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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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967566
 
#1

ChemMol: 30107840
eMolecules: 495316
Molport: MolPort-003-929-343
TCM Database @ Taiwan: tcm03_002957, 25869, tcm03_001425
Acros Organics: 11034...149 total

ref: mol2, SDF, SMILES, flexibase
2.72,5.23,-1.88,0,1,0, 154.253, 0

Similar to: 4096021, 5858463, 6358137, 6358141, 6358832, ... 104 in total.
895330
 
#2

ChemMol: 30202787, 97602693, 44020197, 30116664, 42301143, 80101390, 30103209, 44003113, 44027454
eMolecules: 711444
Enolase via KEGG (EFI): C00643_2
Molport: MolPort-002-507-275
Scientific Exchange (make on demand): F-137671...222 total

ref: mol2, SDF, SMILES, flexibase
-1.58,1.2,-34.71,5,5,0, 220.228, 3
hi: mol2, SDF, SMILES, flexibase
-1.58,0.89,-50.08,4,5,-1, 219.22, 3

Similar to: 5843989, 6091494, 32189073, 34349830, 34349831, ... 8 in total.
18279942
 
#3

ChemMol: 44015060
Enolase via KEGG (EFI): C00864_1
Molport: MolPort-006-069-411
TCM Database @ Taiwan: 31950
Acros Organics: 24330...295 total

ref: mol2, SDF, SMILES, flexibase
-1.18,-0.81,-48.19,3,6,-1, 218.229, 6

Similar to: 5356918,
19203125
 
#4

ChemMol: 30107318, 44015060, 44001426, 30100962
Enolase via KEGG (EFI): C00864_2
Molport: MolPort-006-069-411
TCM Database @ Taiwan: tcm03_008913
AK Scientific: K012...200 total

ref: mol2, SDF, SMILES, flexibase
-1.18,-0.92,-48.11,3,6,-1, 218.229, 6

Similar to: 5356918,
5456939
 
#5

American Custom Chemicals Corp.: API0005793
Angene Building Blocks: AGN-PC-0RVCQ7
Anward: ANW-41281
Toronto Research Chemicals: R245030
ChEBI: CHEBI:15036...29 total

ref: mol2, SDF, SMILES, flexibase
5.80,3.39,-52.01,0,2,-1, 299.434, 5

Similar to: 8613746, 9212654, 12484958, 22066351, 33943508, ... 17 in total.
9302201
 
#6

Anward: ANW-41281
ChEBI: CHEBI:15036
ChemDB: 7603171, 3968889
DrugBank-approved: DB00755
DrugBank-nutriceuticals: DB00755...26 total

ref: mol2, SDF, SMILES, flexibase
5.80,3.22,-54.89,0,2,-1, 299.434, 5

Similar to: 12484958, 22066351, 33943508, 33995986, 34962021, ... 17 in total.
9212654
 
#7

Angene Building Blocks: AGN-PC-0RVCQ7
Anward: ANW-41281
ChEBI: CHEBI:15036
ChemDB: 3968889, 7603171
DrugBank-approved: DB00755...26 total

ref: mol2, SDF, SMILES, flexibase
5.80,3.41,-52.8,0,2,-1, 299.434, 5

Similar to: 9302201, 12358651, 12484958, 22066351, 33943508, ... 21 in total.
12484958
 
#8

Anward: ANW-41281
ChEBI: CHEBI:15036
ChemDB: 3968889, 7603171
DrugBank-approved: DB00755
DrugBank-nutriceuticals: DB00755...24 total

ref: mol2, SDF, SMILES, flexibase
5.80,11.22,-51.48,0,2,-1, 299.434, 5

Similar to: 33943508, 33995986, 34962017, 34962019, 34962021, ... 18 in total.
1795
 
#9

ChemMol: 1032494, 96703685, 30114423, 1201369, 44008663
eMolecules: 2743743, 503323
TCM Database @ Taiwan: tcm03_006270
A&J Pharmtech: AJ-00393
Acros Organics: 12829...441 total

ref: mol2, SDF, SMILES, flexibase
0.27,3.29,-45.83,0,3,-1, 122.103, 1
lo: mol2, SDF, SMILES, flexibase
0.27,3.74,-46.83,1,3,0, 123.111, 1
1532556
 
#10

ChemMol: 44010125, 1201569, 44035253, 30101780, 30116909, 30202631
eMolecules: 478690
Enolase via KEGG (EFI): C00152_2
Molport: MolPort-002-317-304
Scientific Exchange (make on demand): F-415837...411 total

ref: mol2, SDF, SMILES, flexibase
-2.81,-5.19,-36.13,5,5,0, 132.119, 3

Similar to: 5158069, 1529313,
882
 
#11

Amidohydrolase AH-EFI: Adenine
ChemMol: 96700838, 30103320, 96700496, 30111040, 44001390, 96700516, 42303016, 1032197, 30102591, 30111039, 44022092, 30113463, 30100934
eMolecules: 474936, 30079506
L99A/M102Q non-binders: ADENINE-SULPHATE-DIH
Molport: MolPort-003-925-179...610 total

ref: mol2, SDF, SMILES, flexibase
0.24,2.02,-9.53,3,5,0, 135.13, 0
895360
 
#12

ChemMol: 30202667, 83600706, 30116941, 1201581, 30101097, 44012878
eMolecules: 484372, 524642
Enolase via KEGG (EFI): C00148_2
Molport: MolPort-027-837-861
Scientific Exchange (make on demand): F-415679...617 total

ref: mol2, SDF, SMILES, flexibase
-1.72,2.43,-35.08,2,3,0, 115.132, 1
18456332
 
#13

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: L924...249 total

ref: mol2, SDF, SMILES, flexibase
-3.54,-2.46,-364.46,4,18,-4, 503.15, 8
ref: mol2, SDF, SMILES, flexibase
-3.54,-3.61,-227.01,5,18,-3, 504.158, 8
mid: mol2, SDF, SMILES, flexibase
-3.54,-3.61,-227.24,5,18,-3, 504.158, 8

