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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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95099130
 
#1

Herbal Ingredients In-Vivo Metabolism: 295
ref: mol2, SDF, SMILES, flexibase
6.66,14.88,-10.31,1,5,0, 552.796, 12
hi: mol2, SDF, SMILES, flexibase
7.24,13.77,-34.37,1,5,-1, 551.788, 12
95099128
 
#2

Herbal Ingredients In-Vivo Metabolism: 295
ref: mol2, SDF, SMILES, flexibase
6.66,15.38,-10.77,1,5,0, 552.796, 12
hi: mol2, SDF, SMILES, flexibase
7.24,13.54,-35.29,1,5,-1, 551.788, 12
95099127
 
#3

Herbal Ingredients In-Vivo Metabolism: 294
ref: mol2, SDF, SMILES, flexibase
6.66,15.07,-10.71,1,5,0, 552.796, 12
hi: mol2, SDF, SMILES, flexibase
7.24,13.76,-34.15,1,5,-1, 551.788, 12
95099125
 
#4

Herbal Ingredients In-Vivo Metabolism: 294
ref: mol2, SDF, SMILES, flexibase
6.66,15.2,-10.31,1,5,0, 552.796, 12
hi: mol2, SDF, SMILES, flexibase
7.24,13.54,-35.03,1,5,-1, 551.788, 12
95099124
 
#5

Herbal Ingredients In-Vivo Metabolism: 293
ref: mol2, SDF, SMILES, flexibase
6.66,14.85,-10,1,5,0, 552.796, 12
hi: mol2, SDF, SMILES, flexibase
7.24,14.83,-31.57,1,5,-1, 551.788, 12
95099122
 
#6

Herbal Ingredients In-Vivo Metabolism: 293
ref: mol2, SDF, SMILES, flexibase
6.66,15.21,-11.65,1,5,0, 552.796, 12
hi: mol2, SDF, SMILES, flexibase
7.24,14.72,-32.14,1,5,-1, 551.788, 12
95099121
 
#7

Herbal Ingredients In-Vivo Metabolism: 292
ref: mol2, SDF, SMILES, flexibase
6.66,14.88,-11.26,1,5,0, 552.796, 12
hi: mol2, SDF, SMILES, flexibase
7.24,13.81,-32.57,1,5,-1, 551.788, 12
95099119
 
#8

Herbal Ingredients In-Vivo Metabolism: 292
ref: mol2, SDF, SMILES, flexibase
6.66,15.37,-9.83,1,5,0, 552.796, 12
hi: mol2, SDF, SMILES, flexibase
7.24,13.76,-32.95,1,5,-1, 551.788, 12
15116063
 
#9

ChemMol: 96706168, 44014170
AK Scientific: X5042
Chembo Pharma: KB-225710
Tractus: TRA0089407
Herbal Ingredients In-Vivo Metabolism: 1328...9 total

ref: mol2, SDF, SMILES, flexibase
0.26,-1.89,-50.04,2,5,-1, 154.101, 1
mid: mol2, SDF, SMILES, flexibase
-0.20,1.08,-78.67,2,5,-1, 154.101, 1
13543254
 
#10

ChemMol: 96707974, 1035713, 30107513, 2001069, 44005977
eMolecules: 45489009
Molport: MolPort-003-713-272
Scientific Exchange (make on demand): F-183489
Acorn PharmaTech: ACN-S003538...107 total

ref: mol2, SDF, SMILES, flexibase
0.89,1.56,-45.79,1,3,-1, 160.152, 0

Similar to: 34521409,
145536
 
#11

ChemMol: 30100535, 96700078, 97800202, 2000278, 30200836, 1036391, 44008587
eMolecules: 522767
Scientific Exchange (make on demand): K-041739
Acorn PharmaTech: ACN-S002762
Acros Organics: CC12801...159 total

