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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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3869518
 
#1

Enolase via KEGG (EFI): C04225_1
Amadis Chemical: A846117
Biocyc via PubChem: CPD-1136
Bovine Metabolome: BMDB06357
ChEBI: CHEBI:16717...20 total

ref: mol2, SDF, SMILES, flexibase
-0.68,5.76,-215.71,0,6,-3, 185.111, 4
lo: mol2, SDF, SMILES, flexibase
-0.68,3.78,-135.54,1,6,-2, 186.119, 4
4226469
 
#2

ChemMol: 44009237
eMolecules: 13074971
Molport: MolPort-003-758-283
AK Scientific: 7026AC
AKOS: AKOS002285042...37 total

ref: mol2, SDF, SMILES, flexibase
1.98,3.36,-55.71,3,4,0, 202.213, 1

Similar to: 4226470, 4226489, 4226557,
19682463
 
#3

ChemMol: 44020648
ACT Chemical BB: ACT10766
AK Scientific: W9890
Amadis Chemical: A846114
Angene Building Blocks: AGN-PC-0WA1JC...29 total

ref: mol2, SDF, SMILES, flexibase
0.89,1.86,-47.66,3,2,1, 137.206, 1
hi: mol2, SDF, SMILES, flexibase
0.89,1.6,-4,2,2,0, 136.198, 1
lo: mol2, SDF, SMILES, flexibase
0.89,2.3,-99.06,4,2,2, 138.214, 1
2385582
 
#4

ChemMol: 44018694, 97602881
Molport: MolPort-020-003-127
AK Scientific: W9887
Amadis Chemical: A846108
American Custom Chemicals Corp.: AAA0004876...21 total

ref: mol2, SDF, SMILES, flexibase
2.79,5.26,-50.58,2,6,-1, 308.354, 6

Similar to: 2559480, 2567261, 2567266, 2575023, 4241898, ... 9 in total.
330134
 
#5

ChemMol: 1202186, 30109677, 44009563, 98000392
eMolecules: 532087
Molport: MolPort-016-853-398
Acros Organics: 13906
AK Scientific: 8386AA...266 total

ref: mol2, SDF, SMILES, flexibase
2.30,5.73,-49.69,0,2,-1, 135.142, 1

Similar to: 6472093, 33798966,
83576
 
#6

ChemMol: 1033297, 97804909
eMolecules: 31660919, 728253
Molport: MolPort-000-849-530, MolPort-000-002-309
Scientific Exchange (make on demand): F-144673
AK Scientific: V9943...72 total

ref: mol2, SDF, SMILES, flexibase
1.22,3.58,-42.79,2,4,1, 244.116, 1
2568291
 
#7

ChemMol: 42303189
AKOS: AKOS015996069
Aldrich CPR: CDS013768|ALDRICH
Amadis Chemical: A846092
Chembo Pharma: KB-147526...38 total

ref: mol2, SDF, SMILES, flexibase
2.00,3.45,-41.46,2,3,1, 227.715, 2

Similar to: 34668080, 34668081, 34668093, 34670106, 38258294, ... 6 in total.
4289527
 
#8

Amadis Chemical: A846089
Chembo Pharma: KB-298717
FineTech: FT-0629657
Maybridge Building Blocks: TL00862
Ryan Scientific BB: 047-61034...15 total

ref: mol2, SDF, SMILES, flexibase
2.35,1.58,-7.55,1,5,0, 222.244, 4

Similar to: 5186383, 5383142, 38439287, 38439546, 39316607, ... 5 in total.
20216293
 
#9

AK Scientific: 7004AC
AKOS: AKOS004115265
Aldrich CPR: CDS019453|ALDRICH
Amadis Chemical: A846087
Anward: ANW-71349...37 total

ref: mol2, SDF, SMILES, flexibase
-0.51,-0.94,-44.35,3,3,1, 115.156, 0
hi: mol2, SDF, SMILES, flexibase
-0.51,-2.37,-7.16,2,3,0, 114.148, 0