Similar to: 25762745, 25762748, 40164335,
1532132
 
#14

ChemMol: 44002431, 30102078
eMolecules: 478847, 722407
Enolase via KEGG (EFI): C11045_4
Molport: MolPort-001-792-024
Acros Organics: 22865...246 total

ref: mol2, SDF, SMILES, flexibase
-0.55,4.37,-37.85,4,7,0, 294.307, 8
hi: mol2, SDF, SMILES, flexibase
-0.55,4.05,-50.28,3,7,-1, 293.299, 8

Similar to: 39640642, 39640644, 39640646,
3581355
 
#15

ChemMol: 30116930, 30202568, 1201570, 83600311
eMolecules: 495885
Enolase via KEGG (EFI): C00407_4
Molport: MolPort-001-780-215
Acros Organics: 16617...416 total

ref: mol2, SDF, SMILES, flexibase
-1.41,2.19,-37.86,3,3,0, 131.175, 3

Similar to: 6411857, 6411872, 6412359, 6412396, 34569039, ... 7 in total.
1532729
 
#16

ChemMol: 30113591, 30103964, 44003653
eMolecules: 524889
Enolase via KEGG (EFI): C00725_2
Molport: MolPort-023-220-633, MolPort-002-461-878
Acros Organics: 13872...185 total

ref: mol2, SDF, SMILES, flexibase
2.25,8.46,-48.23,0,2,-1, 205.324, 5
lo: mol2, SDF, SMILES, flexibase
2.25,6.48,-10.28,1,2,0, 206.332, 5

Similar to: 1544807, 22060223, 22060226, 38436332, ... 4 in total.
1544807
 
#17

ChemMol: 1030495, 30103964, 30113592, 44003653, 30101034
eMolecules: 523380
Enolase via KEGG (EFI): C00725_1
Molport: MolPort-002-461-878, MolPort-023-220-633
TCM Database @ Taiwan: tcm03_004934...220 total

ref: mol2, SDF, SMILES, flexibase
2.25,8.4,-47.34,0,2,-1, 205.324, 5
lo: mol2, SDF, SMILES, flexibase
2.25,6.42,-9.4,1,2,0, 206.332, 5

Similar to: 22060223, 22060226, 38436332,
895099
 
#18

ChemMol: 97800980, 30116948, 30202762, 44010787, 30200593
eMolecules: 514157, 514495
Enolase via KEGG (EFI): C00183_2
TCM Database @ Taiwan: 47857
Acros Organics: SB00755...768 total

ref: mol2, SDF, SMILES, flexibase
-1.91,-1.67,-41.78,3,3,0, 117.148, 2

Similar to: 164935,
4658553
 
#19

ChemMol: 30103859, 44012873, 44010701, 83600708, 30202399, 30109240, 30200579, 44003592
eMolecules: 476060, 476064
Enolase via KEGG (EFI): C00041_2
Molport: MolPort-001-573-589, MolPort-000-871-636
Scientific Exchange (make on demand): M-179233...529 total

ref: mol2, SDF, SMILES, flexibase
-2.69,0.21,-39.21,3,3,0, 89.094, 1
hi: mol2, SDF, SMILES, flexibase
-2.69,-0.11,-43.06,2,3,-1, 88.086, 1
4474603
 
#20

Enolase via KEGG (EFI): C06428_1
American Custom Chemicals Corp.: CRB0000845
Anward: ANW-41675
BOC Sciences BB: 10417-94-4
Cayman Chemical: 90110...102 total

ref: mol2, SDF, SMILES, flexibase
5.40,14.61,-44.22,0,2,-1, 301.45, 13
lo: mol2, SDF, SMILES, flexibase
5.40,12.63,-6.05,1,2,0, 302.458, 13

Similar to: 5447613, 13507111, 13507113, 28342223, 33820299, ... 14 in total.
18456289
 
#21

Amidohydrolase AH-EFI: Folate
ChemMol: 30101549
eMolecules: 984032, 884420
Molport: MolPort-001-684-168, MolPort-004-527-329, MolPort-004-285-551, MolPort-023-220-147
Scientific Exchange (make on demand): Z-001853...435 total

ref: mol2, SDF, SMILES, flexibase
-2.37,4.29,-128.65,5,13,-2, 439.388, 9
hi: mol2, SDF, SMILES, flexibase
-1.91,2.11,-174.25,4,13,-3, 438.38, 9
lo: mol2, SDF, SMILES, flexibase
-2.37,2.32,-71.85,6,13,-1, 440.396, 9

Similar to: 31538946, 31949794, 33753214, 33999421, 38515816, ... 13 in total.
895103
 
#22

ChemMol: 30101199, 30201377
eMolecules: 532410, 594831
Enolase via KEGG (EFI): C00188_2
Molport: MolPort-001-780-280
Scientific Exchange (make on demand): F-415596...344 total

ref: mol2, SDF, SMILES, flexibase
-3.30,-2.11,-39.77,4,4,0, 119.12, 2
hi: mol2, SDF, SMILES, flexibase
-3.30,-2.39,-45.14,3,4,-1, 118.112, 2

Similar to: 2389623,
1532614
 
#23

ChemMol: 30103373, 44003193
eMolecules: 884088
Enolase via KEGG (EFI): C00327_2
Molport: MolPort-001-788-348
TCM Database @ Taiwan: tcm03_001486...199 total

ref: mol2, SDF, SMILES, flexibase
-3.43,-2.65,-49.6,6,6,0, 175.188, 5
hi: mol2, SDF, SMILES, flexibase
3.07,5.73,-3.36,0,1,0, 175.275, 1