ref: mol2, SDF, SMILES, flexibase
1.97,4.99,-46.52,1,3,-1, 160.152, 1

Similar to: 39241269, 39249134, 39258390, 39261225, ... 4 in total.
155996
 
#12

ChemMol: 1035250, 44004665, 30105535
eMolecules: 45489275
Enolase via KEGG (EFI): C12621_1
Molport: MolPort-023-134-755, MolPort-000-886-288
Scientific Exchange (make on demand): F-441724...100 total

ref: mol2, SDF, SMILES, flexibase
1.41,2.49,-50.04,1,3,-1, 163.152, 2

Similar to: 12410372, 22116317, 39258110, 44201286, ... 4 in total.
142380
 
#13

ChemMol: 30115347, 44020560, 42301267
eMolecules: 480804
Molport: MolPort-000-928-821
Scientific Exchange (make on demand): POD_19/0012
Acros Organics: 15864...82 total

ref: mol2, SDF, SMILES, flexibase
2.04,1.01,-48.72,0,3,-1, 174.179, 1

Similar to: 21803838, 32003357, 32003684, 32003689, 32003762, ... 14 in total.
95099670
 
#14

Herbal Ingredients In-Vivo Metabolism: 1278
ref: mol2, SDF, SMILES, flexibase
-2.86,-0.68,-129.37,1,11,-2, 471.465, 6
mid: mol2, SDF, SMILES, flexibase
-2.86,0.63,-151.68,2,11,-1, 472.473, 6
95099669
 
#15

Herbal Ingredients In-Vivo Metabolism: 1278
ref: mol2, SDF, SMILES, flexibase
-2.86,-0.45,-117.69,1,11,-2, 471.465, 6
mid: mol2, SDF, SMILES, flexibase
-2.86,0.82,-140.24,2,11,-1, 472.473, 6
95099668
 
#16

Herbal Ingredients In-Vivo Metabolism: 1277
ref: mol2, SDF, SMILES, flexibase
-0.19,1.81,-86.66,3,8,0, 393.417, 4
mid: mol2, SDF, SMILES, flexibase
-0.19,0.52,-54.58,2,8,-1, 392.409, 4
95099667
 
#17

Herbal Ingredients In-Vivo Metabolism: 1277
ref: mol2, SDF, SMILES, flexibase
-0.19,1.86,-85.65,3,8,0, 393.417, 4
mid: mol2, SDF, SMILES, flexibase
-0.19,0.56,-55.32,2,8,-1, 392.409, 4
95099666
 
#18

Herbal Ingredients In-Vivo Metabolism: 1276
ref: mol2, SDF, SMILES, flexibase
-2.36,-1.79,-141.77,5,14,-1, 568.533, 7
mid: mol2, SDF, SMILES, flexibase
-2.36,-2.65,-125.18,4,14,-2, 567.525, 7
95099665
 
#19

Herbal Ingredients In-Vivo Metabolism: 1276
ref: mol2, SDF, SMILES, flexibase
-2.36,-0.99,-144.57,5,14,-1, 568.533, 7
mid: mol2, SDF, SMILES, flexibase
-2.36,-2.29,-128.02,4,14,-2, 567.525, 7
95099664
 
#20

Herbal Ingredients In-Vivo Metabolism: 1276
ref: mol2, SDF, SMILES, flexibase
-2.36,-0.26,-125.66,5,14,-1, 568.533, 7
mid: mol2, SDF, SMILES, flexibase
-2.36,-1.59,-102.26,4,14,-2, 567.525, 7
95099663
 
#21

Herbal Ingredients In-Vivo Metabolism: 1276
ref: mol2, SDF, SMILES, flexibase
-2.36,0.12,-123.89,5,14,-1, 568.533, 7
mid: mol2, SDF, SMILES, flexibase
-2.36,-1.18,-102.85,4,14,-2, 567.525, 7
95099662
 
#22

Herbal Ingredients In-Vivo Metabolism: 1275
ref: mol2, SDF, SMILES, flexibase
0.11,0.82,-78.84,6,11,0, 489.477, 5
mid: mol2, SDF, SMILES, flexibase
0.11,-0.47,-55.99,5,11,-1, 488.469, 5
95099661
 
