
|
BMRB bmse000531 |
Simulation_1 |
499.84 |
Download |
| 2-Methylnaphthalene
|
BMRB bmse000537 |
Simulation_1 |
400.13 |
Download |
| 3-Methylbenzyl-alcohol
|
BMRB bmse000540 |
Simulation_1 |
499.84 |
Download |
| M-tolualdehyde
|
BMRB bmse000552 |
Simulation_1 |
499.84 |
Download |
| M-toluic-acid
|
BMRB bmse000553 |
Simulation_1 |
400.13 |
Download |
| M-xylene
|
BMRB bmse000554 |
Simulation_1 |
499.84 |
Download |
| 3-Methyl-2-oxopentanoic acid
|
BMRB bmse000574 |
Simulation_1 |
499.84 |
Download |
| Monoethyl-malonate
|
BMRB bmse000579 |
Simulation_1 |
499.84 |
Download |
| 3-Methyl-2-butenoic-acid
|
BMRB bmse000581 |
Simulation_1 |
499.84 |
Download |
| Methyl-sinapate
|
BMRB bmse000589 |
Simulation_1 |
499.84 |
Download |
| Methyl-4-coumarate
|
BMRB bmse000605 |
Simulation_1 |
499.84 |
Download |
| Methyl-ferulate
|
BMRB bmse000609 |
Simulation_1 |
499.84 |
Download |
| 3-Methyladipic-acid
|
BMRB bmse000619 |
Simulation_1 |
499.84 |
Download |
| 3-Methylsalicylic-acid
|
BMRB bmse000620 |
Simulation_1 |
499.84 |
Download |
| 4-Methylsalicylic-acid
|
BMRB bmse000624 |
Simulation_1 |
499.84 |
Download |
| 4-Methylvaleric-acid
|
BMRB bmse000625 |
Simulation_1 |
499.84 |
Download |
| 5-Methoxytryptamine
|
BMRB bmse000626 |
Simulation_1 |
499.84 |
Download |
| 1-Methylnicotinamide
|
BMRB bmse000639 |
Simulation_1 |
400.13 |
Download |
| Metaldehyde
|
BMRB bmse000647 |
Simulation_1 |
400.13 |
Download |
| 2-Methylglutaric-acid
|
BMRB bmse000654 |
Simulation_1 |
499.84 |
Download |
| 5-Methoxy-3-indoleacetic-acid
|
BMRB bmse000694 |
Simulation_1 |
499.84 |
Download |
| 3-Methylphenylacetate
|
BMRB bmse000736 |
Simulation_1 |
499.84 |
Download |
| Mesaconic-acid
|
BMRB bmse000746 |
Simulation_1 |
499.84 |
Download |
| 5-Methoxypsoralen
|
BMRB bmse000758 |
Simulation_1 |
499.84 |
Download |
| 5-Methyluridine
|
BMRB bmse000759 |
Simulation_1 |
499.84 |
Download |
| Mesaconic acid
|
BMRB bmse000761 |
Simulation_1 |
499.84 |
Download |
| 3-Methoxybenzamide
|
BMRB bmse000775 |
Simulation_1 |
499.84 |
Download |
| Metoclopramide
|
BMRB bmse000779 |
Simulation_1 |
499.84 |
Download |
| MES
|
BMRB bmse000787 |
Simulation_1 |
499.84 |
Download |
| 3-Methylsalicylaldehyde
|
BMRB bmse000843 |
Simulation_1 |
499.84 |
Download |
| Myo-Inositol
|
BMRB bmse000901 |
Simulation_1 |
600.13 |
Download |
| Malic acid
|
BMRB bmse000904 |
Simulation_1 |
600.13 |
Download |
| Myo-Inositol
|
BMRB bmse000922 |
Simulation_1 |
600.13 |
Download |
| 3-Methoxytyramine
|
BMRB bmse000929 |
Simulation_1 |
499.84 |
Download |
| 5-Methoxy-DL-tryptophan
|
BMRB bmse000943 |
Simulation_1 |
499.84 |
Download |
| 2-Methylnaphthalene-1,4-dione
|
BMRB bmse001141 |
Simulation_1 |
499.84 |
Download |
| 6-Methylhept-5-en-2-one
|
BMRB bmse001148 |
Simulation_1 |
499.84 |
Download |
| Methyldisulfanylmethane
|
BMRB bmse001151 |
Simulation_1 |
499.84 |
Download |
| Methylsulfanyldisulfanylmethane
|
BMRB bmse001152 |
Simulation_1 |
499.84 |
Download |
| 2-Methyl-5-propan-2-ylphenol
|
BMRB bmse001154 |
Simulation_1 |
499.84 |
Download |
| 3-Methylbutanal
|
BMRB bmse001181 |
Simulation_1 |
499.84 |
Download |
| 5-Methylfuran-2-carbaldehyde
|
BMRB bmse001191 |
Simulation_1 |
499.84 |
Download |
| Methyl 4-hydroxybenzoate
|
BMRB bmse001194 |
Simulation_1 |
499.84 |
Download |
| 5-Methyl-2-thiophenecarboxylic acid
|
Maybridge_Ro3_Fragment_01_B02 |
Simulation_1 |
600.01 |
Download |
| 1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol
|
Maybridge_Ro3_Fragment_01_B03 |
Simulation_1 |
600.01 |
Download |
| 4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
|
Maybridge_Ro3_Fragment_01_B09 |
Simulation_1 |
600.01 |
Download |
| 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol
|
Maybridge_Ro3_Fragment_01_D03 |
Simulation_1 |
600.01 |
Download |
| (2-Methyl-2H-indazol-3-yl)methanol
|
Maybridge_Ro3_Fragment_01_D09 |
Simulation_1 |
600.01 |
Download |
| 5-Methyl-2-phenyl-3-furoic acid
|
Maybridge_Ro3_Fragment_01_D10 |
Simulation_1 |
600.01 |
Download |
| {4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanol
|
Maybridge_Ro3_Fragment_01_F09 |
Simulation_1 |
600.01 |
Download |
| 2-(2-Methyl-1,3-thiazol-4-yl)acetic acid
|
Maybridge_Ro3_Fragment_01_F11 |
Simulation_1 |
600.01 |
Download |
| 4-Methylthiophene-2-carboxamide
|
Maybridge_Ro3_Fragment_01_G07 |
Simulation_1 |
600.01 |
Download |
| 4-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
|
Maybridge_Ro3_Fragment_01_G11 |
Simulation_1 |
600.01 |
Download |
| (1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
|
Maybridge_Ro3_Fragment_01_H09 |
Simulation_1 |
600.01 |
Download |
| 3-Methylpicolinic acid
|
Maybridge_Ro3_Fragment_02_A04 |
Simulation_1 |
600.01 |
Download |
| Methyl 2-cyanobenzoate
|
Maybridge_Ro3_Fragment_02_A10 |
Simulation_1 |
600.01 |
Download |
| Methyl 3-chloro-4-methylthiophene-2-carboxylate
|
Maybridge_Ro3_Fragment_02_B02 |
Simulation_1 |
600.01 |
Download |
| Methyl 1,3-thiazolane-2-carboxylate hydrochloride
|
Maybridge_Ro3_Fragment_02_B03 |
Simulation_1 |
600.01 |
Download |
| 5-Methyl-2-pyridinol
|
Maybridge_Ro3_Fragment_02_C11 |
Simulation_1 |
600.01 |
Download |
| 6-Methyl-4-piperazino-2-(trifluoromethyl)quinoline
|
Maybridge_Ro3_Fragment_02_D03 |
Simulation_1 |
600.01 |
Download |
| 2-Methoxypyridin-3-amine
|
Maybridge_Ro3_Fragment_02_D09 |
Simulation_1 |
600.01 |
Download |
| Methyl 5-chloro-2-hydroxybenzoate
|
Maybridge_Ro3_Fragment_02_E04 |
Simulation_1 |
600.01 |
Download |
| 4-Methylpyridin-2-amine
|
Maybridge_Ro3_Fragment_02_E06 |
Simulation_1 |
600.01 |
Download |
| Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
|
Maybridge_Ro3_Fragment_02_E08 |
Simulation_1 |
600.01 |
Download |
| 5-(4-Methylphenyl)-1,3-oxazole
|
Maybridge_Ro3_Fragment_02_F07 |
Simulation_1 |
600.01 |
Download |
| Methyl 2-(trifluoromethoxy)benzoate
|
Maybridge_Ro3_Fragment_02_F09 |
Simulation_1 |
600.01 |
Download |
| (1-Methyl-1H-imidazol-4-yl)methylamine
|
Maybridge_Ro3_Fragment_02_F11 |
Simulation_1 |
600.01 |
Download |
| 4-Methoxythiophene-3-carboxylic acid
|
Maybridge_Ro3_Fragment_02_G02 |
Simulation_1 |
600.01 |
Download |
| 3-(2-Methyl-1H-imidazol-1-yl)propanenitrile
|
Maybridge_Ro3_Fragment_02_G06 |
Simulation_1 |
600.01 |
Download |
| 1-Methyl-1H-imidazole-4-carbonitrile
|
Maybridge_Ro3_Fragment_02_G11 |
Simulation_1 |
600.01 |
Download |
| 4-Methyl-thiazole-5-carboxylic acid
|
Maybridge_Ro3_Fragment_02_H03 |
Simulation_1 |
600.01 |
Download |
| 5-Methyl-1,3,4-thiadiazol-2-amine
|
Maybridge_Ro3_Fragment_02_H06 |
Simulation_1 |
600.01 |
Download |
| 6-Methoxypyridine-3-carbothioamide
|
Maybridge_Ro3_Fragment_02_H08 |
Simulation_1 |
600.01 |
Download |
| (2-Methyl-1,3-thiazol-4-yl)methylamine
|
Maybridge_Ro3_Fragment_03_A02 |
Simulation_1 |
600.01 |
Download |
| 5-Methyl-3-isoxazolecarbonitrile
|
Maybridge_Ro3_Fragment_03_C02 |
Simulation_1 |
600.01 |
Download |
| 3-(1-Methyl-1H-pyrazol-3-yl)aniline
|
Maybridge_Ro3_Fragment_03_E07 |
Simulation_1 |
600.01 |
Download |
| {2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol
|
Maybridge_Ro3_Fragment_03_E08 |