Similar to: 2166829, 34480258,
4521470
 
#24

Enolase via KEGG (EFI): C03242_1
BOC Sciences BB: 1783-84-2
Cayman Chemical: 90020
Element Store BB: b2star-1783-84-2
Sigma Aldrich (Building Blocks): E4504|SIGMA...54 total

ref: mol2, SDF, SMILES, flexibase
7.14,15.22,-43.69,0,2,-1, 305.482, 15
lo: mol2, SDF, SMILES, flexibase
7.14,13.24,-5.49,1,2,0, 306.49, 15

Similar to: 4543555, 4543724, 4543732, 4543779, 4544257, ... 44 in total.
895042
 
#25

ChemMol: 30102500, 30200577, 30202432
eMolecules: 484930, 505558
Enolase via KEGG (EFI): C00097_1
Molport: MolPort-001-573-588, MolPort-001-573-586
Scientific Exchange (make on demand): M-179230...585 total

ref: mol2, SDF, SMILES, flexibase
-2.71,-3.15,-36.35,3,3,0, 121.161, 2
hi: mol2, SDF, SMILES, flexibase
-2.71,-4.11,-53.68,3,3,-1, 120.153, 2

Similar to: 5829567, 5830180,
83315
 
#26

ChemMol: 30201390, 1201553, 30101858, 83601374, 83600703
eMolecules: 484485, 533030
Enolase via KEGG (EFI): C00078_2
Molport: MolPort-001-018-010
Scientific Exchange (make on demand): Z-001872...817 total

ref: mol2, SDF, SMILES, flexibase
-1.08,4.08,-32.56,4,4,0, 204.229, 3
hi: mol2, SDF, SMILES, flexibase
-1.08,3.78,-48.1,3,4,-1, 203.221, 3

Similar to: 3649943, 6094000, 6567326, 6567537, 32158330, ... 17 in total.
3645145
 
#27

ChemMol: 30202606, 30116929
eMolecules: 499483
Enolase via KEGG (EFI): C00123_2
Molport: MolPort-027-834-996, MolPort-001-792-018
Scientific Exchange (make on demand): F-393709...627 total

ref: mol2, SDF, SMILES, flexibase
-1.38,2.28,-37.79,3,3,0, 131.175, 3

Similar to: 34569047, 34569049, 34569053,
3861770
 
#28

ChemMol: 30104336
eMolecules: 494174
Enolase via KEGG (EFI): C00300_1
Molport: MolPort-023-221-307, MolPort-001-785-682
TCM Database @ Taiwan: tcm03_001700...222 total

ref: mol2, SDF, SMILES, flexibase
-2.25,-1.63,-41.1,4,5,0, 131.135, 3

Similar to: 5845498,
4658552
 
#29

ChemMol: 44002469, 30200578, 44006916
eMolecules: 483675
Enolase via KEGG (EFI): C00037_1
Molport: MolPort-023-221-938, MolPort-003-936-530, MolPort-020-000-695, MolPort-004-450-985
TCM Database @ Taiwan: tcm03_003486...915 total

ref: mol2, SDF, SMILES, flexibase
-2.55,-0.44,-40.12,3,3,0, 75.067, 1
hi: mol2, SDF, SMILES, flexibase
-2.55,-0.82,-42.26,2,3,-1, 74.059, 1
12495103
 
#30

ChemDB: 7969636
DrugBank-approved: DB00144
DrugBank-nutriceuticals: DB00144
HMDB Drug: HMDB14291
HMDB Food: HMDB14291...13 total

ref: mol2, SDF, SMILES, flexibase
-2.65,5.22,-75.58,3,11,-1, 384.298, 15

Similar to: 14768381, 14768384, 12484909,
12484909
 
#31

ChemDB: 7969636
DrugBank-approved: DB00144
DrugBank-nutriceuticals: DB00144
HMDB Drug: HMDB14291
HMDB Food: HMDB14291...16 total

ref: mol2, SDF, SMILES, flexibase
-2.65,5.24,-76.23,3,11,-1, 384.298, 15

Similar to: 12495103, 14768381, 14768384,
3830891
 
#32

ChemMol: 30104935, 44004329
eMolecules: 515159, 747254
Enolase via KEGG (EFI): C00051_2
Molport: MolPort-005-935-487
Acros Organics: 12000...354 total

ref: mol2, SDF, SMILES, flexibase
-4.97,-0.38,-79.69,5,9,-1, 306.32, 9
hi: mol2, SDF, SMILES, flexibase
-4.97,-0.7,-93.89,4,9,-2, 305.312, 9
hi: mol2, SDF, SMILES, flexibase
2.30,6.24,-93.26,7,7,2, 440.498, 4

Similar to: 5887912, 31542924, 31542934, 31542939, ... 4 in total.
1482113
 
#33

ChemMol: 1030766, 44012507, 30116970, 30101197, 30200548
eMolecules: 498263, 477277
Enolase via KEGG (EFI): C00025_2
Molport: MolPort-019-903-834, MolPort-002-130-089, MolPort-001-779-720
Scientific Exchange (make on demand): R-064261...974 total

ref: mol2, SDF, SMILES, flexibase
-3.25,1.74,-73.91,3,5,-1, 146.122, 4

Similar to: 33836585,
895030
 
#34

eMolecules: 481572
Enolase via KEGG (EFI): C00042_1
TCM Database @ Taiwan: tcm03_007963, 26056
Acros Organics: 15874, 20874, 21955
AK Scientific: I847...840 total

ref: mol2, SDF, SMILES, flexibase
-0.65,3.54,-101.06,0,4,-2, 116.072, 3
mid: mol2, SDF, SMILES, flexibase
-0.65,1.56,-42.51,1,4,-1, 117.08, 3
1532673
 