Similar to: 41664874, 44651350,
2562555
 
#10

ChemMol: 30100119, 44020732
Molport: MolPort-002-461-951
Acros Organics: 45076
AK Scientific: N031
Alfa-Aesar: B22261...30 total

ref: mol2, SDF, SMILES, flexibase
3.73,0.82,-36.48,0,4,-1, 235.046, 2
5239698
 
#11

AK Scientific: 4725AF
Aldrich CPR: CDS000847|ALDRICH
Alfa-Aesar: L16813
Amadis Chemical: A846083
Apollo Scientific: PC5166H...28 total

ref: mol2, SDF, SMILES, flexibase
1.50,3.58,-40.16,0,2,-1, 155.095, 3
2556476
 
#12

AK Scientific: 4725AF
Aldrich CPR: CDS000847|ALDRICH
Alfa-Aesar: L16813
Amadis Chemical: A846083
Apollo Scientific: PC5166H...27 total

ref: mol2, SDF, SMILES, flexibase
1.50,3.57,-40.15,0,2,-1, 155.095, 3
332752
 
#13

ChemMol: 98000435, 30101249, 44009267, 1202712
eMolecules: 490868
Molport: MolPort-000-871-606
Scientific Exchange (make on demand): POD_20/0707
TCM Database @ Taiwan: 46313...428 total

ref: mol2, SDF, SMILES, flexibase
1.37,2.22,-47.43,1,3,-1, 137.114, 1
8075875
 
#14

ChemMol: 44010761, 96700039, 42302355, 96700601, 30114898, 97600146
eMolecules: 495525
Enolase via KEGG (EFI): C17235_1
Molport: MolPort-020-014-265, MolPort-003-929-427
Scientific Exchange (make on demand): F-393683...116 total

ref: mol2, SDF, SMILES, flexibase
-0.71,3.91,-46.12,3,3,0, 179.219, 4

Similar to: 34444991, 38812054, 8075874,
1532519
 
#15

ChemMol: 44003030, 30104736, 44004213
DiPeptides (Hao): Oxoglutarate
eMolecules: 1967682, 530280
Enolase EN-EFI: Oxoglutarate
Enolase via KEGG (EFI): C00026_1...295 total

ref: mol2, SDF, SMILES, flexibase
-1.48,4.22,-95.01,0,5,-2, 144.082, 4

Similar to: 1532655, 1529524,
2169557
 
#16

ChemMol: 44001668
Molport: MolPort-020-003-116
ACT Chemical BB: ACT08169
AK Scientific: Z3329, X9813
AKOS: AKOS009158924...51 total

ref: mol2, SDF, SMILES, flexibase
4.48,-0.09,-42.78,2,4,1, 277.388, 5
hi: mol2, SDF, SMILES, flexibase
0.55,7.32,-29.04,2,6,0, 287.348, 2

Similar to: 2169559, 34401723, 39027091, 39048201, ... 4 in total.
2169559
 
#17

Molport: MolPort-020-003-116
ACT Chemical BB: ACT08172
AK Scientific: X9814, Z3329
AKOS: AKOS009158924, AKOS015839150, AKOS005146082
Amadis Chemical: A846073...60 total

ref: mol2, SDF, SMILES, flexibase
4.48,-0.09,-42.81,2,4,1, 277.388, 5
hi: mol2, SDF, SMILES, flexibase
3.48,12.72,-51.74,2,8,1, 464.619, 5

Similar to: 34401723, 39027091, 39048201,
34264463
 
#18

ChemMol: 2100857
Aldrich CPR: CDS007666|ALDRICH
Amadis Chemical: A846070
Apexmol Building Blocks: AM20120407
Ark Pharm Building Blocks: AK-59514...16 total

ref: mol2, SDF, SMILES, flexibase
1.04,1.3,-42.05,3,4,1, 187.263, 4
34264462
 
#19

ChemMol: 2100857
Aldrich CPR: CDS007666|ALDRICH
Amadis Chemical: A846070
Apexmol Building Blocks: AM20120407
Ark Pharm Building Blocks: AK-59514...16 total

ref: mol2, SDF, SMILES, flexibase
1.04,1.29,-42.05,3,4,1, 187.263, 4
3874302
 
#20

ChemMol: 44004324, 30104927
AK Scientific: K789, V0069
Amadis Chemical: A846063
American Custom Chemicals Corp.: API0007274
APIChem: AC-15832...38 total