#23

Herbal Ingredients In-Vivo Metabolism: 1275
ref: mol2, SDF, SMILES, flexibase
0.11,0.89,-75.56,6,11,0, 489.477, 5
mid: mol2, SDF, SMILES, flexibase
0.11,-0.41,-56.95,5,11,-1, 488.469, 5
95099660
 
#24

Herbal Ingredients In-Vivo Metabolism: 1275
ref: mol2, SDF, SMILES, flexibase
0.11,0.99,-78.23,6,11,0, 489.477, 5
mid: mol2, SDF, SMILES, flexibase
0.11,-0.3,-57.46,5,11,-1, 488.469, 5
95099659
 
#25

Herbal Ingredients In-Vivo Metabolism: 1275
ref: mol2, SDF, SMILES, flexibase
0.11,1.06,-83.21,6,11,0, 489.477, 5
mid: mol2, SDF, SMILES, flexibase
0.11,-0.24,-58.7,5,11,-1, 488.469, 5
95099658
 
#26

Herbal Ingredients In-Vivo Metabolism: 1274
ref: mol2, SDF, SMILES, flexibase
0.08,-0.74,-93.39,6,11,0, 489.477, 5
mid: mol2, SDF, SMILES, flexibase
0.08,-1.57,-61.25,5,11,-1, 488.469, 5
95099657
 
#27

Herbal Ingredients In-Vivo Metabolism: 1274
ref: mol2, SDF, SMILES, flexibase
0.08,0.06,-85.67,6,11,0, 489.477, 5
mid: mol2, SDF, SMILES, flexibase
0.08,-1.24,-53.86,5,11,-1, 488.469, 5
95099656
 
#28

Herbal Ingredients In-Vivo Metabolism: 1274
ref: mol2, SDF, SMILES, flexibase
0.08,0.79,-90.71,6,11,0, 489.477, 5
mid: mol2, SDF, SMILES, flexibase
0.08,-0.53,-52.54,5,11,-1, 488.469, 5
95099655
 
#29

Herbal Ingredients In-Vivo Metabolism: 1274
ref: mol2, SDF, SMILES, flexibase
0.08,1.18,-89.03,6,11,0, 489.477, 5
mid: mol2, SDF, SMILES, flexibase
0.08,-0.13,-53.24,5,11,-1, 488.469, 5
14966500
 
#30

Herbal Ingredients In-Vivo Metabolism: 1085
ref: mol2, SDF, SMILES, flexibase
2.13,5.08,-55.63,2,6,1, 356.398, 2
13451331
 
#31

Herbal Ingredients In-Vivo Metabolism: 1085
ref: mol2, SDF, SMILES, flexibase
2.13,5.05,-53.29,2,6,1, 356.398, 2
95099643
 
#32

Herbal Ingredients In-Vivo Metabolism: 1084
ref: mol2, SDF, SMILES, flexibase
1.82,3.1,-51.1,3,6,1, 342.371, 1
mid: mol2, SDF, SMILES, flexibase
1.82,0.68,-11.75,2,6,0, 341.363, 1
95099642
 
#33

Herbal Ingredients In-Vivo Metabolism: 1084
ref: mol2, SDF, SMILES, flexibase
1.82,3.02,-48.64,3,6,1, 342.371, 1
mid: mol2, SDF, SMILES, flexibase
1.82,0.64,-11.94,2,6,0, 341.363, 1
95099641
 
#34

Herbal Ingredients In-Vivo Metabolism: 1083
ref: mol2, SDF, SMILES, flexibase
2.51,4.26,-52.79,3,5,1, 312.345, 0
mid: mol2, SDF, SMILES, flexibase
2.51,1.9,-10.87,2,5,0, 311.337, 0
95099638
 
#35

Herbal Ingredients In-Vivo Metabolism: 1080
ref: mol2, SDF, SMILES, flexibase
1.82,3.08,-53.23,3,6,1, 342.371, 1
mid: mol2, SDF, SMILES, flexibase
1.82,0.67,-12.59,2,6,0, 341.363, 1
95099637
 