Simulation_1 |
600.01 |
Download |
| 1-Methyl-1H-indole-4-carbonitrile
|
Maybridge_Ro3_Fragment_03_F04 |
Simulation_1 |
600.01 |
Download |
| 3-(2-Methyl-1H-imidazol-1-yl)benzylamine
|
Maybridge_Ro3_Fragment_03_F07 |
Simulation_1 |
600.01 |
Download |
| 4-(1-Methyl-1H-pyrazol-3-yl)aniline
|
Maybridge_Ro3_Fragment_03_G02 |
Simulation_1 |
600.01 |
Download |
| 3-(2-Methyl-1H-imidazol-1-yl)aniline
|
Maybridge_Ro3_Fragment_03_G07 |
Simulation_1 |
600.01 |
Download |
| (4-Methyl-2-pyrid-4-yl-1,3-thiazol-5-yl)methanol
|
Maybridge_Ro3_Fragment_03_H06 |
Simulation_1 |
600.01 |
Download |
| 7-Methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
|
Maybridge_Ro3_Fragment_03_H11 |
Simulation_1 |
600.01 |
Download |
| 4-Morpholinobenzonitrile
|
Maybridge_Ro3_Fragment_04_B03 |
Simulation_1 |
600.01 |
Download |
| 5-Methyl-2-(trifluoromethyl)-3-furamide
|
Maybridge_Ro3_Fragment_04_B06 |
Simulation_1 |
600.01 |
Download |
| 2-Methyl-1H-benzo[d]imidazole
|
Maybridge_Ro3_Fragment_04_B07 |
Simulation_1 |
600.01 |
Download |
| 6-Methylquinoxaline
|
Maybridge_Ro3_Fragment_04_C03 |
Simulation_1 |
600.01 |
Download |
| 2-(4-Methoxyphenoxy)ethanethioamide
|
Maybridge_Ro3_Fragment_04_C06 |
Simulation_1 |
600.01 |
Download |
| 4-Methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonitrile
|
Maybridge_Ro3_Fragment_04_C09 |
Simulation_1 |
600.01 |
Download |
| 3-Methoxythiophene-2-carboxamide
|
Maybridge_Ro3_Fragment_04_D10 |
Simulation_1 |
600.01 |
Download |
| Methyl 4-(trifluoromethyl)nicotinate
|
Maybridge_Ro3_Fragment_04_E03 |
Simulation_1 |
600.01 |
Download |
| 4-Methyl-2,1,3-benzoxadiazole
|
Maybridge_Ro3_Fragment_04_E06 |
Simulation_1 |
600.01 |
Download |
| 3-Methoxyphenethyl alcohol
|
Maybridge_Ro3_Fragment_04_E07 |
Simulation_1 |
600.01 |
Download |
| 3-Methyl-2-furoic acid
|
Maybridge_Ro3_Fragment_04_E09 |
Simulation_1 |
600.01 |
Download |
| 2-Methoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
|
Maybridge_Ro3_Fragment_04_F05 |
Simulation_1 |
600.01 |
Download |
| Methyl 3-cyanobenzoate
|
Maybridge_Ro3_Fragment_04_G03 |
Simulation_1 |
600.01 |
Download |
| 2-Methyl-5-phenyl-3-furoic acid
|
Maybridge_Ro3_Fragment_04_G06 |
Simulation_1 |
600.01 |
Download |
| 2-(3-Methoxyphenyl)acetonitrile
|
Maybridge_Ro3_Fragment_04_G08 |
Simulation_1 |
600.01 |
Download |
| 2-(Methoxymethyl)-1-methyl-1H-benzimidazole
|
Maybridge_Ro3_Fragment_04_G11 |
Simulation_1 |
600.01 |
Download |
| 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
|
Maybridge_Ro3_Fragment_04_H05 |
Simulation_1 |
600.01 |
Download |
| 4'-Methoxyacetophenone
|
Maybridge_Ro3_Fragment_05_A05 |
Simulation_1 |
600.01 |
Download |
| 8-Methyl-1,2,3,4-tetrahydroquinoline
|
Maybridge_Ro3_Fragment_05_A06 |
Simulation_1 |
600.01 |
Download |
| 3-Methyl-5-phenyl-1,2,4-thiadiazole
|
Maybridge_Ro3_Fragment_05_B02 |
Simulation_1 |
600.01 |
Download |
| 2-(3-Methoxyphenyl)acetic acid
|
Maybridge_Ro3_Fragment_05_B05 |
Simulation_1 |
600.01 |
Download |
| 2-[(4-Methylphenyl)thio]nicotinic acid
|
Maybridge_Ro3_Fragment_05_B09 |
Simulation_1 |
600.01 |
Download |
| 2-Methoxy-5-methylphenol
|
Maybridge_Ro3_Fragment_05_C05 |
Simulation_1 |
600.01 |
Download |
| 2-(Methylthio)nicotinic acid
|
Maybridge_Ro3_Fragment_05_D09 |
Simulation_1 |
600.01 |
Download |
| Methyl 3-amino-4-methylbenzoate
|
Maybridge_Ro3_Fragment_05_E05 |
Simulation_1 |
600.01 |
Download |
| 5-Methoxybenzimidazole
|
Maybridge_Ro3_Fragment_05_F03 |
Simulation_1 |
600.01 |
Download |
| Methyl 4-methoxythiophene-3-carboxylate
|
Maybridge_Ro3_Fragment_05_F08 |
Simulation_1 |
600.01 |
Download |
| 7-Methylindan-4-ol
|
Maybridge_Ro3_Fragment_05_F11 |
Simulation_1 |
600.01 |
Download |
| 2-(Methylthio)-1,3-benzothiazol-6-amine
|
Maybridge_Ro3_Fragment_05_G06 |
Simulation_1 |
600.01 |
Download |
| 5-Methyl-2,1,3-benzothiadiazole
|
Maybridge_Ro3_Fragment_05_G08 |
Simulation_1 |
600.01 |
Download |
| 7-Methyl-2,3-dihydro-1H-inden-4-yl acetate
|
Maybridge_Ro3_Fragment_06_A09 |
Simulation_1 |
600.01 |
Download |
| 4-Methoxybenzamide
|
Maybridge_Ro3_Fragment_06_B04 |
Simulation_1 |
600.01 |
Download |
| 6-Methoxy-1-tetralone
|
Maybridge_Ro3_Fragment_06_C04 |
Simulation_1 |
600.01 |
Download |
| 4'-Methoxyacetanilide
|
Maybridge_Ro3_Fragment_06_E09 |
Simulation_1 |
600.01 |
Download |
| (1-Methyl-1H-imidazol-2-yl)methanol
|
Maybridge_Ro3_Fragment_06_F02 |
Simulation_1 |
600.01 |
Download |
| 4-Methylimidazole
|
Maybridge_Ro3_Fragment_06_F08 |
Simulation_1 |
600.01 |
Download |
| 2-Methoxy-5-(trifluoromethyl)aniline
|
Maybridge_Ro3_Fragment_06_G10 |
Simulation_1 |
600.01 |
Download |
| 1-Methyl-2-pyridone
|
Maybridge_Ro3_Fragment_06_H04 |
Simulation_1 |
600.01 |
Download |
| 1-Methyl-6,7-diethoxy-3,4-dihydroisoquinoline
|
Maybridge_Ro3_Fragment_06_H09 |
Simulation_1 |
600.01 |
Download |
| 3-Methylbenzofuran-2-carboxylic acid
|
Maybridge_Ro3_Fragment_07_B03 |
Simulation_1 |
600.01 |
Download |
| Methyl 2-aminothiophene-3-carboxylate
|
Maybridge_Ro3_Fragment_07_B11 |
Simulation_1 |
600.01 |
Download |
| Methyl 5-amino-1-benzothiophene-2-carboxylate
|
Maybridge_Ro3_Fragment_07_C06 |
Simulation_1 |
600.01 |
Download |
| 3-(2-Methyl-1,3-thiazol-4-yl)aniline
|
Maybridge_Ro3_Fragment_07_D10 |
Simulation_1 |
600.01 |
Download |
| 3-Morpholin-4-ylaniline
|
Maybridge_Ro3_Fragment_07_E06 |
Simulation_1 |
600.01 |
Download |
| M-Tolyl acetate
|
Maybridge_Ro3_Fragment_07_F05 |
Simulation_1 |
600.01 |
Download |
| Methyl 4-acetylbenzoate
|
Maybridge_Ro3_Fragment_07_G05 |
Simulation_1 |
600.01 |
Download |
| Methyl 3-amino-4-methylthiophene-2-carboxylate
|
Maybridge_Ro3_Fragment_08_A02 |
Simulation_1 |
600.01 |
Download |
| Methyl 2-(phenylthio)acetate
|
Maybridge_Ro3_Fragment_08_A05 |
Simulation_1 |
600.01 |
Download |
| (1-Methyl-3-phenyl-1H-pyrazol-5-yl)methanol
|
Maybridge_Ro3_Fragment_08_B03 |
Simulation_1 |
600.01 |
Download |
| Methyl indole-5-carboxylate
|
Maybridge_Ro3_Fragment_08_B07 |
Simulation_1 |
600.01 |
Download |
| 4-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
|
Maybridge_Ro3_Fragment_08_B09 |
Simulation_1 |
600.01 |
Download |
| Methyl 2-(methylthio)benzoate
|
Maybridge_Ro3_Fragment_08_C11 |
Simulation_1 |
600.01 |
Download |
| 3-Methyl-1,2-dihydropyridin-2-one
|
Maybridge_Ro3_Fragment_08_F02 |
Simulation_1 |
600.01 |
Download |
| Methyl 3-aminobenzoate
|
Maybridge_Ro3_Fragment_08_F04 |
Simulation_1 |
600.01 |
Download |
| Methyl isoquinoline-3-carboxylate
|
Maybridge_Ro3_Fragment_08_F05 |
Simulation_1 |
600.01 |
Download |
| 6-Methyl-2H-chromen-2-one
|
Maybridge_Ro3_Fragment_08_G05 |
Simulation_1 |
600.01 |
Download |
| 7-Methoxy-3,4-dihydro-1(2H)-naphthalenone
|
Maybridge_Ro3_Fragment_08_G06 |
Simulation_1 |
600.01 |
Download |
| 7-Methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one
|
Maybridge_Ro3_Fragment_08_G09 |
Simulation_1 |
600.01 |
Download |
| 2-Methyl-5-(2-thienyl)-3-furoic acid
|
Maybridge_Ro3_Fragment_09_A03 |
Simulation_1 |
600.01 |
Download |
| 3-Methyl-5-(trifluoromethyl)-1H-pyrazole
|
Maybridge_Ro3_Fragment_09_B05 |
Simulation_1 |