#35

ChemMol: 30101096, 44011316, 44032232, 30200499
eMolecules: 496151
Enolase via KEGG (EFI): C00491_1
Glutathione Transferrase GST-EFI: Cystine_(cysteine_disulfide)
Molport: MolPort-001-779-797...343 total

ref: mol2, SDF, SMILES, flexibase
-4.86,2.26,-62.06,6,6,0, 240.306, 7
hi: mol2, SDF, SMILES, flexibase
-4.86,1.97,-65.23,5,6,-1, 239.298, 7
hi: mol2, SDF, SMILES, flexibase
-4.86,1.67,-91.3,4,6,-2, 238.29, 7

Similar to: 1721731, 3651000, 5828993, 5829515, 5830151, ... 9 in total.
266964
 
#36

ChemMol: 83600704, 30202788, 44009543, 30116957, 30101198
eMolecules: 514474, 482111
Enolase via KEGG (EFI): C00082_2
Molport: MolPort-001-780-010
TCM Database @ Taiwan: 27365...941 total

ref: mol2, SDF, SMILES, flexibase
-1.71,1.17,-36.43,4,4,0, 181.191, 3

Similar to: 6506148, 34027650, 34027706, 34218425, 34218426, ... 10 in total.
1532529
 
#37

ChemMol: 44001299, 30202621
eMolecules: 495925
Enolase via KEGG (EFI): C00073_2
Molport: MolPort-000-928-154
Acros Organics: 12565...667 total

ref: mol2, SDF, SMILES, flexibase
-2.24,2.24,-40.54,3,3,0, 149.215, 4
hi: mol2, SDF, SMILES, flexibase
-2.24,1.91,-44.84,2,3,-1, 148.207, 4

Similar to: 1532766, 34380709,
895034
 
#38

ChemMol: 30202727, 30200580, 44010120, 30116944, 44004677, 83600707
eMolecules: 514205, 514387
Enolase via KEGG (EFI): C00065_2
Molport: MolPort-001-573-587
Scientific Exchange (make on demand): M-179231...466 total

ref: mol2, SDF, SMILES, flexibase
-3.67,-3.07,-34.14,4,4,0, 105.093, 2
hi: mol2, SDF, SMILES, flexibase
-3.67,-3.4,-42.43,3,4,-1, 104.085, 2
3802189
 
#39

Enolase via KEGG (EFI): C06427_1
TCM Database @ Taiwan: 26179, tcm03_004930
Acros Organics: 30282
AK Scientific: M621
American Custom Chemicals Corp.: API0003181...162 total

ref: mol2, SDF, SMILES, flexibase
5.84,13.66,-43.79,0,2,-1, 277.428, 13
lo: mol2, SDF, SMILES, flexibase
5.84,11.68,-5.61,1,2,0, 278.436, 13

Similar to: 4474613, 4521470, 4543555, 4543724, 4543779, ... 39 in total.
3860156
 
#40

Amidohydrolase AH-EFI: Adenosinemonophospha
ChemMol: 30107494, 30102074, 44005966
eMolecules: 49241723, 43047588, 29370212
Haloacid dehalogenase HAD-EFI: 3860156
Molport: MolPort-003-925-190...425 total

ref: mol2, SDF, SMILES, flexibase
-1.52,-2.18,-140.94,4,12,-2, 345.208, 4
mid: mol2, SDF, SMILES, flexibase
-1.52,-3.34,-50.9,5,12,-1, 346.216, 4

Similar to: 3977897, 4806442, 31519907, 33790129, 33790130, ... 10 in total.
1532526
 
#41

ChemMol: 30116920, 30200582, 44008151
eMolecules: 514487
Enolase via KEGG (EFI): C00064_2
Molport: MolPort-001-786-509
Scientific Exchange (make on demand): F-415836...542 total

ref: mol2, SDF, SMILES, flexibase
-3.76,-2.13,-50.63,5,5,0, 146.146, 4
hi: mol2, SDF, SMILES, flexibase
-3.76,-2.45,-53.15,4,5,-1, 145.138, 4

Similar to: 1532609,
1532530
 
#42

ChemMol: 1201769, 30103374, 30202656, 30112915, 30117063, 44003192
eMolecules: 530211, 592955
Enolase via KEGG (EFI): C00077_2
Molport: MolPort-002-317-339, MolPort-003-910-927, MolPort-003-958-892
TCM Database @ Taiwan: tcm03_006506...398 total

ref: mol2, SDF, SMILES, flexibase
-3.69,-0.84,-89.95,6,4,1, 133.171, 4
hi: mol2, SDF, SMILES, flexibase
-3.69,-1.15,-65.17,5,4,0, 132.163, 4

Similar to: 1532678,
895032
 
#43

ChemMol: 83600699, 44009544, 1030693, 30200581, 30202476, 44012875
eMolecules: 478712, 478747
Enolase via KEGG (EFI): C00049_2
Molport: MolPort-020-002-518, MolPort-001-781-456
Acros Organics: 10503...702 total

ref: mol2, SDF, SMILES, flexibase
-3.52,1,-52.73,3,5,-1, 132.095, 3
lo: mol2, SDF, SMILES, flexibase
-3.52,-1.01,-32.41,4,5,0, 133.103, 3
1532734
 
#44

Acros Organics: 13275
AK Scientific: V5045
AKOS: AKOS015845172
Alfa-Aesar: L19562
Anward: ANW-26936...215 total

ref: mol2, SDF, SMILES, flexibase
-2.13,0.14,-262.68,10,4,4, 206.378, 11
mid: mol2, SDF, SMILES, flexibase
-2.13,-0.24,-176.35,9,4,3, 205.37, 11
mid: mol2, SDF, SMILES, flexibase
-2.13,-1.2,-164.19,9,4,3, 205.37, 11
hi: mol2, SDF, SMILES, flexibase
-2.13,-0.62,-97.52,8,4,2, 204.362, 11
hi: mol2, SDF, SMILES, flexibase
-2.13,-1.59,-88.23,8,4,2, 204.362, 11