#36

Herbal Ingredients In-Vivo Metabolism: 1080
ref: mol2, SDF, SMILES, flexibase
1.82,3,-50.57,3,6,1, 342.371, 1
mid: mol2, SDF, SMILES, flexibase
1.82,0.62,-12.64,2,6,0, 341.363, 1
95099636
 
#37

Herbal Ingredients In-Vivo Metabolism: 1079
ref: mol2, SDF, SMILES, flexibase
1.50,1.66,-49.58,4,6,1, 344.387, 2
mid: mol2, SDF, SMILES, flexibase
1.50,-0.75,-11.65,3,6,0, 343.379, 2
95099635
 
#38

Herbal Ingredients In-Vivo Metabolism: 1079
ref: mol2, SDF, SMILES, flexibase
1.50,1.57,-47.1,4,6,1, 344.387, 2
mid: mol2, SDF, SMILES, flexibase
1.50,-0.8,-12.08,3,6,0, 343.379, 2
34633488
 
#39

ChemMol: 44027368, 30112950
Molport: MolPort-023-220-062
American Custom Chemicals Corp.: API0013673
APIChem: AC-7460
Ark Pharm Building Blocks: AK-49419...126 total

ref: mol2, SDF, SMILES, flexibase
-2.42,4.74,-137.95,6,13,-2, 457.447, 9
ref: mol2, SDF, SMILES, flexibase
-2.42,5.55,-132.1,7,13,-1, 458.455, 9
mid: mol2, SDF, SMILES, flexibase
-2.42,4.87,-141.93,7,13,-1, 458.455, 9
lo: mol2, SDF, SMILES, flexibase
-2.42,2.8,-80.08,7,13,-1, 458.455, 9
lo: mol2, SDF, SMILES, flexibase
-2.42,2.86,-96.42,8,13,0, 459.463, 9
lo: mol2, SDF, SMILES, flexibase
-2.42,3.54,-85.51,8,13,0, 459.463, 9

Similar to: 31998883, 31998881, 31998878, 31998875, 2005305, ... 12 in total.
13513942
 
#40

AK Scientific: Y1694
American Custom Chemicals Corp.: CHM0014948
Toronto Research Chemicals: T293515
Apollo Scientific (Depleted): BIT3012
ChEMBL12: CHEMBL1236287...73 total

ref: mol2, SDF, SMILES, flexibase
-2.00,0.98,-145.01,7,13,-2, 443.42, 9

Similar to: 34039892, 34039893, 34039894, 34039895, ... 8 in total.
13513943
 
#41

AK Scientific: Y1694
American Custom Chemicals Corp.: CHM0014948
Toronto Research Chemicals: T293515
Apollo Scientific (Depleted): BIT3012
BindingDB.org: 50391006...68 total

ref: mol2, SDF, SMILES, flexibase
-2.00,0.98,-145.17,7,13,-2, 443.42, 9

Similar to: 34039892, 34039893, 34039894, 34039895, ... 8 in total.
120126
 
#42

ChemMol: 44022084
AK Scientific: Z2252
AKOS: AKOS000296800
Apollo Scientific Bioactives: BISC1016
BioSynth: W-204108...42 total

ref: mol2, SDF, SMILES, flexibase
0.10,-1.46,-36.58,1,7,-1, 195.158, 0
ref: mol2, SDF, SMILES, flexibase
-0.39,-1.31,-8.94,0,7,0, 194.15, 0
mid: mol2, SDF, SMILES, flexibase
-0.36,0.37,-10.78,2,7,0, 196.166, 0
95099634
 
#43

Herbal Ingredients In-Vivo Metabolism: 939
ref: mol2, SDF, SMILES, flexibase
1.35,6.44,-53.46,1,6,-1, 410.556, 9
95099633
 
#44

Herbal Ingredients In-Vivo Metabolism: 939
ref: mol2, SDF, SMILES, flexibase
1.35,6.44,-53.55,1,6,-1, 410.556, 9
22061780
 