600.01 |
Download |
| 2-(Methylthio)-5-(1H-pyrrol-1-yl)-1,3,4-thiadiazole
|
Maybridge_Ro3_Fragment_09_B06 |
Simulation_1 |
600.01 |
Download |
| 5-Methyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazin-3-one
|
Maybridge_Ro3_Fragment_09_D09 |
Simulation_1 |
600.01 |
Download |
| 1-Methyl-1,3-dihydrobenzo[c]isothiazol-3-one
|
Maybridge_Ro3_Fragment_09_E03 |
Simulation_1 |
600.01 |
Download |
| 2-Methyl-6-phenyl-2,3-dihydropyridazin-3-one
|
Maybridge_Ro3_Fragment_09_F04 |
Simulation_1 |
600.01 |
Download |
| 2-Methyl-5-(1H-pyrrol-1-yl)-1,3,4-thiadiazole
|
Maybridge_Ro3_Fragment_10_A07 |
Simulation_1 |
600.01 |
Download |
| 6-Methyl-2-phenyl-2,3,4,5-tetrahydropyridazin-3-one
|
Maybridge_Ro3_Fragment_10_B02 |
Simulation_1 |
600.01 |
Download |
| 2-Methyl-6-(trifluoromethyl)nicotinonitrile
|
Maybridge_Ro3_Fragment_10_C04 |
Simulation_1 |
600.01 |
Download |
| 3-Methyl-7,8-dihydroquinolin-5(6H)-one hydrochloride
|
Maybridge_Ro3_Fragment_10_C05 |
Simulation_1 |
600.01 |
Download |
| 3-Methoxyaniline
|
Maybridge_Ro3_Fragment_10_C08 |
Simulation_1 |
600.01 |
Download |
| 5-Methoxy-2-methyl-1H-indole
|
Maybridge_Ro3_Fragment_10_D06 |
Simulation_1 |
600.01 |
Download |
| 5-Methylpyridin-2-amine
|
Maybridge_Ro3_Fragment_10_D08 |
Simulation_1 |
600.01 |
Download |
| 2-Methyl-4-(methylthio)quinoline
|
Maybridge_Ro3_Fragment_10_F02 |
Simulation_1 |
600.01 |
Download |
| 6-Methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-one
|
Maybridge_Ro3_Fragment_10_F09 |
Simulation_1 |
600.01 |
Download |
| 2-(Methylthio)-4-(3-pyridyl)pyrimidine
|
Maybridge_Ro3_Fragment_10_F11 |
Simulation_1 |
600.01 |
Download |
| Methyl 2-[(2-methyl-4-quinolyl)thio]acetate
|
Maybridge_Ro3_Fragment_10_G02 |
Simulation_1 |
600.01 |
Download |
| Methyl 1H-pyrrole-2-carboxylate
|
Maybridge_Ro3_Fragment_10_G08 |
Simulation_1 |
600.01 |
Download |
| 6-Methoxypyridin-3-amine
|
Maybridge_Ro3_Fragment_10_H09 |
Simulation_1 |
600.01 |
Download |
| 2-(Methylthio)-4,5-dihydro-1H-imidazole hydrobromide
|
Maybridge_Ro3_Fragment_11_B08 |
Simulation_1 |
600.01 |
Download |
| 6-Methyl-2-phenylpyrimidin-4-ol
|
Maybridge_Ro3_Fragment_11_C04 |
Simulation_1 |
600.01 |
Download |
| 6-Methyl-2,3-dihydro-1,3-benzoxazole-2-thione
|
Maybridge_Ro3_Fragment_11_D02 |
Simulation_1 |
600.01 |
Download |
| 2-Methyl-4-(4-methylphenyl)-1,3-thiazole
|
Maybridge_Ro3_Fragment_11_D06 |
Simulation_1 |
600.01 |
Download |
| 2-(Methylthio)aniline
|
Maybridge_Ro3_Fragment_11_E07 |
Simulation_1 |
600.01 |
Download |
| 3-(2-Methoxyphenyl)propanoic acid
|
Maybridge_Ro3_Fragment_11_E08 |
Simulation_1 |
600.01 |
Download |
| 2-Methyl-1,3-thiazole-4-carbonitrile
|
Maybridge_Ro3_Fragment_11_E11 |
Simulation_1 |
600.01 |
Download |
| 6-Methyl-2,3-dihydropyridazin-3-one hydrate
|
Maybridge_Ro3_Fragment_11_F09 |
Simulation_1 |
600.01 |
Download |
| 2-(Methylthio)pyrido[3,2-d][1,3]thiazole
|
Maybridge_Ro3_Fragment_11_H03 |
Simulation_1 |
600.01 |
Download |
| 5-Methyl-2-(methylthio)-6-propylpyrimidin-4-ol
|
Maybridge_Ro3_Fragment_12_A09 |
Simulation_1 |
600.01 |
Download |
| 6-Methyl-2,3,4,5-tetrahydropyridazin-3-one
|
Maybridge_Ro3_Fragment_12_C06 |
Simulation_1 |
600.01 |
Download |
| Methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate
|
Maybridge_Ro3_Fragment_12_D03 |
Simulation_1 |
600.01 |
Download |
| Methyl 3-(4-chloroanilino)propanoate
|
Maybridge_Ro3_Fragment_12_D04 |
Simulation_1 |
600.01 |
Download |
| 4-Methylbenzoic acid
|
Maybridge_Ro3_Fragment_12_F02 |
Simulation_1 |
600.01 |
Download |
| 6-Methyl-2-(4-methylbenzyl)-2,3-dihydropyridazin-3-one
|
Maybridge_Ro3_Fragment_12_G06 |
Simulation_1 |
600.01 |
Download |
| 4-(Methylsulfonyl)benzonitrile
|
Maybridge_Ro3_Fragment_12_H07 |
Simulation_1 |
600.01 |
Download |
| 1-(3-Methylpyrazin-2-yl)ethan-1-one
|
Maybridge_Ro3_Fragment_13_D04 |
Simulation_1 |
600.01 |
Download |
| [5-Methyl-2-(trifluoromethyl)-3-furyl]methylamine
|
Maybridge_Ro3_Fragment_13_E02 |
Simulation_1 |
600.01 |
Download |
| (1-Methyl-1H-indol-5-yl)methylamine
|
Maybridge_Ro3_Fragment_13_F03 |
Simulation_1 |
600.01 |
Download |
| (3-Methyl-3-oxetanyl)methanol
|
Maybridge_Ro3_Fragment_13_F04 |
Simulation_1 |
600.01 |
Download |
| (5-Methylthien-2-yl)methylamine hydrochloride
|
Maybridge_Ro3_Fragment_13_G03 |
Simulation_1 |
600.01 |
Download |
| 1-Methyl-2-imidazolidinethione
|
Maybridge_Ro3_Fragment_13_G04 |
Simulation_1 |
600.01 |
Download |
| (2-Methyl-3-furyl)methylamine
|
Maybridge_Ro3_Fragment_13_H05 |
Simulation_1 |
600.01 |
Download |
| Niacin
|
BMRB bmse000104 |
Simulation_1 |
400.13 |
Download |
| Nicotine
|
BMRB bmse000105 |
Simulation_1 |
400.13 |
Download |
| N-acetyl-L-glutamine
|
BMRB bmse000145 |
Simulation_1 |
499.84 |
Download |
| N-acetyl-L-alanine
|
BMRB bmse000157 |
Simulation_1 |
400.13 |
Download |
| N-alpha-acetyl-DL-ornithine
|
BMRB bmse000195 |
Simulation_1 |
400.13 |
Download |
| 4-Nitrophenol
|
BMRB bmse000223 |
Simulation_1 |
400.13 |
Download |
| N-N-dimethylglycine
|
BMRB bmse000241 |
Simulation_1 |
400.13 |
Download |
| 4-Nitrophenyl-phosphate
|
BMRB bmse000264 |
Simulation_1 |
400.13 |
Download |
| 4-Nitrocatechol
|
BMRB bmse000265 |
Simulation_1 |
400.13 |
Download |
| Nicotinamide
|
BMRB bmse000281 |
Simulation_1 |
400.13 |
Download |
| N-carbamyl-L-glutamate
|
BMRB bmse000376 |
Simulation_1 |
499.84 |
Download |
| N-Acetyl-L-glutamic-acid
|
BMRB bmse000382 |
Simulation_1 |
499.84 |
Download |
| Norepinephrine
|
BMRB bmse000404 |
Simulation_1 |
499.84 |
Download |
| N-acetyl-L-aspartic-acid
|
BMRB bmse000423 |
Simulation_1 |
499.84 |
Download |
| Ntau-Methyl-L-histidine
|
BMRB bmse000449 |
Simulation_1 |
499.84 |
Download |
| N-acetyl-D-Phenyl-alanine
|
BMRB bmse000479 |
Simulation_1 |
499.84 |
Download |
| 1-Naphthaldehyde
|
BMRB bmse000532 |
Simulation_1 |
499.84 |
Download |
| N-acetylglycine
|
BMRB bmse000610 |
Simulation_1 |
400.13 |
Download |
| Nitrobenzene
|
BMRB bmse000676 |
Simulation_1 |
499.84 |
Download |
| 2-Naphthaldehyde
|
BMRB bmse000679 |
Simulation_1 |
499.84 |
Download |
| N-3-indolylacetyl-L-alanine
|
BMRB bmse000687 |
Simulation_1 |
499.84 |
Download |
| 1-Naphthalenemethanol
|
BMRB bmse000690 |
Simulation_1 |
499.84 |
Download |
| 2-Naphthoic-acid
|
BMRB bmse000693 |
Simulation_1 |
499.84 |
Download |
| N-acetyl-histidine
|
BMRB bmse000707 |
Simulation_1 |
499.84 |
Download |
| Nicotinuric-acid
|
BMRB bmse000708 |
Simulation_1 |
499.84 |
Download |
| N-N-dimethylformamide
|
BMRB bmse000709 |
Simulation_1 |
499.84 |
Download |
| N-2-furoyl-glycine-methyl-ester
|
BMRB bmse000723 |
Simulation_1 |
499.84 |
Download |
| N-methylurea
|
BMRB bmse000738 |
Simulation_1 |
499.84 |
Download |
| N-methyl-L-aspartic-acid
|
BMRB bmse000741 |
Simulation_1 |
499.84 |
Download |
| Neostigmine
|
BMRB bmse000762 |
Simulation_1 |
499.84 |
Download |
| N-acetyl-L-lysine
|
BMRB bmse000830 |
Simulation_1 |
499.84 |
Download |
| Nitrosobenzene
|
BMRB bmse000925 |
Simulation_1 |
499.84 |
Download |
| Nonanal
|
BMRB bmse001108 |
Simulation_1 |
499.84 |
Download |
| N-(4-aminobutyl)acetamide
|