Similar to: 3581040, 3581247, 1532612,
14438802
 
#45

ChemMol: 30102577, 44002722, 83601129
eMolecules: 731007, 206922301
Molport: MolPort-001-510-438, MolPort-002-507-101
Scientific Exchange (make on demand): POD_10/0455
TCM Database @ Taiwan: 26843...333 total

ref: mol2, SDF, SMILES, flexibase
-4.12,-5.47,-13.37,2,6,0, 175.116, 2
mid: mol2, SDF, SMILES, flexibase
-4.12,-5.29,-11.31,3,6,0, 176.124, 2
mid: mol2, SDF, SMILES, flexibase
-2.12,-8.69,-10.68,4,6,0, 176.124, 2
mid: mol2, SDF, SMILES, flexibase
-2.69,-6.42,-13.07,3,6,0, 175.116, 2
mid: mol2, SDF, SMILES, flexibase
-1.40,-6.58,-42.81,3,6,-1, 175.116, 2
hi: mol2, SDF, SMILES, flexibase
-0.93,-8.02,-141.02,3,6,-2, 174.108, 2
hi: mol2, SDF, SMILES, flexibase
-4.12,-4.62,-15.59,2,6,0, 175.116, 2
lo: mol2, SDF, SMILES, flexibase
-4.12,-5.56,-13.55,3,6,0, 176.124, 2
lo: mol2, SDF, SMILES, flexibase
-4.12,-6.39,-11.42,3,6,0, 176.124, 2
lo: mol2, SDF, SMILES, flexibase
-4.12,-4.62,-12.33,3,6,0, 176.124, 2
lo: mol2, SDF, SMILES, flexibase
-4.12,-5.84,-11.47,3,6,0, 176.124, 2

Similar to: 34345461, 34345462, 39017381,
1532525
 
#46

ChemMol: 44006602, 30117010, 44002285, 30104734, 1201835, 30202711, 30101911, 1030664
eMolecules: 3718009, 476877
Enolase via KEGG (EFI): C00062_2
Molport: MolPort-001-779-889, MolPort-002-914-791, MolPort-023-220-205
Acros Organics: 44602...699 total

ref: mol2, SDF, SMILES, flexibase
-3.63,0.33,-74.97,8,6,1, 175.212, 6
hi: mol2, SDF, SMILES, flexibase
3.64,10.11,-7.64,0,2,0, 328.209, 1

Similar to: 1532749,
1532522
 
#47

ChemMol: 30117009, 1030676, 30201380, 44010647, 30103926, 30200584
eMolecules: 508245, 524856
Enolase via KEGG (EFI): C00047_2
Molport: MolPort-002-328-770, MolPort-001-779-975
Acros Organics: 12522...1097 total

ref: mol2, SDF, SMILES, flexibase
-3.18,-0.05,-85.42,6,4,1, 147.198, 5

Similar to: 1532731, 31350483, 31350484, 31350487, 31350489, ... 5 in total.
3830316
 
#48

ChemMol: 96700126, 83600231, 44002999, 30103000, 30107645
eMolecules: 984048, 481810
Enolase via KEGG (EFI): C00120_6
Molport: MolPort-001-788-412
Scientific Exchange (make on demand): POD_10/0412...450 total

ref: mol2, SDF, SMILES, flexibase
0.76,3.51,-56.36,2,5,-1, 243.308, 5
lo: mol2, SDF, SMILES, flexibase
0.76,1.53,-16.74,3,5,0, 244.316, 5

Similar to: 5192442, 5192451, 5851657, 6293264, 6293267, ... 16 in total.
105196
 
#49

ChemMol: 44010766, 30201376, 30114483, 30101196, 83600162, 30200590, 1030004
eMolecules: 482306, 514492
Enolase via KEGG (EFI): C00079_2
Molport: MolPort-001-780-018
Scientific Exchange (make on demand): X-067970...1078 total

ref: mol2, SDF, SMILES, flexibase
-1.23,4.02,-34.63,3,3,0, 165.192, 3

Similar to: 6096518, 31502219, 39643233, 39643234, ... 5 in total.
1532517
 
#50

ChemMol: 44006060, 44013962
eMolecules: 478132
TCM Database @ Taiwan: tcm03_007173, 45048
Acros Organics: 13214
AK Scientific: I876...331 total

ref: mol2, SDF, SMILES, flexibase
-0.90,2.73,-41.42,0,3,-1, 87.054, 1
4228231
 
#51

ChemMol: 30107420, 44030482, 30200599, 44005927
AK Scientific: 4265AB, 1800AB, X4863
AKOS: AKOS015919772
Angene Building Blocks: AGN-PC-0W778F, AGN-PC-0SCGVY
Apexmol Building Blocks: AM84912...222 total

ref: mol2, SDF, SMILES, flexibase
-5.01,0.79,-51.2,7,11,0, 399.453, 7
hi: mol2, SDF, SMILES, flexibase
-5.01,0.49,-69.43,6,11,0, 398.445, 7
hi: mol2, SDF, SMILES, flexibase
2.62,5.08,-1.97,0,0,0, 126.139, 0

Similar to: 12371978, 12371979, 12371980, 12494917, 12494924, ... 35 in total.
6661227
 
#52

ChemMol: 44011429, 30202547
eMolecules: 518145, 712832
Enolase via KEGG (EFI): C00135_2
Molport: MolPort-009-193-260, MolPort-001-779-923, MolPort-004-946-873, MolPort-003-913-419
Acros Organics: 16615...881 total

ref: mol2, SDF, SMILES, flexibase
-3.00,1.48,-37.85,4,5,0, 155.157, 3
lo: mol2, SDF, SMILES, flexibase
-3.00,1.96,-79.54,5,5,1, 156.165, 3