#45

American Custom Chemicals Corp.: CHM0011871
Tetrahedron Building Blocks: TS76711
Toronto Research Chemicals: K204970
Herbal Ingredients In-Vivo Metabolism: 938
Leadscope via PubChem: LS-143474...8 total

ref: mol2, SDF, SMILES, flexibase
4.47,11.26,-62.61,0,3,-1, 313.417, 5
lo: mol2, SDF, SMILES, flexibase
4.47,10.16,-14.64,1,3,0, 314.425, 5

Similar to: 5763822, 22061777, 13415989,
95099632
 
#46

Herbal Ingredients In-Vivo Metabolism: 937
ref: mol2, SDF, SMILES, flexibase
4.65,8.14,-60.38,1,3,-1, 315.433, 5
lo: mol2, SDF, SMILES, flexibase
4.65,7.57,-9,2,3,0, 316.441, 5
95099631
 
#47

Herbal Ingredients In-Vivo Metabolism: 937
ref: mol2, SDF, SMILES, flexibase
4.65,8.36,-59.52,1,3,-1, 315.433, 5
lo: mol2, SDF, SMILES, flexibase
4.65,7.78,-8.7,2,3,0, 316.441, 5
95099630
 
#48

Herbal Ingredients In-Vivo Metabolism: 936
ref: mol2, SDF, SMILES, flexibase
2.00,6.61,-48.62,1,4,-1, 279.356, 6
lo: mol2, SDF, SMILES, flexibase
2.00,4.63,-11.62,2,4,0, 280.364, 6
95099629
 
#49

Herbal Ingredients In-Vivo Metabolism: 936
ref: mol2, SDF, SMILES, flexibase
2.00,6.62,-48.67,1,4,-1, 279.356, 6
lo: mol2, SDF, SMILES, flexibase
2.00,4.64,-11.7,2,4,0, 280.364, 6
95099622
 
#50

Food Database: FDB029068
Herbal Ingredients In-Vivo Metabolism: 933
ref: mol2, SDF, SMILES, flexibase
4.56,8.27,-56.06,1,3,-1, 315.433, 6
lo: mol2, SDF, SMILES, flexibase
4.56,7.7,-7.38,2,3,0, 316.441, 6
30731379
 
#51

Enolase via KEGG (EFI): C16679_1
Toronto Research Chemicals: H953340
Bovine Metabolome: BMDB12452
Food Database: FDB029068
Herbal Ingredients In-Vivo Metabolism: 932...19 total

ref: mol2, SDF, SMILES, flexibase
4.56,8.49,-53.25,1,3,-1, 315.433, 6
lo: mol2, SDF, SMILES, flexibase
4.56,7.41,-9.72,2,3,0, 316.441, 6
65748226
 
#52

Herbal Ingredients In-Vivo Metabolism: 931
ref: mol2, SDF, SMILES, flexibase
3.97,8.15,-58.74,3,8,-1, 475.558, 8
65748225
 
#53

Herbal Ingredients In-Vivo Metabolism: 931
ref: mol2, SDF, SMILES, flexibase
3.97,8.04,-57.12,3,8,-1, 475.558, 8
65748224
 
#54

Herbal Ingredients In-Vivo Metabolism: 931
ref: mol2, SDF, SMILES, flexibase
3.97,8.87,-64.25,3,8,-1, 475.558, 8
65748223
 
#55

Herbal Ingredients In-Vivo Metabolism: 931
Individual Suppliers: UNNAMED00000334
ref: mol2, SDF, SMILES, flexibase
3.97,8.98,-62.37,3,8,-1, 475.558, 8
4098984
 
#56

BioSynth: W-202656, W-203796, W-201374
Tetrahedron Building Blocks: TS72344
Toronto Research Chemicals: R253500
Bovine Metabolome: BMDB03141
ChEBI: CHEBI:28870...25 total

ref: mol2, SDF, SMILES, flexibase
3.97,-3.36,-51.87,3,8,-1, 475.558, 8

Similar to: 22066361, 22066364, 22066367, 22066370, 22066373, ... 27 in total.
95099620
 