BMRB bmse001133 |
Simulation_1 |
499.84 |
Download |
| N-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N-methylamine
|
Maybridge_Ro3_Fragment_01_C10 |
Simulation_1 |
600.01 |
Download |
| N-methyl-4-(1H-pyrazol-1-ylmethyl)benzylamine
|
Maybridge_Ro3_Fragment_01_E10 |
Simulation_1 |
600.01 |
Download |
| N-methyl-(3-methoxythien-2-yl)methylamine
|
Maybridge_Ro3_Fragment_01_G10 |
Simulation_1 |
600.01 |
Download |
| N1-(2,3-dihydro-1H-inden-5-yl)acetamide
|
Maybridge_Ro3_Fragment_02_B10 |
Simulation_1 |
600.01 |
Download |
| N,N,1,2-tetramethyl-1H-imidazole-4-sulfonamide
|
Maybridge_Ro3_Fragment_02_C05 |
Simulation_1 |
600.01 |
Download |
| N-(2-methoxyphenyl)thiourea
|
Maybridge_Ro3_Fragment_02_C09 |
Simulation_1 |
600.01 |
Download |
| N1-(1-oxo-2,3-dihydro-1H-inden-5-yl)acetamide
|
Maybridge_Ro3_Fragment_02_C10 |
Simulation_1 |
600.01 |
Download |
| N-methyl-N-phenylthiourea
|
Maybridge_Ro3_Fragment_02_D10 |
Simulation_1 |
600.01 |
Download |
| N-methyl-N-(3-pyridylmethyl)amine
|
Maybridge_Ro3_Fragment_02_E09 |
Simulation_1 |
600.01 |
Download |
| N-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]amine
|
Maybridge_Ro3_Fragment_02_H11 |
Simulation_1 |
600.01 |
Download |
| N-methyl-N-[(1-methyl-1H-indol-6-yl)methyl]amine
|
Maybridge_Ro3_Fragment_03_D04 |
Simulation_1 |
600.01 |
Download |
| N-methyl-[6-(2-furyl)pyrid-3-yl]methylamine
|
Maybridge_Ro3_Fragment_03_D06 |
Simulation_1 |
600.01 |
Download |
| N-methyl-(2-thiomorpholinopyrid-4-yl)methylamine
|
Maybridge_Ro3_Fragment_03_F05 |
Simulation_1 |
600.01 |
Download |
| N-methyl-(5-pyrid-4-ylthien-2-yl)methylamine
|
Maybridge_Ro3_Fragment_03_G09 |
Simulation_1 |
600.01 |
Download |
| N-BOC-3-Pyrroline
|
Maybridge_Ro3_Fragment_04_D08 |
Simulation_1 |
600.01 |
Download |
| N-pyridin-3-ylacetamide
|
Maybridge_Ro3_Fragment_04_F08 |
Simulation_1 |
600.01 |
Download |
| N1,N1,N8,N8-tetramethylnaphthalene-1,8-diamine
|
Maybridge_Ro3_Fragment_04_G04 |
Simulation_1 |
600.01 |
Download |
| N1-[3-(ethylamino)-4-methylphenyl]acetamide
|
Maybridge_Ro3_Fragment_05_E07 |
Simulation_1 |
600.01 |
Download |
| N2-[2-(tert-butylthio)ethyl]thiophene-2-carboxamide
|
Maybridge_Ro3_Fragment_05_G02 |
Simulation_1 |
600.01 |
Download |
| N-methyl-N-(4-thien-2-ylbenzyl)amine
|
Maybridge_Ro3_Fragment_06_A02 |
Simulation_1 |
600.01 |
Download |
| N1-(4-cyanophenyl)acetamide
|
Maybridge_Ro3_Fragment_06_C10 |
Simulation_1 |
600.01 |
Download |
| N-Methylaniline
|
Maybridge_Ro3_Fragment_06_D04 |
Simulation_1 |
600.01 |
Download |
| N-(1-benzothien-2-ylmethyl)-N-methylamine hydrochloride
|
Maybridge_Ro3_Fragment_06_E02 |
Simulation_1 |
600.01 |
Download |
| N-Methylbenzothiazole-2-thione
|
Maybridge_Ro3_Fragment_06_E04 |
Simulation_1 |
600.01 |
Download |
| 1-Nitroso-2-naphthol
|
Maybridge_Ro3_Fragment_06_G06 |
Simulation_1 |
600.01 |
Download |
| N1-[4-(allyloxy)phenyl]acetamide
|
Maybridge_Ro3_Fragment_07_A04 |
Simulation_1 |
600.01 |
Download |
| N-methyl-N-(3-pyridin-4-ylbenzyl)amine
|
Maybridge_Ro3_Fragment_07_A11 |
Simulation_1 |
600.01 |
Download |
| N-(4-chlorobenzyl)-N-methylamine
|
Maybridge_Ro3_Fragment_07_F06 |
Simulation_1 |
600.01 |
Download |
| N-{[5-(2-furyl)thien-2-yl]methyl}-N-methylamine
|
Maybridge_Ro3_Fragment_07_F08 |
Simulation_1 |
600.01 |
Download |
| N1-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
|
Maybridge_Ro3_Fragment_07_G07 |
Simulation_1 |
600.01 |
Download |
| N-Benzylethanolamine
|
Maybridge_Ro3_Fragment_08_A08 |
Simulation_1 |
600.01 |
Download |
| N-methyl-N-(4-pyrimidin-5-ylbenzyl)amine
|
Maybridge_Ro3_Fragment_08_A09 |
Simulation_1 |
600.01 |
Download |
| N-(4-pyridyl)thiourea
|
Maybridge_Ro3_Fragment_08_E04 |
Simulation_1 |
600.01 |
Download |
| N-methyl-4-pyrimidin-2-ylbenzylamine
|
Maybridge_Ro3_Fragment_08_F08 |
Simulation_1 |
600.01 |
Download |
| N-(4-fluorobenzyl)urea
|
Maybridge_Ro3_Fragment_08_H05 |
Simulation_1 |
600.01 |
Download |
| N-(4-chlorophenethyl)hydrazine-1-carbothioamide
|
Maybridge_Ro3_Fragment_09_B10 |
Simulation_1 |
600.01 |
Download |
| N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
|
Maybridge_Ro3_Fragment_09_C03 |
Simulation_1 |
600.01 |
Download |
| N-(2,6-dichlorobenzyl)acetamide
|
Maybridge_Ro3_Fragment_09_D06 |
Simulation_1 |
600.01 |
Download |
| N1-(3-fluorophenyl)hydrazine-1-carbothioamide
|
Maybridge_Ro3_Fragment_09_E02 |
Simulation_1 |
600.01 |
Download |
| N4-isopropyl-7-methylthieno[3,2-d]pyrimidin-4-amine
|
Maybridge_Ro3_Fragment_09_F06 |
Simulation_1 |
600.01 |
Download |
| N-{2-[(4-chlorobenzyl)thio]ethyl}-2-furamide
|
Maybridge_Ro3_Fragment_09_F10 |
Simulation_1 |
600.01 |
Download |
| N2-[2-(4-pyridyl)ethyl]thiophene-2-carboxamide
|
Maybridge_Ro3_Fragment_09_F11 |
Simulation_1 |
600.01 |
Download |
| N2-phenyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
|
Maybridge_Ro3_Fragment_09_G04 |
Simulation_1 |
600.01 |
Download |
| N'-methyl-N,N-diphenylurea
|
Maybridge_Ro3_Fragment_09_G07 |
Simulation_1 |
600.01 |
Download |
| N1-(2,4-difluorophenyl)acetamide
|
Maybridge_Ro3_Fragment_09_G11 |
Simulation_1 |
600.01 |
Download |
| N1-(2-cyano-4,6-difluorophenyl)acetamide
|
Maybridge_Ro3_Fragment_09_H11 |
Simulation_1 |
600.01 |
Download |
| N-(2-thienylmethyl)hydrazine-1-carbothioamide
|
Maybridge_Ro3_Fragment_10_A04 |
Simulation_1 |
600.01 |
Download |
| N-phenethyl-2-furamide
|
Maybridge_Ro3_Fragment_10_A05 |
Simulation_1 |
600.01 |
Download |
| N-(4-chlorobenzyl)methanesulfonamide
|
Maybridge_Ro3_Fragment_10_A06 |
Simulation_1 |
600.01 |
Download |
| N1,N1-diethyl-4-methylbenzene-1-sulfonamide
|
Maybridge_Ro3_Fragment_10_B05 |
Simulation_1 |
600.01 |
Download |
| N-(4-fluorobenzyl)-2,2-dimethylhydrazine-1-carbothioamide
|
Maybridge_Ro3_Fragment_10_C02 |
Simulation_1 |
600.01 |
Download |
| N1-(4-methyl-1,3-thiazol-2-yl)acetamide
|
Maybridge_Ro3_Fragment_10_E06 |
Simulation_1 |
600.01 |
Download |
| N-(2-furylmethyl)thiourea
|
Maybridge_Ro3_Fragment_10_F03 |
Simulation_1 |
600.01 |
Download |
| N4-(4-fluorophenyl)isonicotinamide
|
Maybridge_Ro3_Fragment_10_F04 |
Simulation_1 |
600.01 |
Download |
| N1-(2-thienylmethyl)benzene-1-sulfonamide
|
Maybridge_Ro3_Fragment_10_G04 |
Simulation_1 |
600.01 |
Download |
| N-(2-furylmethyl)-N'-isobutylthiourea
|
Maybridge_Ro3_Fragment_10_G11 |
Simulation_1 |
600.01 |
Download |
| N1,N1,4-trimethylbenzene-1-sulfonamide
|
Maybridge_Ro3_Fragment_10_H02 |
Simulation_1 |
600.01 |
Download |
| N-(4-chlorophenyl)methanesulfonamide
|
Maybridge_Ro3_Fragment_10_H04 |
Simulation_1 |
600.01 |
Download |
| N-(4-fluorobenzyl)-4-hydroxybutanamide
|
Maybridge_Ro3_Fragment_10_H05 |
Simulation_1 |
600.01 |
Download |
| N-{[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl}-N-methylamine
|
Maybridge_Ro3_Fragment_11_A08 |
Simulation_1 |
600.01 |
Download |
| N-(1H-indol-3-ylmethyl)-N,N-dimethylamine
|
Maybridge_Ro3_Fragment_11_B03 |
Simulation_1 |
600.01 |
Download |
| N1,N1-diethyl-2-(4-pyridyl)ethan-1-amine
|
Maybridge_Ro3_Fragment_11_B10 |
Simulation_1 |
600.01 |
Download |
| N,N-dimethyl-N'-phenylthiourea
|
Maybridge_Ro3_Fragment_11_C02 |