ref: mol2, SDF, SMILES, flexibase
-1.33,0.05,-68.58,2,13,-1, 495.466, 11

Similar to: 31351614,
3008621
 
#21

ChemMol: 30113418, 44027303
Enolase via KEGG (EFI): C07185_1
Acros Organics: 27183, 20833
ACT Chemical BB: ACT05281
AK Scientific: U058...244 total

ref: mol2, SDF, SMILES, flexibase
2.80,6.49,-47.15,0,2,-1, 143.206, 5

Similar to: 5819695, 34027237, 2578841, 2578878, ... 4 in total.
388581
 
#22

ChemMol: 44022732, 30100238
eMolecules: 503856
Molport: MolPort-001-533-389
Acros Organics: 11575
AK Scientific: O783...65 total

ref: mol2, SDF, SMILES, flexibase
1.93,4.49,-53,0,3,-1, 164.184, 2

Similar to: 34365076,
22002130
 
#23

AK Scientific: K787
Amadis Chemical: A846053
Chembo Pharma: KB-147853
Toronto Research Chemicals: D231170
AKOS BB (make-on-demand): AKOS015967235...7 total

ref: mol2, SDF, SMILES, flexibase
2.30,9.43,-39.25,2,4,1, 280.351, 2
mid: mol2, SDF, SMILES, flexibase
2.30,9,-23.21,1,4,0, 279.343, 2
22002125
 
#24

AK Scientific: K787
Amadis Chemical: A846053
Chembo Pharma: KB-147853
Toronto Research Chemicals: D231170
AKOS BB (make-on-demand): AKOS015967235...7 total

ref: mol2, SDF, SMILES, flexibase
2.30,9.49,-38.9,2,4,1, 280.351, 2
mid: mol2, SDF, SMILES, flexibase
2.30,9.06,-23.01,1,4,0, 279.343, 2
75126
 
#25

ChemMol: 30108920, 44031508, 44002526, 2101369, 30102221, 97900605
eMolecules: 2725125, 902234, 2298982
Molport: MolPort-002-322-292, MolPort-003-983-448, MolPort-002-110-996
Active BioPharma: 1321
AK Scientific: O739...210 total

ref: mol2, SDF, SMILES, flexibase
2.37,11.1,-36.38,1,4,1, 294.378, 2
mid: mol2, SDF, SMILES, flexibase
2.37,10.62,-21.13,0,4,0, 293.37, 2

Similar to: 8416786, 44699629, 44699631,
32336
 
#26

ChemMol: 44022726, 30101341
eMolecules: 492246
Molport: MolPort-001-783-090
Acros Organics: 10965
AKOS: AKOS000119597...86 total

ref: mol2, SDF, SMILES, flexibase
2.07,1.13,-38.38,0,5,-1, 200.557, 2

Similar to: 6092158, 39118892,
606383
 
#27

ChemMol: 30111693, 30108895
AK Scientific: K784
AKOS: AKOS015850283
Alinda Building Blocks: ALBB-028957
Amadis Chemical: A846049...63 total

ref: mol2, SDF, SMILES, flexibase
5.97,15.01,-41.33,1,3,1, 438.787, 6
mid: mol2, SDF, SMILES, flexibase
5.97,14.5,-7.44,0,3,0, 437.779, 6

Similar to: 2016037,
2016037
 
#28

ChemMol: 44011550, 30111693, 30108895, 44006399
AK Scientific: K784
AKOS: AKOS015850283
Alinda Building Blocks: ALBB-028957
Amadis Chemical: A846049...70 total

ref: mol2, SDF, SMILES, flexibase
5.97,14.47,-39.73,1,3,1, 438.787, 6
mid: mol2, SDF, SMILES, flexibase
5.97,13.94,-7.73,0,3,0, 437.779, 6

Similar to: 606383,
153318
 
#29

eMolecules: 886749
Molport: MolPort-001-508-092
Scientific Exchange (make on demand): K-020210
AK Scientific: 6986AC
AKOS: AKOS000283187...37 total

ref: mol2, SDF, SMILES, flexibase
1.09,2.56,-10.42,2,5,0, 180.163, 2

Similar to: 39236371,
2139141
 
#30

ChemMol: 80101214, 30102899, 96708021
eMolecules: 31261431, 975784, 26404098
Molport: MolPort-016-578-936, MolPort-001-783-598
Scientific Exchange (make on demand): POD_18/0526
AK Scientific: W9881...58 total

ref: mol2, SDF, SMILES, flexibase
-0.89,3,-35.44,2,3,0, 143.186, 1

Similar to: 4015911, 4015912, 33802722, 33802723, 33802724, ... 10 in total.
4015912
 