#57

Herbal Ingredients In-Vivo Metabolism: 920
ref: mol2, SDF, SMILES, flexibase
-1.06,3.36,-46.79,4,11,-1, 563.62, 4
95099619
 
#58

Herbal Ingredients In-Vivo Metabolism: 920
ref: mol2, SDF, SMILES, flexibase
-1.06,2.89,-50.25,4,11,-1, 563.62, 4
95099618
 
#59

Herbal Ingredients In-Vivo Metabolism: 919
ref: mol2, SDF, SMILES, flexibase
-0.66,0.31,-53.59,4,8,-1, 435.493, 2
95099617
 
#60

Herbal Ingredients In-Vivo Metabolism: 919
ref: mol2, SDF, SMILES, flexibase
-0.66,0.85,-53.17,4,8,-1, 435.493, 2
95099616
 
#61

Herbal Ingredients In-Vivo Metabolism: 919
ref: mol2, SDF, SMILES, flexibase
-0.66,-0.19,-51.7,4,8,-1, 435.493, 2
95099614
 
#62

Herbal Ingredients In-Vivo Metabolism: 919
ref: mol2, SDF, SMILES, flexibase
-0.66,0.42,-52.48,4,8,-1, 435.493, 2
95099598
 
#63

Herbal Ingredients In-Vivo Metabolism: 901
ref: mol2, SDF, SMILES, flexibase
2.42,5.89,-51.37,2,5,-1, 375.485, 2
95099595
 
#64

Herbal Ingredients In-Vivo Metabolism: 901
ref: mol2, SDF, SMILES, flexibase
2.42,5.24,-60.04,2,5,-1, 375.485, 2
95099594
 
#65

Herbal Ingredients In-Vivo Metabolism: 901
ref: mol2, SDF, SMILES, flexibase
2.42,6.59,-52.1,2,5,-1, 375.485, 2
95099592
 
#66

Herbal Ingredients In-Vivo Metabolism: 901
ref: mol2, SDF, SMILES, flexibase
2.42,5.64,-59.53,2,5,-1, 375.485, 2
95099590
 
#67

Herbal Ingredients In-Vivo Metabolism: 900
ref: mol2, SDF, SMILES, flexibase
2.96,6.59,-56.49,2,5,-1, 403.539, 4
lo: mol2, SDF, SMILES, flexibase
2.96,4.62,-17.73,3,5,0, 404.547, 4
95099588
 
#68

Herbal Ingredients In-Vivo Metabolism: 900
ref: mol2, SDF, SMILES, flexibase
2.96,6.55,-52.09,2,5,-1, 403.539, 4
lo: mol2, SDF, SMILES, flexibase
2.96,4.58,-15.64,3,5,0, 404.547, 4
95099586
 
#69

Herbal Ingredients In-Vivo Metabolism: 900
ref: mol2, SDF, SMILES, flexibase
2.96,7.02,-55.96,2,5,-1, 403.539, 4
lo: mol2, SDF, SMILES, flexibase
2.96,5.05,-14.82,3,5,0, 404.547, 4
95099584
 
#70

Herbal Ingredients In-Vivo Metabolism: 900
ref: mol2, SDF, SMILES, flexibase
2.96,6.96,-63.98,2,5,-1, 403.539, 4
lo: mol2, SDF, SMILES, flexibase
2.96,4.99,-16.05,3,5,0, 404.547, 4
95099582
 
#71

Biocyc via PubChem: CPD-12452
Herbal Ingredients In-Vivo Metabolism: 899
ref: mol2, SDF, SMILES, flexibase
3.15,6.6,-55.72,2,5,-1, 405.555, 4
lo: mol2, SDF, SMILES, flexibase
3.15,4.62,-15.89,3,5,0, 406.563, 4
95099580
 