Simulation_1 |
600.01 |
Download |
| N4-(2-chloro-6-methylphenyl)-4-morpholinecarbothioamide
|
Maybridge_Ro3_Fragment_11_G04 |
Simulation_1 |
600.01 |
Download |
| N3-ethyl-2,5-dichlorothiophene-3-sulfonamide
|
Maybridge_Ro3_Fragment_11_H06 |
Simulation_1 |
600.01 |
Download |
| N1-(2,6-diethylphenyl)hydrazine-1-carbothioamide
|
Maybridge_Ro3_Fragment_12_B09 |
Simulation_1 |
600.01 |
Download |
| N1-(2-oxopropyl)-2-phenylacetamide
|
Maybridge_Ro3_Fragment_12_C04 |
Simulation_1 |
600.01 |
Download |
| N1-(1,3-thiazolan-2-yliden)-2-ethoxyaniline
|
Maybridge_Ro3_Fragment_12_C09 |
Simulation_1 |
600.01 |
Download |
| N'-(2,3-dichlorophenyl)-N,N-dimethylurea
|
Maybridge_Ro3_Fragment_12_C11 |
Simulation_1 |
600.01 |
Download |
| N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide
|
Maybridge_Ro3_Fragment_12_D07 |
Simulation_1 |
600.01 |
Download |
| N-(3,4-dichlorophenyl)acetamide
|
Maybridge_Ro3_Fragment_12_D08 |
Simulation_1 |
600.01 |
Download |
| N,N-di(4-methoxybenzyl)amine
|
Maybridge_Ro3_Fragment_12_E04 |
Simulation_1 |
600.01 |
Download |
| N-(2-chlorophenyl)hydrazine-1-carbothioamide
|
Maybridge_Ro3_Fragment_12_E07 |
Simulation_1 |
600.01 |
Download |
| N-(5-chloro-2-methoxyphenyl)thiourea
|
Maybridge_Ro3_Fragment_12_E09 |
Simulation_1 |
600.01 |
Download |
| N1-[2-(4-pyridyl)ethyl]-3,4-dichlorobenzamide
|
Maybridge_Ro3_Fragment_12_F04 |
Simulation_1 |
600.01 |
Download |
| N-benzyl-N'-methyl-N-(pyridin-3-ylmethyl)thiourea
|
Maybridge_Ro3_Fragment_12_F08 |
Simulation_1 |
600.01 |
Download |
| N1,N1-dimethyl-4-(tert-butyl)benzamide
|
Maybridge_Ro3_Fragment_12_G03 |
Simulation_1 |
600.01 |
Download |
| N-(3-chloro-4-fluorophenyl)thiourea
|
Maybridge_Ro3_Fragment_12_H08 |
Simulation_1 |
600.01 |
Download |
| N1-phenethylhydrazine-1-carbothioamide
|
Maybridge_Ro3_Fragment_13_A02 |
Simulation_1 |
600.01 |
Download |
| O-succinyl-L-homoserine
|
BMRB bmse000058 |
Simulation_1 |
400.13 |
Download |
| Orotate
|
BMRB bmse000283 |
Simulation_1 |
400.13 |
Download |
| O-Phospho-L-serine
|
BMRB bmse000399 |
Simulation_1 |
499.84 |
Download |
| O-Cresol
|
BMRB bmse000433 |
Simulation_1 |
499.84 |
Download |
| O-xylene
|
BMRB bmse000526 |
Simulation_1 |
499.84 |
Download |
| O-tolualdehyde
|
BMRB bmse000556 |
Simulation_1 |
499.84 |
Download |
| O-toluic-acid
|
BMRB bmse000557 |
Simulation_1 |
499.84 |
Download |
| O-phospho-DL-threonine
|
BMRB bmse000631 |
Simulation_1 |
499.84 |
Download |
| O-O-diethyl-thiophosphate
|
BMRB bmse000653 |
Simulation_1 |
499.84 |
Download |
| Octamethylcyclotetrasiloxane
|
BMRB bmse000765 |
Simulation_1 |
499.84 |
Download |
| Orthanilic-acid
|
BMRB bmse000766 |
Simulation_1 |
499.84 |
Download |
| 3-[2-Oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]propanethioamide
|
Maybridge_Ro3_Fragment_05_B03 |
Simulation_1 |
600.01 |
Download |
| 3-[2-Oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]propanenitrile
|
Maybridge_Ro3_Fragment_05_F07 |
Simulation_1 |
600.01 |
Download |
| Phosphoenolpyruvic-acid
|
BMRB bmse000107 |
Simulation_1 |
400.13 |
Download |
| Prephenic-acid
|
BMRB bmse000108 |
Simulation_1 |
400.13 |
Download |
| Putrescine
|
BMRB bmse000109 |
Simulation_1 |
499.84 |
Download |
| Pyridoxal
|
BMRB bmse000110 |
Simulation_1 |
400.13 |
Download |
| Pyridoxal-5-phosphate
|
BMRB bmse000111 |
Simulation_1 |
400.13 |
Download |
| Pyruvic-acid
|
BMRB bmse000112 |
Simulation_1 |
499.84 |
Download |
| Pyridoxamine
|
BMRB bmse000130 |
Simulation_1 |
400.13 |
Download |
| Pyridoxamine-5-phosphate
|
BMRB bmse000131 |
Simulation_1 |
400.13 |
Download |
| Propionic-acid
|
BMRB bmse000179 |
Simulation_1 |
400.13 |
Download |
| Phenylacetic-acid
|
BMRB bmse000220 |
Simulation_1 |
400.13 |
Download |
| Pantothenate
|
BMRB bmse000287 |
Simulation_1 |
400.13 |
Download |
| Pyridoxine
|
BMRB bmse000288 |
Simulation_1 |
400.13 |
Download |
| Phenol
|
BMRB bmse000290 |
Simulation_1 |
400.13 |
Download |
| 1-2-Propanediol
|
BMRB bmse000302 |
Simulation_1 |
499.84 |
Download |
| 1-3-Propanediol
|
BMRB bmse000303 |
Simulation_1 |
499.84 |
Download |
| Pimelic-acid
|
BMRB bmse000354 |
Simulation_1 |
499.84 |
Download |
| P-Anisic-acid
|
BMRB bmse000356 |
Simulation_1 |
499.84 |
Download |
| 2-Propyn-1-ol
|
BMRB bmse000363 |
Simulation_1 |
499.84 |
Download |
| Phenethylamine
|
BMRB bmse000377 |
Simulation_1 |
499.84 |
Download |
| Pyrocatechol
|
BMRB bmse000385 |
Simulation_1 |
499.84 |
Download |
| Phthalic-acid
|
BMRB bmse000391 |
Simulation_1 |
499.84 |
Download |
| P-Toluic-acid
|
BMRB bmse000414 |
Simulation_1 |
499.84 |
Download |
| Phosphonoacetic acid
|
BMRB bmse000418 |
Simulation_1 |
499.84 |
Download |
| Pyridine
|
BMRB bmse000432 |
Simulation_1 |
499.84 |
Download |
| Propanol
|
BMRB bmse000446 |
Simulation_1 |
499.84 |
Download |
| Purine
|
BMRB bmse000454 |
Simulation_1 |
499.84 |
Download |
| P-Cresol
|
BMRB bmse000458 |
Simulation_1 |
499.84 |
Download |
| Phthalaldehydic-acid
|
BMRB bmse000465 |
Simulation_1 |
499.84 |
Download |
| Phenyl-acetate
|
BMRB bmse000481 |
Simulation_1 |
499.84 |
Download |
| P-cymene
|
BMRB bmse000503 |
Simulation_1 |
400.13 |
Download |
| P-tolualdehyde
|
BMRB bmse000527 |
Simulation_1 |
499.84 |
Download |
| Phenanthrene
|
BMRB bmse000560 |
Simulation_1 |
499.84 |
Download |
| Palmitic-acid
|
BMRB bmse000590 |
Simulation_1 |
400.13 |
Download |
| P-coumaric-acid
|
BMRB bmse000591 |
Simulation_1 |
499.84 |
Download |
| P-coumaryl-alcohol
|
BMRB bmse000592 |
Simulation_1 |
499.84 |
Download |
| P-hydroxyacetophenone
|
BMRB bmse000593 |
Simulation_1 |
499.84 |
Download |
| P-coumaraldehyde
|
BMRB bmse000611 |
Simulation_1 |
499.84 |
Download |
| 2-Phenylbutyric-acid
|
BMRB bmse000617 |
Simulation_1 |
499.84 |
Download |
| 3-Pyridine-aldoxime
|
BMRB bmse000621 |
Simulation_1 |
499.84 |
Download |
| 3-Pyridinecarbonitrile
|
BMRB bmse000622 |
Simulation_1 |
499.84 |
Download |
| Phenylacetylglycine
|
BMRB bmse000636 |
Simulation_1 |
499.84 |
Download |
| Phosphonoacetic acid
|
BMRB bmse000637 |
Simulation_1 |
499.84 |
Download |
| Phenylacetylglycine
|
BMRB bmse000658 |
Simulation_1 |
499.84 |
Download |
| 2-Phenylethanol
|
BMRB bmse000659 |
Simulation_1 |
499.84 |
Download |
| Phosphonoacetic-acid
|
BMRB bmse000660 |
Simulation_1 |
499.84 |
Download |
| P-hydroxyacetophenone
|
BMRB bmse000670 |
Simulation_1 |
499.84 |
Download |
| 4-Phenylbutyric-acid
|
BMRB bmse000701 |
Simulation_1 |
499.84 |
Download |
| P-fluorobenzoic-acid
|
BMRB bmse000739 |
Simulation_1 |
499.84 |
Download |
| Phenoxyacetic-acid
|
BMRB bmse000742 |
Simulation_1 |
499.84 |
Download |
| Phenylglyoxylic-acid
|
BMRB bmse000743 |
Simulation_1 |
499.84 |
Download |
| Precocene-1
|
BMRB bmse000754 |
Simulation_1 |
499.84 |
Download |
| Propiolic acid
|
BMRB bmse000767 |
Simulation_1 |
499.84 |
Download |
| Pyromellitic-acid
|
BMRB bmse000771 |
Simulation_1 |
499.84 |
Download |
| P-xylene
|
BMRB bmse000834 |
Simulation_1 |
499.84 |
Download |
| Phthalic-acid-diethyl-ester
|
BMRB bmse000846 |
Simulation_1 |
499.84 |
Download |