#31

ChemMol: 80101214, 30102899, 96708021
eMolecules: 31261431, 975784, 26404098
Molport: MolPort-001-783-598, MolPort-016-578-936
Scientific Exchange (make on demand): POD_18/0526
AK Scientific: W9881...57 total

ref: mol2, SDF, SMILES, flexibase
-0.89,-1.03,-36.66,2,3,0, 143.186, 1

Similar to: 33802722, 33802723, 33802724, 33802725, 34588843, ... 10 in total.
4015911
 
#32

ChemMol: 30102899, 80101214, 96708021
eMolecules: 31261431, 26404098, 975784
Molport: MolPort-001-783-598, MolPort-016-578-936, MolPort-002-511-519
Scientific Exchange (make on demand): POD_18/0526
AK Scientific: W9881...62 total

ref: mol2, SDF, SMILES, flexibase
-0.89,2.73,-36.66,2,3,0, 143.186, 1

Similar to: 4015912, 33802722, 33802723, 33802724, 33802725, ... 10 in total.
712025
 
#33

ChemMol: 30102899, 80101214, 96708021
eMolecules: 975784, 31261431, 26404098
Molport: MolPort-001-783-598, MolPort-016-578-936, MolPort-002-511-519
Scientific Exchange (make on demand): POD_18/0526
AK Scientific: W9881...63 total

ref: mol2, SDF, SMILES, flexibase
-0.89,3,-35.45,2,3,0, 143.186, 1

Similar to: 2139141, 4015911, 4015912, 33802722, 33802723, ... 10 in total.
35051195
 
#34

ChemMol: 30101182, 98000621, 1202714, 44009165
eMolecules: 477039
Acros Organics: 40089, SB01488
AK Scientific: R361
Alfa-Aesar: A13964...114 total

ref: mol2, SDF, SMILES, flexibase
1.09,0.35,-7.28,3,5,0, 154.125, 1
4615112
 
#35

ChemMol: 44012497, 30200321
Molport: MolPort-002-721-773
AK Scientific: 6984AC
AKOS: AKOS015842894
Amadis Chemical: A846043...30 total

ref: mol2, SDF, SMILES, flexibase
3.50,0.55,-48.2,0,2,-1, 228.065, 2
1693954
 
#36

AK Scientific: K783
Alfa-Aesar: L05342
Amadis Chemical: A846039
Angene Building Blocks: AGN-PC-030U7A
Anward: ANW-41022...49 total

ref: mol2, SDF, SMILES, flexibase
2.72,6.43,-6.44,0,3,0, 151.165, 1

Similar to: 2171323, 39133590, 39133643, 39259526, ... 4 in total.
13246
 
#37

AfroDb Natural Products: WA_0131
ChemMol: 30100183, 44010547
eMolecules: 502573
Molport: MolPort-000-881-444
TCM Database @ Taiwan: 36222...163 total

ref: mol2, SDF, SMILES, flexibase
0.88,0.14,-48.46,2,4,-1, 153.113, 1
4384368
 
#38

Molport: MolPort-002-678-900, MolPort-001-540-617
Scientific Exchange (make on demand): Q-051370
AKOS: AKOS000104674, AKOS003277880, AKOS000506106
Aldrich CPR: CDS014089|ALDRICH
Alinda: IBS-L0035523...44 total

ref: mol2, SDF, SMILES, flexibase
1.53,3.57,-50.98,1,4,-1, 175.167, 1
2019492
 
#39

eMolecules: 1988308
Scientific Exchange (make on demand): F-393695
AK Scientific: Z3711
Alinda: IBS-L0126755
Alinda Building Blocks: ALBB-025704...84 total

ref: mol2, SDF, SMILES, flexibase
3.80,8.64,-36.76,3,5,1, 309.43, 11
1845507
 
#40

ChemMol: 97800710, 96705702, 44030992, 44022752
eMolecules: 2872274
Molport: MolPort-002-471-570
Scientific Exchange (make on demand): F-137725
Acros Organics: MO08400...73 total