Similar to: 6661404, 18274816, 19014871, 31520176, 31542513, ... 14 in total.
13513942
 
#53

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
 
#54

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.
1532514
 
#55

eMolecules: 1988700
Haloacid dehalogenase HAD-EFI: 1532514
Acros Organics: 22817
AK Scientific: X6777, N728
Alfa-Aesar: A12323...131 total

ref: mol2, SDF, SMILES, flexibase
-0.76,0.89,-129.43,1,7,-2, 245.127, 4
mid: mol2, SDF, SMILES, flexibase
-0.76,-0.27,-42.2,2,7,-1, 246.135, 4
hi: mol2, SDF, SMILES, flexibase
-0.76,1.89,-195.99,0,7,-3, 244.119, 4

Similar to: 6520374, 31976982,
3785276
 
#56

Anward: ANW-41676
Cayman Chemical: 10008884
Indofine: 30-2005-90
J&K Chemical: A01627155
MicroSource Pharmakon: 01300030...45 total

ref: mol2, SDF, SMILES, flexibase
6.08,15.63,-5.46,0,2,0, 330.512, 15

Similar to: 4533786, 11616611, 11616612, 11616613, 33838841, ... 11 in total.
53683694
 
#57

DrugBank-nutriceuticals: DB06747
PubChem: 46937025
ref: mol2, SDF, SMILES, flexibase
-2.35,1.81,-15.37,3,10,0, 424.402, 1

Similar to: 40762150, 40762147, 8214957,
53683690
 
#58

DrugBank-nutriceuticals: DB06747
PubChem: 46937025
ref: mol2, SDF, SMILES, flexibase
-2.35,-0.55,-15.58,3,10,0, 424.402, 1

Similar to: 43920053, 43920055, 36184562, 36184563, 40762150, ... 7 in total.
8552018
 
#59

TCM Database @ Taiwan: 38133
AnalytiCon Discovery NP (Depleted): NP-015544
ChEMBL12: CHEMBL23574
ChEMBL19: CHEMBL2112172
Collaborative Drug Discovery: 1028906...12 total

ref: mol2, SDF, SMILES, flexibase
-2.38,-3.51,-22.89,3,10,0, 424.402, 1

Similar to: 36184562, 36184563, 38147268, 38147269, 38147270, ... 12 in total.
28536264
 
#60

MedChem Express: HY-N0785
ChEMBL12: CHEMBL24169
ChEMBL19: CHEMBL2112173
DrugBank-nutriceuticals: DB06745
IUPHAR Database: 1863...12 total

ref: mol2, SDF, SMILES, flexibase
-3.29,-1.15,-27.55,4,11,0, 440.401, 1
hi: mol2, SDF, SMILES, flexibase
-3.29,1.12,-30.6,3,11,0, 439.393, 1

Similar to: 36184566,
8552017
 
#61

eMolecules: 46574343, 36554845
AnalytiCon Discovery NP: NP-010076
BioSynth: Q-100180
IBScreen Bioactives: Bio-0905
IBScreen NP: STOCK1N-66695...25 total

ref: mol2, SDF, SMILES, flexibase
-2.38,-3.74,-19.56,3,10,0, 424.402, 1

Similar to: 8679999, 8680000, 8680001, 8680002, 31970581, ... 15 in total.
4245650
 
#62

eMolecules: 37153264
Molport: MolPort-019-937-240, MolPort-002-534-231
TCM Database @ Taiwan: tcm03_003352
AK Scientific: V0723
American Custom Chemicals Corp.: API0002827...71 total

ref: mol2, SDF, SMILES, flexibase
-1.46,3.05,-20.09,2,9,0, 408.403, 1

Similar to: 8552016, 8552017, 8829466, 13813126, 13813129, ... 23 in total.
3921872
 
#63

ChemMol: 30113627, 30111606, 97900692
Active BioPharma: 1479
AK Scientific: O763
APIChem: AC-8064, AC-4696
BioSynth: Q-200778...99 total

ref: mol2, SDF, SMILES, flexibase
4.59,7.65,-4.99,3,3,0, 412.614, 5

Similar to: 3936584, 3939042, 4212295, 4654793, 5734624, ... 31 in total.
3807917
 
#64

ChemMol: 30100413, 44016233
Molport: MolPort-002-527-265, MolPort-003-929-763
TCM Database @ Taiwan: 39089
Acros Organics: 15498
AKOS: AKOS015995299...153 total

ref: mol2, SDF, SMILES, flexibase
3.25,6.94,-6.17,1,2,0, 288.431, 0

Similar to: 3882018, 3882019, 3882020, 3882021, 3977900, ... 64 in total.
12484965
 
#65

ChemMol: 44002333
Boerchem Pharmatech BB: BC204153
Bosche Scientific: H0014
EndoTherm: EN75
FineTech: FT-0602913...77 total

ref: mol2, SDF, SMILES, flexibase
6.76,10.23,-3.75,2,2,0, 400.647, 6

Similar to: 38791795, 3776232, 3790758, 3790762, 3799897, ... 10 in total.
4428372
 
#66

Ark Pharm Building Blocks: AK162392
BioSynth: Q-102802
Bosche Scientific: N2500
Fragmenta: EST005
IBScreen Bioactives: Bio-0636...24 total

ref: mol2, SDF, SMILES, flexibase
2.82,9.24,-11.43,0,2,0, 272.388, 0
ref: mol2, SDF, SMILES, flexibase
2.82,9.3,-9.3,0,2,0, 272.388, 0

Similar to: 16028035, 16028039, 17005484, 32220216, 32220217, ... 26 in total.
4097415
 