#72

Herbal Ingredients In-Vivo Metabolism: 899
ref: mol2, SDF, SMILES, flexibase
3.15,6.57,-51.34,2,5,-1, 405.555, 4
lo: mol2, SDF, SMILES, flexibase
3.15,4.59,-13.85,3,5,0, 406.563, 4
95099578
 
#73

Biocyc via PubChem: CPD-12452
Herbal Ingredients In-Vivo Metabolism: 899
ref: mol2, SDF, SMILES, flexibase
3.15,6.98,-54.84,2,5,-1, 405.555, 4
lo: mol2, SDF, SMILES, flexibase
3.15,5.01,-12.69,3,5,0, 406.563, 4
95099577
 
#74

Herbal Ingredients In-Vivo Metabolism: 899
ref: mol2, SDF, SMILES, flexibase
3.15,6.92,-63.6,2,5,-1, 405.555, 4
lo: mol2, SDF, SMILES, flexibase
3.15,4.92,-13.92,3,5,0, 406.563, 4
4095619
 
#75

Herbal Ingredients In-Vivo Metabolism: 897
KEGG via PubChem: C01292
KEGG-C via PubChem: C01292
PubChem: 9953164, 439472
ref: mol2, SDF, SMILES, flexibase
3.15,-2.7,-52.15,2,5,-1, 405.555, 4

Similar to: 4264908, 4264911, 4264913, 4264915, 4293089, ... 26 in total.
4095618
 
#76

AKOS: AKOS004908961
MolMall (Depleted): 8214
MolMall (formerly Molecular Diversity Preservation International): 18292
Herbal Ingredients In-Vivo Metabolism: 897
KEGG via PubChem: C01292...11 total

ref: mol2, SDF, SMILES, flexibase
3.15,-2.45,-58.26,2,5,-1, 405.555, 4

Similar to: 4095619, 4096487, 4264908, 4264911, 4264913, ... 67 in total.
4095617
 
#77

Herbal Ingredients In-Vivo Metabolism: 897
KEGG via PubChem: C01292
KEGG-C via PubChem: C01292
PubChem: 439472
ref: mol2, SDF, SMILES, flexibase
3.15,-2.59,-53.49,2,5,-1, 405.555, 4

Similar to: 4095618, 4264908, 4264911, 4264913, 4264915, ... 26 in total.
4095616
 
#78

Herbal Ingredients In-Vivo Metabolism: 897
KEGG via PubChem: C01292
KEGG-C via PubChem: C01292
PubChem: 439472
ref: mol2, SDF, SMILES, flexibase
3.15,-2.87,-53.44,2,5,-1, 405.555, 4

Similar to: 4095618, 4264908, 4264911, 4264913, 4264915, ... 26 in total.
95099569
 
#79

Herbal Ingredients In-Vivo Metabolism: 896
ref: mol2, SDF, SMILES, flexibase
2.23,7.45,-65.59,1,5,-1, 373.469, 2
95099568
 
#80

Herbal Ingredients In-Vivo Metabolism: 896
ref: mol2, SDF, SMILES, flexibase
2.23,7.62,-61.13,1,5,-1, 373.469, 2
95099566
 
#81

Herbal Ingredients In-Vivo Metabolism: 896
ref: mol2, SDF, SMILES, flexibase
2.23,7.47,-58.87,1,5,-1, 373.469, 2
95099565
 
#82

Herbal Ingredients In-Vivo Metabolism: 896
ref: mol2, SDF, SMILES, flexibase
2.23,7.48,-62.31,1,5,-1, 373.469, 2
95099564
 
#83

Herbal Ingredients In-Vivo Metabolism: 895
ref: mol2, SDF, SMILES, flexibase
1.73,7.59,-62.16,1,5,-1, 371.453, 2
95099563
 
#84

Herbal Ingredients In-Vivo Metabolism: 895
ref: mol2, SDF, SMILES, flexibase
1.73,7.83,-57.11,1,5,-1, 371.453, 2
95099562
 
#85

Herbal Ingredients In-Vivo Metabolism: 895
ref: mol2, SDF, SMILES, flexibase
1.73,7.56,-53.04,1,5,-1, 371.453, 2
95099560
 