| Putrescine (1,4 diaminobutane)
|
BMRB bmse000862 |
Simulation_1 |
600.13 |
Download |
| 4-Pyridoxic-acid
|
BMRB bmse000930 |
Simulation_1 |
499.84 |
Download |
| PENTYL BENZOATE
|
BMRB bmse001104 |
Simulation_1 |
499.84 |
Download |
| 5-Phenylpentanoic acid
|
BMRB bmse001166 |
Simulation_1 |
499.84 |
Download |
| 2-Prop-2-enylphenol
|
BMRB bmse001195 |
Simulation_1 |
499.84 |
Download |
| (4-Pyrid-4-ylphenyl)methanol
|
Maybridge_Ro3_Fragment_01_D08 |
Simulation_1 |
600.01 |
Download |
| 2-Piperazin-1-ylaniline
|
Maybridge_Ro3_Fragment_01_E09 |
Simulation_1 |
600.01 |
Download |
| 5-Phenylthiophene-2-carboxylic acid
|
Maybridge_Ro3_Fragment_01_H05 |
Simulation_1 |
600.01 |
Download |
| (2-Piperidino-3-pyridinyl)methanol
|
Maybridge_Ro3_Fragment_02_B04 |
Simulation_1 |
600.01 |
Download |
| 1-[(Phenylthio)acetyl]piperidine
|
Maybridge_Ro3_Fragment_02_B05 |
Simulation_1 |
600.01 |
Download |
| 4-Phenyl-1H-imidazole
|
Maybridge_Ro3_Fragment_02_D08 |
Simulation_1 |
600.01 |
Download |
| 4-(Pyridin-2-yloxy)benzonitrile
|
Maybridge_Ro3_Fragment_03_B05 |
Simulation_1 |
600.01 |
Download |
| 6-Phenylpyrid-3-ylamine
|
Maybridge_Ro3_Fragment_03_D02 |
Simulation_1 |
600.01 |
Download |
| 4-Piperidinobenzoic acid
|
Maybridge_Ro3_Fragment_03_D03 |
Simulation_1 |
600.01 |
Download |
| 2-Pyrrolidin-1-ylisonicotinonitrile
|
Maybridge_Ro3_Fragment_03_D05 |
Simulation_1 |
600.01 |
Download |
| 5-Propyl-1H-pyrazol-3-ylamine
|
Maybridge_Ro3_Fragment_03_D11 |
Simulation_1 |
600.01 |
Download |
| (2-Pyrrolidin-1-ylphenyl)methylamine
|
Maybridge_Ro3_Fragment_03_E04 |
Simulation_1 |
600.01 |
Download |
| 3-Pyrid-4-ylbenzoic acid
|
Maybridge_Ro3_Fragment_03_G03 |
Simulation_1 |
600.01 |
Download |
| 3-Pyrimidin-2-ylaniline
|
Maybridge_Ro3_Fragment_03_G06 |
Simulation_1 |
600.01 |
Download |
| 4-(Phenoxymethyl)benzoic acid
|
Maybridge_Ro3_Fragment_03_H08 |
Simulation_1 |
600.01 |
Download |
| 2-{5-[2-(Phenylthio)acetyl]-2-thienyl}acetic acid
|
Maybridge_Ro3_Fragment_04_E05 |
Simulation_1 |
600.01 |
Download |
| Pyrrolidine-2-thione
|
Maybridge_Ro3_Fragment_04_H08 |
Simulation_1 |
600.01 |
Download |
| 2-Pyrrolidin-1-yl-1,3-thiazole
|
Maybridge_Ro3_Fragment_04_H09 |
Simulation_1 |
600.01 |
Download |
| 2-Phenoxyacetamide
|
Maybridge_Ro3_Fragment_05_C03 |
Simulation_1 |
600.01 |
Download |
| 2-(Phenylthio)nicotinic acid
|
Maybridge_Ro3_Fragment_05_C09 |
Simulation_1 |
600.01 |
Download |
| 2-Propylphenol
|
Maybridge_Ro3_Fragment_05_D05 |
Simulation_1 |
600.01 |
Download |
| 4-Propoxybenzonitrile
|
Maybridge_Ro3_Fragment_05_H08 |
Simulation_1 |
600.01 |
Download |
| Phenyl carbamate
|
Maybridge_Ro3_Fragment_06_A05 |
Simulation_1 |
600.01 |
Download |
| 4-Phenylpyridine
|
Maybridge_Ro3_Fragment_06_B05 |
Simulation_1 |
600.01 |
Download |
| 2-Pyridinylmethanol
|
Maybridge_Ro3_Fragment_06_C02 |
Simulation_1 |
600.01 |
Download |
| Phenyl sulfone
|
Maybridge_Ro3_Fragment_06_C05 |
Simulation_1 |
600.01 |
Download |
| Phenylurea
|
Maybridge_Ro3_Fragment_06_D05 |
Simulation_1 |
600.01 |
Download |
| Piperazine-2-one
|
Maybridge_Ro3_Fragment_06_E03 |
Simulation_1 |
600.01 |
Download |
| Phthalide
|
Maybridge_Ro3_Fragment_06_E05 |
Simulation_1 |
600.01 |
Download |
| (R)-Phenyl superquat
|
Maybridge_Ro3_Fragment_06_E11 |
Simulation_1 |
600.01 |
Download |
| Pyrrole-2-carboxylic acid
|
Maybridge_Ro3_Fragment_06_F05 |
Simulation_1 |
600.01 |
Download |
| 2-(3-Pyridyl)ethan-1-ol
|
Maybridge_Ro3_Fragment_07_A07 |
Simulation_1 |
600.01 |
Download |
| (2-Pyridin-3-yl-1,3-thiazol-4-yl)methanol
|
Maybridge_Ro3_Fragment_07_A10 |
Simulation_1 |
600.01 |
Download |
| 3-Piperidinobenzoic acid
|
Maybridge_Ro3_Fragment_07_B07 |
Simulation_1 |
600.01 |
Download |
| 4-Pyridin-3-ylaniline
|
Maybridge_Ro3_Fragment_07_C07 |
Simulation_1 |
600.01 |
Download |
| 5-Phenyl-1,3-oxazole
|
Maybridge_Ro3_Fragment_07_D11 |
Simulation_1 |
600.01 |
Download |
| 3-Pyridin-4-ylaniline
|
Maybridge_Ro3_Fragment_07_E07 |
Simulation_1 |
600.01 |
Download |
| 3-Piperidin-1-ylpyridine-2-carbonitrile
|
Maybridge_Ro3_Fragment_07_E08 |
Simulation_1 |
600.01 |
Download |
| 4-Pyrid-3-ylbenzoic acid
|
Maybridge_Ro3_Fragment_07_F07 |
Simulation_1 |
600.01 |
Download |
| (5-Phenylisoxazol-3-yl)methanol
|
Maybridge_Ro3_Fragment_07_F09 |
Simulation_1 |
600.01 |
Download |
| 4-Phenoxybenzoic acid
|
Maybridge_Ro3_Fragment_07_H02 |
Simulation_1 |
600.01 |
Download |
| Pyrazine-2-carbonitrile
|
Maybridge_Ro3_Fragment_08_B04 |
Simulation_1 |
600.01 |
Download |
| (4-Pyrimidin-5-ylphenyl)methanol
|
Maybridge_Ro3_Fragment_08_E02 |
Simulation_1 |
600.01 |
Download |
| Pyrrolidine-1-carbonitrile
|
Maybridge_Ro3_Fragment_08_E03 |
Simulation_1 |
600.01 |
Download |
| (3-Pyrrolidin-1-ylphenyl)methylamine
|
Maybridge_Ro3_Fragment_08_E08 |
Simulation_1 |
600.01 |
Download |
| 1-(Piperidinomethyl)-1H-benzo[d]imidazole
|
Maybridge_Ro3_Fragment_09_H06 |
Simulation_1 |
600.01 |
Download |
| Phenyl thiophene-2-carboxylate
|
Maybridge_Ro3_Fragment_10_B07 |
Simulation_1 |
600.01 |
Download |
| [6-(1-Pyrrolidinyl)-3-pyridinyl]methanol
|
Maybridge_Ro3_Fragment_10_B08 |
Simulation_1 |
600.01 |
Download |
| 4-[2-(Phenylsulfonyl)ethyl]thiomorpholine
|
Maybridge_Ro3_Fragment_10_B11 |
Simulation_1 |
600.01 |
Download |
| 2-Phenyl-2-(1H-pyrrol-1-yl)acetic acid
|
Maybridge_Ro3_Fragment_10_G03 |
Simulation_1 |
600.01 |
Download |
| 6-Phenyl-2,3,4,5-tetrahydropyridazin-3-one
|
Maybridge_Ro3_Fragment_11_A07 |
Simulation_1 |
600.01 |
Download |
| 1-(4-Phenylpiperazino)ethan-1-one
|
Maybridge_Ro3_Fragment_11_G03 |
Simulation_1 |
600.01 |
Download |
| 4-Phenoxyphenol
|
Maybridge_Ro3_Fragment_11_H11 |
Simulation_1 |
600.01 |
Download |
| 2-(Pyridin-2-ylsulfinyl)acetonitrile
|
Maybridge_Ro3_Fragment_12_G04 |
Simulation_1 |
600.01 |
Download |
| 2-(Phenethylthio)acetic acid
|
Maybridge_Ro3_Fragment_12_G08 |
Simulation_1 |
600.01 |
Download |
| 6-Phenoxynicotinonitrile
|
Maybridge_Ro3_Fragment_12_H09 |
Simulation_1 |
600.01 |
Download |
| (S)-3-Phenoxypropane-1,2-diol
|
Maybridge_Ro3_Fragment_13_A05 |
Simulation_1 |
600.01 |
Download |
| Quinaldic-acid
|
BMRB bmse000417 |
Simulation_1 |
499.84 |
Download |
| 6-Quinoxalinamine
|
Maybridge_Ro3_Fragment_01_B06 |
Simulation_1 |
600.01 |
Download |
| Quinolin-2-amine
|
Maybridge_Ro3_Fragment_01_H03 |
Simulation_1 |
600.01 |
Download |
| Quinazoline
|
Maybridge_Ro3_Fragment_06_A07 |
Simulation_1 |
600.01 |
Download |
| Quinoxaline
|
Maybridge_Ro3_Fragment_06_G05 |
Simulation_1 |
600.01 |
Download |
| Quinaldine
|
Maybridge_Ro3_Fragment_08_H07 |
Simulation_1 |
600.01 |
Download |
| R-Lactate
|
BMRB bmse000269 |
Simulation_1 |
400.13 |
Download |
| R-Pantolactone
|
BMRB bmse000381 |
Simulation_1 |
499.84 |
Download |
| Resorcinol
|
BMRB bmse000415 |
Simulation_1 |
499.84 |
Download |
| R-Citramalic-acid
|
BMRB bmse000428 |
Simulation_1 |
499.84 |
Download |
| R-(+)-2-Pyrrolidinone-5-carboxylate
|
BMRB bmse000483 |
Simulation_1 |
499.84 |
Download |
| Rosmarinic-acid
|
BMRB bmse000648 |
Simulation_1 |
400.13 |
Download |
| Rhodanine
|
BMRB bmse000840 |
Simulation_1 |