ref: mol2, SDF, SMILES, flexibase
1.16,4.6,-39.06,3,1,1, 148.229, 2
4255444
 
#41

ChemMol: 44029765, 1032478, 1033778
AK Scientific: V0288
Aldrich CPR: CDS003868|ALDRICH
Amadis Chemical: A846015
Apollo Scientific: PC5677...28 total

ref: mol2, SDF, SMILES, flexibase
2.42,5.26,-35.69,0,0,-1, 145.153, 0
1680076
 
#42

ChemMol: 1036181, 30107228, 44005799, 97804496
eMolecules: 479077, 25860205
Molport: MolPort-001-768-177, MolPort-002-152-276
Acros Organics: 15195, 30170
AKOS: AKOS000278418...210 total

ref: mol2, SDF, SMILES, flexibase
2.63,0.48,-28.63,2,1,1, 142.266, 0

Similar to: 39291288, 39291290,
152318
 
#43

ChemMol: 44020033, 96700174
eMolecules: 715755
Scientific Exchange (make on demand): M-697900
Acros Organics: 33010
AK Scientific: 5872AC...64 total

ref: mol2, SDF, SMILES, flexibase
0.89,3.84,-45.59,0,3,-1, 139.13, 3

Similar to: 32005769, 32005772,
3888730
 
#44

AKOS: AKOS015847984
Amadis Chemical: A846012
Ark Pharm Building Blocks: AK135556
Asinex: BAS03213147
Asinex Building Blocks: BAS03213147...35 total

ref: mol2, SDF, SMILES, flexibase
0.95,1.33,-50.16,2,5,-1, 194.166, 1

Similar to: 36765592,
19735203
 
#45

ChemMol: 44002217, 1036334
eMolecules: 933310
Molport: MolPort-019-931-534
Scientific Exchange (make on demand): F-315450
AK Scientific: Y4755...87 total

ref: mol2, SDF, SMILES, flexibase
-0.96,0.15,-91.78,4,3,2, 145.25, 2
mid: mol2, SDF, SMILES, flexibase
-0.96,-2.33,-44.26,3,3,1, 144.242, 2

Similar to: 22041915, 34617228, 37039576, 37039587, 39120697, ... 13 in total.
1648205
 
#46

ChemMol: 30100243, 44008219
Molport: MolPort-005-909-057
Scientific Exchange (make on demand): H-007792
Acros Organics: 15319
AKOS: AKOS000118997...129 total

ref: mol2, SDF, SMILES, flexibase
1.69,5.45,-36.48,0,8,-1, 211.109, 3
395520
 
#47

ChemMol: 30113691
Acros Organics: 43933
AK Scientific: 6964AC
Amadis Chemical: A846005
American Custom Chemicals Corp.: CCH0000696...27 total

ref: mol2, SDF, SMILES, flexibase
-0.03,5.95,-51.43,0,5,-1, 220.204, 3

Similar to: 34519615, 34555702, 34629641, 38762090, 41907446, ... 31 in total.
395521
 
#48

Amadis Chemical: A846005
Anward: ANW-57411
Element Store BB: b2star-99333-54-7
Labotest: LT00452233
TimTec Building Blocks: SBB015045...13 total

ref: mol2, SDF, SMILES, flexibase
-0.03,5.96,-51.03,0,5,-1, 220.204, 3

Similar to: 34519615, 34555702, 34629641, 38762090, 41907446, ... 31 in total.
1641093
 
#49

ChemMol: 98000743, 30100792, 1201890
Molport: MolPort-001-759-886
Acros Organics: 40871
AK Scientific: P773
AKOS: AKOS005720907...61 total

ref: mol2, SDF, SMILES, flexibase
2.24,2.32,-5.57,0,7,0, 230.563, 3

Similar to: 39317025, 39333580,
2577352
 
#50

ChemMol: 44019313, 44026076, 44005748, 96708399, 42304303, 30111883
Molport: MolPort-002-499-826, MolPort-002-344-229
A&J Pharmtech: AJ-00290
AK Scientific: 6962AC, W9864
AKOS: AKOS015920338...63 total

ref: mol2, SDF, SMILES, flexibase
2.87,-0.74,-42.91,2,1,1, 196.701, 1

Similar to: 34605271, 37100924,
40571381
 
#51

Amadis Chemical: A846000
Oakwood Chemical: 038573
Fluorochem (Depleted): 038573
Molport BB (Depleted): MolPort-008-155-567
PubChem: 45790827...5 total

ref: mol2, SDF, SMILES, flexibase
2.87,5.35,-9.75,1,3,0, 340.042, 1
mid: mol2, SDF, SMILES, flexibase
3.32,3.29,-34.72,0,3,-1, 339.034, 1
2504354
 