#86

Herbal Ingredients In-Vivo Metabolism: 895
ref: mol2, SDF, SMILES, flexibase
1.73,7.63,-59.13,1,5,-1, 371.453, 2
95099559
 
#87

Herbal Ingredients In-Vivo Metabolism: 894
ref: mol2, SDF, SMILES, flexibase
2.64,10.66,-62.59,0,4,-1, 355.454, 2
95099558
 
#88

Herbal Ingredients In-Vivo Metabolism: 894
ref: mol2, SDF, SMILES, flexibase
2.64,10.9,-57.89,0,4,-1, 355.454, 2
95099556
 
#89

Herbal Ingredients In-Vivo Metabolism: 894
ref: mol2, SDF, SMILES, flexibase
2.64,10.64,-54.08,0,4,-1, 355.454, 2
95099554
 
#90

Herbal Ingredients In-Vivo Metabolism: 894
ref: mol2, SDF, SMILES, flexibase
2.64,10.7,-59.54,0,4,-1, 355.454, 2
95099544
 
#91

Herbal Ingredients In-Vivo Metabolism: 845
ref: mol2, SDF, SMILES, flexibase
3.33,4.18,-50.14,1,5,-1, 309.297, 4
mid: mol2, SDF, SMILES, flexibase
3.33,3.39,-14.67,2,5,0, 310.305, 4
95099513
 
#92

Herbal Ingredients In-Vivo Metabolism: 832
ref: mol2, SDF, SMILES, flexibase
2.77,1.48,-53.53,5,10,-1, 527.546, 9
95099512
 
#93

Herbal Ingredients In-Vivo Metabolism: 832
ref: mol2, SDF, SMILES, flexibase
2.77,1.94,-51.58,5,10,-1, 527.546, 9
95099509
 
#94

Herbal Ingredients In-Vivo Metabolism: 832
ref: mol2, SDF, SMILES, flexibase
2.77,2.68,-58.05,5,10,-1, 527.546, 9
95099507
 
#95

Herbal Ingredients In-Vivo Metabolism: 832
ref: mol2, SDF, SMILES, flexibase
2.77,2.48,-56.56,5,10,-1, 527.546, 9
95099489
 
#96

Herbal Ingredients In-Vivo Metabolism: 779
ref: mol2, SDF, SMILES, flexibase
2.53,8.68,-50.98,0,3,-1, 219.26, 6
lo: mol2, SDF, SMILES, flexibase
2.53,6.63,-11.43,1,3,0, 220.268, 6
156346
 
#97

ChemMol: 30201052, 44012553
Enolase via KEGG (EFI): C11457_1
AKOS: AKOS000172844
Aldrich CPR: PH011597|ALDRICH
Alfa-Aesar: L01279...70 total

ref: mol2, SDF, SMILES, flexibase
1.38,2.87,-47.31,1,3,-1, 165.168, 3

Similar to: 6091356,
14504288
 
#98

eMolecules: 41255262
Molport: MolPort-023-313-358
Ark Pharm Building Blocks: AK-72696
Enamine Building Blocks: EN300-112940
Ryan Scientific BB: 047-82375...14 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.44,-47.65,1,3,-1, 193.222, 5
82164067
 
#99

eMolecules: 42481013
Molport: MolPort-023-313-434
Enamine Building Blocks: EN300-113445
Ryan Scientific BB: 047-82581
Food Database: FDB029855...12 total

ref: mol2, SDF, SMILES, flexibase
1.69,3.27,-47.74,2,4,-1, 209.221, 5
lo: mol2, SDF, SMILES, flexibase
1.69,1.29,-10.33,3,4,0, 210.229, 5
77286342
 
#100

Toronto Research Chemicals: D103525
Herbal Ingredients In-Vivo Metabolism: 744
ref: mol2, SDF, SMILES, flexibase
-1.76,-0.57,-101.57,3,13,-2, 508.413, 6

Old detail retrieval took 2 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 721 ) limit 0,100

Smiles were