499.84 |
Download |
| R-(+)-2-Pyrrolidinone-5-carboxylate
|
BMRB bmse000878 |
Simulation_1 |
600.13 |
Download |
| (4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone
|
Maybridge_Ro3_Fragment_06_D11 |
Simulation_1 |
600.01 |
Download |
| Scyllo-inositol
|
BMRB bmse000113 |
Simulation_1 |
400.13 |
Download |
| Shikimic-acid
|
BMRB bmse000114 |
Simulation_1 |
400.13 |
Download |
| Succinic acid disodium salt
|
BMRB bmse000118 |
Simulation_1 |
400.13 |
Download |
| Sucrose
|
BMRB bmse000119 |
Simulation_1 |
600.13 |
Download |
| Sarcosine
|
BMRB bmse000160 |
Simulation_1 |
400.13 |
Download |
| Succinic-acid
|
BMRB bmse000183 |
Simulation_1 |
499.84 |
Download |
| Salicylate
|
BMRB bmse000252 |
Simulation_1 |
400.13 |
Download |
| Selenomethionine
|
BMRB bmse000291 |
Simulation_1 |
400.13 |
Download |
| Sinapic-acid
|
BMRB bmse000318 |
Simulation_1 |
499.84 |
Download |
| Suberic-acid
|
BMRB bmse000378 |
Simulation_1 |
499.84 |
Download |
| Sinapinic-acid
|
BMRB bmse000594 |
Simulation_1 |
499.84 |
Download |
| Syringaldehyde
|
BMRB bmse000595 |
Simulation_1 |
499.84 |
Download |
| Sinapaldehyde
|
BMRB bmse000606 |
Simulation_1 |
499.84 |
Download |
| Syringic-acid
|
BMRB bmse000607 |
Simulation_1 |
499.84 |
Download |
| Sulfoacetic-acid
|
BMRB bmse000632 |
Simulation_1 |
499.84 |
Download |
| Salicylaldehyde
|
BMRB bmse000677 |
Simulation_1 |
499.84 |
Download |
| Sec-butylbenzene
|
BMRB bmse000725 |
Simulation_1 |
499.84 |
Download |
| Sulfanilic-acid
|
BMRB bmse000726 |
Simulation_1 |
499.84 |
Download |
| Serotonin
|
BMRB bmse000757 |
Simulation_1 |
499.84 |
Download |
| Saligenin
|
BMRB bmse000768 |
Simulation_1 |
499.84 |
Download |
| Salicylhydroxamic-acid
|
BMRB bmse000772 |
Simulation_1 |
499.84 |
Download |
| Sucrose
|
BMRB bmse000918 |
Simulation_1 |
600.13 |
Download |
| Succinic acid
|
BMRB bmse000968 |
Simulation_1 |
600.13 |
Download |
| Scopoletin
|
BMRB bmse001129 |
Simulation_1 |
499.84 |
Download |
| 2-(Styrylthio)acetic acid
|
Maybridge_Ro3_Fragment_05_A10 |
Simulation_1 |
600.01 |
Download |
| 3-(Styrylthio)propanoic acid
|
Maybridge_Ro3_Fragment_07_G11 |
Simulation_1 |
600.01 |
Download |
| Trans-3-hydroxycinnamic-acid
|
BMRB bmse000093 |
Simulation_1 |
400.13 |
Download |
| Taurine
|
BMRB bmse000120 |
Simulation_1 |
499.84 |
Download |
| Trans-4-hydroxy-L-proline
|
BMRB bmse000123 |
Simulation_1 |
499.84 |
Download |
| Trans-Cinnamic acid
|
BMRB bmse000124 |
Simulation_1 |
400.13 |
Download |
| Trigonelline
|
BMRB bmse000152 |
Simulation_1 |
400.13 |
Download |
| Trimethyl phosphonoacetate
|
BMRB bmse000156 |
Simulation_1 |
400.13 |
Download |
| Tryptamine
|
BMRB bmse000207 |
Simulation_1 |
400.13 |
Download |
| Trimethylamine
|
BMRB bmse000224 |
Simulation_1 |
400.13 |
Download |
| Tyramine
|
BMRB bmse000243 |
Simulation_1 |
499.84 |
Download |
| Thymidine
|
BMRB bmse000244 |
Simulation_1 |
400.13 |
Download |
| Thiamin
|
BMRB bmse000274 |
Simulation_1 |
400.13 |
Download |
| Trans-2-Hydroxycinnamic-acid
|
BMRB bmse000347 |
Simulation_1 |
499.84 |
Download |
| Triethanolamine
|
BMRB bmse000379 |
Simulation_1 |
499.84 |
Download |
| Tropic-acid
|
BMRB bmse000413 |
Simulation_1 |
499.84 |
Download |
| Trimethylamine-N-oxide
|
BMRB bmse000426 |
Simulation_1 |
499.84 |
Download |
| Trans-trans-Muconic-acid
|
BMRB bmse000463 |
Simulation_1 |
499.84 |
Download |
| Tetrabromobisphenol-A
|
BMRB bmse000567 |
Simulation_1 |
499.84 |
Download |
| 2-4-5-Trichlorophenoxyacetic-acid
|
BMRB bmse000640 |
Simulation_1 |
400.13 |
Download |
| 2-4-6-Trichlorophenol
|
BMRB bmse000678 |
Simulation_1 |
499.84 |
Download |
| Thiamine-monophosphate
|
BMRB bmse000699 |
Simulation_1 |
499.84 |
Download |
| Trans-2-3-dimethylacrylic-acid
|
BMRB bmse000727 |
Simulation_1 |
499.84 |
Download |
| Triethylenetetramine
|
BMRB bmse000773 |
Simulation_1 |
499.84 |
Download |
| Trimethyl Phosphate
|
BMRB bmse000774 |
Simulation_1 |
499.84 |
Download |
| Tributyl-phosphate
|
BMRB bmse000777 |
Simulation_1 |
499.84 |
Download |
| Tetramethylammonium
|
BMRB bmse000780 |
Simulation_1 |
499.84 |
Download |
| Thioacetamide
|
BMRB bmse000781 |
Simulation_1 |
499.84 |
Download |
| 1-2-4-Trichlorobenzene
|
BMRB bmse000841 |
Simulation_1 |
499.84 |
Download |
| 2-Thiophenecarboxylic-acid
|
BMRB bmse000848 |
Simulation_1 |
499.84 |
Download |
| Taurine
|
BMRB bmse000863 |
Simulation_1 |
600.13 |
Download |
| Tyramine
|
BMRB bmse000870 |
Simulation_1 |
600.13 |
Download |
| Thiram
|
BMRB bmse000928 |
Simulation_1 |
499.84 |
Download |
| Trans 4 Hydroxy-L-proline
|
BMRB bmse000966 |
Simulation_1 |
600.13 |
Download |
| 5,10,15,20-Tetraphenyl-21H,23H-porphine zinc
|
BMRB bmse001106 |
Simulation_1 |
499.84 |
Download |
| 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
BMRB bmse001167 |
Simulation_1 |
499.84 |
Download |
| 3,4,5-Trihydroxycyclohexene-1-carboxylic acid
|
BMRB bmse001179 |
Simulation_1 |
499.84 |
Download |
| 2-(2-Thienyl)-1,3-thiazole-4-carboxylic acid
|
Maybridge_Ro3_Fragment_01_A06 |
Simulation_1 |
600.01 |
Download |
| 1,2,3,4-Tetrahydroisoquinoline hydrochloride
|
Maybridge_Ro3_Fragment_01_C03 |
Simulation_1 |
600.01 |
Download |
| (5-Thien-2-yl-1H-pyrazol-3-yl)methanol
|
Maybridge_Ro3_Fragment_01_C09 |
Simulation_1 |
600.01 |
Download |
| 1,3,5-Trimethyl-1H-pyrazole
|
Maybridge_Ro3_Fragment_01_D11 |
Simulation_1 |
600.01 |
Download |
| 3-[5-(Trifluoromethyl)-1H-benzo[d]imidazol-2-yl]propan-1-ol
|
Maybridge_Ro3_Fragment_01_F02 |
Simulation_1 |
600.01 |
Download |
| 4,5,6,7-Tetrahydro-benzo[c]thiophene-1-carboxylic acid
|
Maybridge_Ro3_Fragment_01_H06 |
Simulation_1 |
600.01 |
Download |
| 4-(Thien-2-ylmethyl)benzoic acid
|
Maybridge_Ro3_Fragment_01_H10 |
Simulation_1 |
600.01 |
Download |
| 4-(2-Thienylmethyl)-1lambda~6~,4-thiazinane-1,1-dione
|
Maybridge_Ro3_Fragment_01_H11 |
Simulation_1 |
600.01 |
Download |
| 4-(Trifluoromethyl)pyridine-3-carbothioamide
|
Maybridge_Ro3_Fragment_02_A09 |
Simulation_1 |
600.01 |
Download |
| 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbothioamide
|
Maybridge_Ro3_Fragment_02_B09 |
Simulation_1 |
600.01 |
Download |
| [2-(Trifluoromethyl)phenyl]methanol
|
Maybridge_Ro3_Fragment_02_C07 |
Simulation_1 |
600.01 |
Download |
| 2-{[5-(Trifluoromethyl)-2-pyridyl]oxy}acetonitrile
|
Maybridge_Ro3_Fragment_02_D02 |
Simulation_1 |
600.01 |
Download |
| 5-(Trifluoromethyl)-1,2-benzisoxazol-3-ylamine
|
Maybridge_Ro3_Fragment_02_D05 |
Simulation_1 |
600.01 |
Download |
| 1-{2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl}ethan-1-one
|
Maybridge_Ro3_Fragment_02_F08 |
Simulation_1 |
600.01 |
Download |
| Thieno[3,2-b]thiophene-2-carboxylic acid
|
Maybridge_Ro3_Fragment_02_G07 |
Simulation_1 |
600.01 |
Download |
| [4-(1,3-Thiazol-2-yl)phenyl]methanol
|
Maybridge_Ro3_Fragment_03_B04 |
Simulation_1 |
600.01 |
Download |
| {4-[5-(Trifluoromethyl)pyrid-2-yl]phenyl}methylamine
|
Maybridge_Ro3_Fragment_03_B06 |
Simulation_1 |
600.01 |
Download |
| (2-Thien-2-ylpyrimidin-5-yl)methanol
|
Maybridge_Ro3_Fragment_03_C09 |
Simulation_1 |
600.01 |