#67

ChemDB: 6918099
DrugBank-nutriceuticals: DB01322
PubChem: 441299, 5281052
ref: mol2, SDF, SMILES, flexibase
2.18,2.25,-10.17,0,3,0, 232.279, 3

Similar to: 31970585, 31970587, 4097414,
4097414
 
#68

ChemDB: 6918099
DrugBank-nutriceuticals: DB01322
PubChem: 441299, 5281052
ref: mol2, SDF, SMILES, flexibase
2.18,2.35,-10.65,0,3,0, 232.279, 3

Similar to: 4097415, 31970585, 31970587,
57060
 
#69

ChemMol: 97900269, 2000004, 30100018, 44000020
eMolecules: 510958
Scientific Exchange (make on demand): K-041755
Acros Organics: 12536
Active BioPharma: 467...191 total

ref: mol2, SDF, SMILES, flexibase
1.45,3.62,-14.46,2,4,0, 232.283, 4
lo: mol2, SDF, SMILES, flexibase
1.11,3.72,-41.44,2,4,1, 233.291, 4
lo: mol2, SDF, SMILES, flexibase
1.11,3.72,-41.43,2,4,1, 233.291, 4

Similar to: 3634694, 3641511, 3650703, 3662013, 32198176, ... 10 in total.
34781704
 
#70

ChemMol: 30100925, 97901231, 44006075, 30113599, 2101363, 44002265, 30106916, 30101878, 30104941, 97602839, 44001372
eMolecules: 2723827, 2735330, 901680
Molport: MolPort-002-507-842, MolPort-002-885-817
Acorn PharmaTech: ACN-S002003
ACT Chemical BB: ACT04766...378 total

ref: mol2, SDF, SMILES, flexibase
3.68,9.08,-5.9,0,3,0, 321.829, 4

Similar to: 41844213, 41844216, 41844258, 41844260, 41844278, ... 11 in total.
4214738
 
#71

AK Scientific: X4863, 4265AB, 1800AB
Angene Building Blocks: AGN-PC-0W778F, AGN-PC-0SCGVY
Apexmol Building Blocks: AM84912
APIChem: AC-19717
Ark Pharm Building Blocks: AK-75883...105 total

30320649
 
#72

MedChem Express: HY-F0001
Sigma Aldrich (Building Blocks): N6005|SIGMA, N1161|SIGMA, N8129|SIGMA
Toronto Research Chemicals: N201480
Biocyc via PubChem: NADH
BMRB via PubChem: bmse000054...24 total

lo: mol2, SDF, SMILES, flexibase
-5.46,-7.7,-144.18,8,21,-1, 664.438, 11
1677
 
#73

ChemMol: 80101300, 44010758
eMolecules: 513358
Scientific Exchange (make on demand): X-047721
TCM Database @ Taiwan: tcm03_005776
Acros Organics: 12718...209 total

ref: mol2, SDF, SMILES, flexibase
2.04,5.73,-6.36,0,2,0, 172.183, 0

Similar to: 3063275,
49154
 
#74

ChemMol: 44007000, 44003635, 30108643, 30101836, 44002241, 30103941
eMolecules: 593675, 513510, 10469423
Molport: MolPort-005-970-692, MolPort-002-137-856
TCM Database @ Taiwan: tcm03_007165
Acros Organics: 15077...354 total

ref: mol2, SDF, SMILES, flexibase
-0.55,-4.67,-9.01,3,4,0, 169.18, 2
mid: mol2, SDF, SMILES, flexibase
-0.55,-4.25,-28.78,4,4,1, 170.188, 2
hi: mol2, SDF, SMILES, flexibase
-0.55,-3.9,-45.3,2,4,-1, 168.172, 2
lo: mol2, SDF, SMILES, flexibase
-0.55,-3.49,-23.81,3,4,0, 169.18, 2

Similar to: 32208574, 39240007, 39385911,
4095858
 
#75

TCM Database @ Taiwan: 25817, 47217
Acros Organics: 42103
AK Scientific: M349
AKOS: AKOS004910417
Alfa-Aesar: A17039...328 total

ref: mol2, SDF, SMILES, flexibase
9.04,15.89,-4.63,1,2,0, 430.717, 12

Similar to: 5765114, 5765115, 5921400, 9213625, 31356698, ... 32 in total.
33955641
 
#76

Element Store BB: b2star-68-26-8
ChEBI: CHEBI:50211
ChemDB: 3969039
DrugBank-approved: DB00162
DrugBank-nutriceuticals: DB00162...32 total

ref: mol2, SDF, SMILES, flexibase
5.92,9.81,-3.68,1,1,0, 286.459, 5

Similar to: 34431188, 34457678, 34457679, 34521722, 36469003, ... 17 in total.
12484934
 
#77

Element Store BB: b2star-68-26-8
ChEBI: CHEBI:50211
ChemDB: 3969039
DrugBank-approved: DB00162
DrugBank-nutriceuticals: DB00162...30 total

ref: mol2, SDF, SMILES, flexibase
5.92,9.03,-3.09,1,1,0, 286.459, 5

Similar to: 12484942, 12496764, 12496767, 12496774, 22061499, ... 31 in total.
8637880
 
#78

Element Store BB: b2star-68-26-8
ChEBI: CHEBI:50211
ChemDB: 3969039
DrugBank-approved: DB00162
DrugBank-nutriceuticals: DB00162...30 total

ref: mol2, SDF, SMILES, flexibase
5.92,1.57,-3.3,1,1,0, 286.459, 5

Similar to: 11592544, 12484934, 12484942, 12496764, 12496767, ... 29 in total.
38657182
 
#79

Element Store BB: b2star-68-26-8
ChEBI: CHEBI:50211
ChemDB: 3969039
DrugBank-approved: DB00162
DrugBank-nutriceuticals: DB00162...29 total

ref: mol2, SDF, SMILES, flexibase
5.92,9.07,-2.89,1,1,0, 286.459, 5

Similar to: 36469003, 36469004, 34457678, 34457679, 34521722, ... 7 in total.
31356870
 