Download |
| 1-(Trifluoromethyl)cyclopentane-1-carboxylic acid
|
Maybridge_Ro3_Fragment_03_C11 |
Simulation_1 |
600.01 |
Download |
| (2-Thiomorpholinopyrid-4-yl)methanol
|
Maybridge_Ro3_Fragment_03_E05 |
Simulation_1 |
600.01 |
Download |
| [5-(2-Thienyl)-3-isoxazolyl]methanol
|
Maybridge_Ro3_Fragment_03_F02 |
Simulation_1 |
600.01 |
Download |
| 5-(2-Thienyl)-1,3-oxazole
|
Maybridge_Ro3_Fragment_04_C07 |
Simulation_1 |
600.01 |
Download |
| 2-(2-Thienylsulfonyl)acetonitrile
|
Maybridge_Ro3_Fragment_04_D05 |
Simulation_1 |
600.01 |
Download |
| [4-(Thien-2-ylmethyl)phenyl]methanol
|
Maybridge_Ro3_Fragment_04_F10 |
Simulation_1 |
600.01 |
Download |
| Tert-butyl 2-chloro-1,3-thiazole-5-carboxylate
|
Maybridge_Ro3_Fragment_04_G02 |
Simulation_1 |
600.01 |
Download |
| 1-[6-(Trifluoromethyl)pyridin-2-yl]piperazine
|
Maybridge_Ro3_Fragment_04_H03 |
Simulation_1 |
600.01 |
Download |
| 4-(1,2,3-Thiadiazol-4-yl)benzylamine hydrochloride
|
Maybridge_Ro3_Fragment_04_H06 |
Simulation_1 |
600.01 |
Download |
| 4-[4-(Trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine
|
Maybridge_Ro3_Fragment_05_B07 |
Simulation_1 |
600.01 |
Download |
| 3-(Trifluoromethyl)phenol
|
Maybridge_Ro3_Fragment_05_B10 |
Simulation_1 |
600.01 |
Download |
| 2-{[4-(Trifluoromethyl)-2-pyridyl]oxy}ethan-1-ol
|
Maybridge_Ro3_Fragment_05_C02 |
Simulation_1 |
600.01 |
Download |
| 2-(Trifluoromethoxy)terephthalonitrile
|
Maybridge_Ro3_Fragment_05_C06 |
Simulation_1 |
600.01 |
Download |
| 2-(Trifluoromethoxy)benzoic acid
|
Maybridge_Ro3_Fragment_05_G09 |
Simulation_1 |
600.01 |
Download |
| Tert-butyl 3-aminobenzoate
|
Maybridge_Ro3_Fragment_05_H05 |
Simulation_1 |
600.01 |
Download |
| 4-(Tert-butyl)-1,3-thiazol-2-amine
|
Maybridge_Ro3_Fragment_05_H10 |
Simulation_1 |
600.01 |
Download |
| 4-(Trifluoromethyl)benzyl alcohol
|
Maybridge_Ro3_Fragment_06_B09 |
Simulation_1 |
600.01 |
Download |
| Thieno[2,3-b]pyridine-2-carboxylic acid
|
Maybridge_Ro3_Fragment_06_D02 |
Simulation_1 |
600.01 |
Download |
| 4-(Trifluoromethoxy)phenylacetonitrile
|
Maybridge_Ro3_Fragment_07_C04 |
Simulation_1 |
600.01 |
Download |
| 4-(Trifluoromethyl)nicotinonitrile
|
Maybridge_Ro3_Fragment_07_C11 |
Simulation_1 |
600.01 |
Download |
| 1,3,5-Trimethyl-1H-pyrazol-4-amine
|
Maybridge_Ro3_Fragment_07_D07 |
Simulation_1 |
600.01 |
Download |
| 2-(2-Thienylsulfonyl)ethanethioamide
|
Maybridge_Ro3_Fragment_07_E11 |
Simulation_1 |
600.01 |
Download |
| 2-(2-Thienyl)ethanol
|
Maybridge_Ro3_Fragment_07_F03 |
Simulation_1 |
600.01 |
Download |
| [2-(2-Thienyl)-1,3-thiazol-4-yl]methylamine
|
Maybridge_Ro3_Fragment_07_G06 |
Simulation_1 |
600.01 |
Download |
| 3-Thien-3-ylbenzoic acid
|
Maybridge_Ro3_Fragment_07_H08 |
Simulation_1 |
600.01 |
Download |
| 3-(Trifluoromethyl)-1H-pyrazole
|
Maybridge_Ro3_Fragment_08_C03 |
Simulation_1 |
600.01 |
Download |
| 2-[4-(Trifluoromethoxy)phenyl]acetic acid
|
Maybridge_Ro3_Fragment_08_D06 |
Simulation_1 |
600.01 |
Download |
| 3-(Tert-butyl)-4,5-dihydro-1H-pyrazol-5-one
|
Maybridge_Ro3_Fragment_09_A02 |
Simulation_1 |
600.01 |
Download |
| 3-(Tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one
|
Maybridge_Ro3_Fragment_09_A04 |
Simulation_1 |
600.01 |
Download |
| 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol
|
Maybridge_Ro3_Fragment_09_A08 |
Simulation_1 |
600.01 |
Download |
| 1-{[5-(Trifluoromethyl)-2-pyridyl]thio}acetone
|
Maybridge_Ro3_Fragment_09_B04 |
Simulation_1 |
600.01 |
Download |
| 4,7,8-Trimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
|
Maybridge_Ro3_Fragment_09_D11 |
Simulation_1 |
600.01 |
Download |
| 5-(Trifluoromethyl)-1H-1,2,3-benzotriazole
|
Maybridge_Ro3_Fragment_09_E09 |
Simulation_1 |
600.01 |
Download |
| 1-{[3-(Trifluoromethyl)phenyl]sulfonyl}pyrrolidine
|
Maybridge_Ro3_Fragment_10_A11 |
Simulation_1 |
600.01 |
Download |
| [4-(Trifluoromethoxy)phenyl]methanol
|
Maybridge_Ro3_Fragment_10_B09 |
Simulation_1 |
600.01 |
Download |
| 2-[3-(Trifluoromethyl)phenyl]isothiazol-3(2H)-one
|
Maybridge_Ro3_Fragment_10_G09 |
Simulation_1 |
600.01 |
Download |
| 2-[3-(Trifluoromethyl)phenoxy]acetonitrile
|
Maybridge_Ro3_Fragment_10_H08 |
Simulation_1 |
600.01 |
Download |
| 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-5-ylamine
|
Maybridge_Ro3_Fragment_11_B05 |
Simulation_1 |
600.01 |
Download |
| 5-(Tert-butyl)-2-methyl-3-furoic acid
|
Maybridge_Ro3_Fragment_11_C07 |
Simulation_1 |
600.01 |
Download |
| 1-(2-Thienyl)propan-1-one
|
Maybridge_Ro3_Fragment_11_C11 |
Simulation_1 |
600.01 |
Download |
| 6-(2-Thienyl)-2,3,4,5-tetrahydropyridazin-3-one
|
Maybridge_Ro3_Fragment_11_D03 |
Simulation_1 |
600.01 |
Download |
| 1-[3-(Trifluoromethyl)phenyl]pyrrolidin-2-one
|
Maybridge_Ro3_Fragment_11_D05 |
Simulation_1 |
600.01 |
Download |
| 5-[4-(Trifluoromethyl)anilino]-2,3-dihydro-1,3,4-thiadiazole-2-thione
|
Maybridge_Ro3_Fragment_11_F06 |
Simulation_1 |
600.01 |
Download |
| 4-(Tert-butyl)pyridine
|
Maybridge_Ro3_Fragment_11_F11 |
Simulation_1 |
600.01 |
Download |
| 5-(Tert-butyl)-1,3,5-triazinane-2-thione
|
Maybridge_Ro3_Fragment_11_H04 |
Simulation_1 |
600.01 |
Download |
| 1-{2-[4-(Trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}ethan-1-one
|
Maybridge_Ro3_Fragment_12_B06 |
Simulation_1 |
600.01 |
Download |
| 3,4,6,7-Tetrahydroacridine-1,8(2H,5H)-dione
|
Maybridge_Ro3_Fragment_12_F11 |
Simulation_1 |
600.01 |
Download |
| 5-[(2-Thienylmethyl)amino]-2,3-dihydro-1,3,4-thiadiazole-2-thione
|
Maybridge_Ro3_Fragment_12_H03 |
Simulation_1 |
600.01 |
Download |
| 5-[3-(Trifluoromethyl)phenyl]cyclohexane-1,3-dione
|
Maybridge_Ro3_Fragment_12_H04 |
Simulation_1 |
600.01 |
Download |
| Thiophene-3-carbothioamide
|
Maybridge_Ro3_Fragment_13_B06 |
Simulation_1 |
600.01 |
Download |
| 2-Thioxotetrahydro-1,3-oxazole
|
Maybridge_Ro3_Fragment_13_D03 |
Simulation_1 |
600.01 |
Download |
| Uridine
|
BMRB bmse000158 |
Simulation_1 |
499.84 |
Download |
| Uracil
|
BMRB bmse000187 |
Simulation_1 |
499.84 |
Download |
| Urocanate
|
BMRB bmse000279 |
Simulation_1 |
400.13 |
Download |
| UMP
|
BMRB bmse000280 |
Simulation_1 |
400.13 |
Download |
| 3-Ureidopropionic acid
|
BMRB bmse000333 |
Simulation_1 |
499.84 |
Download |
| Ureidosuccinic-acid
|
BMRB bmse000453 |
Simulation_1 |
499.84 |
Download |
| 3-Ureidopropionic acid
|
BMRB bmse000641 |
Simulation_1 |
400.13 |
Download |
| Uridine
|
BMRB bmse000864 |
Simulation_1 |
600.13 |
Download |
| Uracil
|
BMRB bmse000940 |
Simulation_1 |
600.13 |
Download |
| Vanillin
|
BMRB bmse000343 |
Simulation_1 |
499.84 |
Download |
| Valeric-acid
|
BMRB bmse000345 |
Simulation_1 |
499.84 |
Download |
| Vanillic acid
|
BMRB bmse000486 |
Simulation_1 |
499.84 |
Download |
| Vanillin
|
BMRB bmse000597 |
Simulation_1 |
499.84 |
Download |
| Vanillic acid
|
BMRB bmse000614 |
Simulation_1 |
499.84 |
Download |
| Xanthine
|
BMRB bmse000127 |
Simulation_1 |
400.13 |
Download |
| Xanthosine
|
BMRB bmse000128 |
Simulation_1 |
400.13 |
Download |
| (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
|
BMRB bmse001146 |
Simulation_1 |
499.84 |
Download |