#80

ChemMol: 44002892, 30102837
eMolecules: 25692850
Molport: MolPort-002-526-645
Acros Organics: 42263
Aldrich CPR: R204331|ALDRICH...125 total

ref: mol2, SDF, SMILES, flexibase
7.42,14.04,-2.32,1,1,0, 396.659, 5

Similar to: 3978003, 4245638, 4474571, 4492862, 4492863, ... 9 in total.
49153
 
#81

ChemMol: 30101550, 44002308, 30103074, 30101935
eMolecules: 1180877
Molport: MolPort-005-934-321
TCM Database @ Taiwan: tcm03_008400, tcm03_008909
Acros Organics: 14899...512 total

ref: mol2, SDF, SMILES, flexibase
-3.45,2.52,-31.62,3,5,1, 265.362, 4
lo: mol2, SDF, SMILES, flexibase
-3.45,2.98,-89.37,4,5,2, 266.37, 4

Similar to: 3652493, 3652495, 5159729, 34645390, 39240009, ... 5 in total.
120249
 
#82

ChemMol: 44032218, 83601421
eMolecules: 493579, 1012333
Molport: MolPort-002-137-858
Acros Organics: 35271
AK Scientific: X5958...174 total

ref: mol2, SDF, SMILES, flexibase
-0.09,-0.93,-10.61,2,4,0, 167.164, 2
hi: mol2, SDF, SMILES, flexibase
-0.09,0.07,-47.79,1,4,-1, 166.156, 2

Similar to: 6520362,
4474414
 
#83

ChemMol: 44002334, 44006565
Apollo Scientific Bioactives: BISC1029
BioSynth: W-201718
BOC Sciences BB: 19356-17-3
Boerchem Pharmatech BB: BC204154...118 total

ref: mol2, SDF, SMILES, flexibase
6.47,10.28,-3.95,2,2,0, 400.647, 6

Similar to: 44830200, 44830203, 3830353, 3830354, 3830355, ... 11 in total.
2077807
 
#84

ChemMol: 83600904, 42300765
eMolecules: 902159
Molport: MolPort-002-506-942
TCM Database @ Taiwan: 28637
Alfa-Aesar: A13047...105 total

ref: mol2, SDF, SMILES, flexibase
-3.08,-7.88,-17.31,5,7,0, 221.209, 6

Similar to: 3649967, 4523240, 4523242, 4533798, 5167490, ... 19 in total.
2036848
 
#85

ChemMol: 30101593
eMolecules: 594077
Molport: MolPort-003-934-329, MolPort-001-785-965
Scientific Exchange (make on demand): POD_59/0269
TCM Database @ Taiwan: tcm03_007351...266 total

ref: mol2, SDF, SMILES, flexibase
-0.76,-5.52,-24.21,5,10,0, 376.369, 5

Similar to: 3647620, 3649541, 3649884, 3650034, 3650334, ... 20 in total.
14879961
 
#86

BioSynth: Q-100115
Toronto Research Chemicals: X742002
ChEMBL19: CHEMBL1979448
Collaborative Drug Discovery: 46401
DrugBank-approved: DB00137...17 total

ref: mol2, SDF, SMILES, flexibase
9.31,18.97,-6.39,2,2,0, 568.886, 10

Similar to: 40164368, 40164369, 40164412, 40164427, 40164432, ... 11 in total.
8221225
 
#87

TCM Database @ Taiwan: 26576
Sigma Aldrich (Building Blocks): X6250|SIGMA
Toronto Research Chemicals: X742002, X742000
Biocyc via PubChem: CPD1F-119
Bovine Metabolome: BMDB03233...44 total

ref: mol2, SDF, SMILES, flexibase
9.31,19.09,-8.95,2,2,0, 568.886, 10

Similar to: 14879955, 14879957, 14879959, 14879961, 34332424, ... 19 in total.
14879959
 
#88

Toronto Research Chemicals: X742002
ChEMBL19: CHEMBL1979448
Collaborative Drug Discovery: 46401, 1029028
DrugBank-approved: DB00137
DrugBank-nutriceuticals: DB00137...17 total

ref: mol2, SDF, SMILES, flexibase
9.31,18.98,-6.17,2,2,0, 568.886, 10

Similar to: 40164368, 40164369, 40164412, 40164427, 40164432, ... 11 in total.
40164432
 
#89

TCM Database @ Taiwan: 27586
Toronto Research Chemicals: X742002
Biocyc via PubChem: CPD1F-119
Bovine Metabolome: BMDB03415
ChEMBL19: CHEMBL1979448...26 total

ref: mol2, SDF, SMILES, flexibase
9.31,19.01,-6.13,2,2,0, 568.886, 10

Similar to: 40164436, 40164437, 34337588, 34558067, 34558069, ... 16 in total.
3924790
 
#90

ChemMol: 30104348, 44003907
APIChem: AC-1859
Boerchem Pharmatech BB: BC208534
Bosche Scientific: C2907
Capot Chemical: 19327...163 total

ref: mol2, SDF, SMILES, flexibase
5.56,6.98,-5.55,3,3,0, 416.646, 6

Similar to: 33820707, 34323643, 34323646, 38791524, ... 13 in total.
3079337
 
#91

TCM Database @ Taiwan: tcm03_001372
Acros Organics: 38672, 11029
AK Scientific: K112, 2907AC, P576
Alfa-Aesar: B24443, L00860, A15828
Angene Building Blocks: AGN-PC-0038JN...774 total

ref: mol2, SDF, SMILES, flexibase
-4.24,2.42,-27.92,1,2,1, 104.173, 2

Old detail retrieval took 1 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 = 219 ) limit 0,100

Smiles were