#52

ChemMol: 30102025, 44000319, 30100234
eMolecules: 486534
Molport: MolPort-001-554-020
Acros Organics: 18133
AK Scientific: K781...89 total

ref: mol2, SDF, SMILES, flexibase
0.76,1.58,-108.23,2,5,-2, 179.131, 2

Similar to: 33753726, 34440604,
3947437
 
#53

eMolecules: 3219426
Molport: MolPort-002-648-880
AKOS: AKOS002528417
Amadis Chemical: A845996
IBScreen BuildingBlocks: BB_NC-02321...51 total

ref: mol2, SDF, SMILES, flexibase
5.23,0.46,-47.68,3,1,1, 286.483, 2

Similar to: 5977367, 27644917, 31484804,
3947436
 
#54

eMolecules: 3219426
Molport: MolPort-002-648-880
AKOS: AKOS002528417
Amadis Chemical: A845996
IBScreen BuildingBlocks: BB_NC-02321...52 total

ref: mol2, SDF, SMILES, flexibase
5.23,0.27,-46.6,3,1,1, 286.483, 2

Similar to: 3947437, 5977367, 27644917, 31484804, ... 9 in total.
3947435
 
#55

eMolecules: 3219426
Molport: MolPort-002-648-880
AKOS: AKOS002528417
Amadis Chemical: A845996
Cayman Chemical: 10006148...67 total

ref: mol2, SDF, SMILES, flexibase
5.23,9.43,-47.54,3,1,1, 286.483, 2

Similar to: 3947436, 3947437, 5977367, 27644917, 31484804, ... 9 in total.
3860856
 
#56

ChemMol: 44006981
eMolecules: 3219426
Molport: MolPort-002-648-880
AK Scientific: X6890
AKOS: AKOS002528417...140 total

ref: mol2, SDF, SMILES, flexibase
5.23,9.42,-46.88,3,1,1, 286.483, 2

Similar to: 3947435, 3947436, 3947437, 31484804, ... 5 in total.
896698
 
#57

ChemMol: 44004130, 97900923, 30104609
eMolecules: 902654
Molport: MolPort-003-987-504, MolPort-023-220-227
Active BioPharma: 1934
AK Scientific: K700...192 total

ref: mol2, SDF, SMILES, flexibase
3.81,7.34,-35.59,2,3,1, 278.416, 5
hi: mol2, SDF, SMILES, flexibase
3.81,5.04,-4.2,1,3,0, 277.408, 5

Similar to: 34322988, 34322989, 34322990, 34322991, 34344040, ... 16 in total.
3679861
 
#58

ChemMol: 42302349, 97601357
eMolecules: 45982844
Molport: MolPort-028-752-370
AK Scientific: Q851
Alfa-Aesar: H65547...60 total

ref: mol2, SDF, SMILES, flexibase
-0.45,3.73,-37.51,3,3,0, 244.088, 3

Similar to: 3679915, 3679916, 33717698, 33717700, ... 5 in total.
57139
 
#59

ChemMol: 1033659, 1032356
eMolecules: 537334
AKOS: AKOS000120620
Alfa-Aesar: A12916
Amadis Chemical: A845989...42 total

ref: mol2, SDF, SMILES, flexibase
3.15,-1.43,-26.34,0,4,-1, 295.894, 1
hi: mol2, SDF, SMILES, flexibase
4.08,10.83,-18.88,1,7,0, 396.443, 4

Similar to: 25501761,
15020724
 
#60

ChemMol: 2000423, 96708979
Aldrich CPR: CDS008051|ALDRICH, CDS019136|ALDRICH
Amadis Chemical: A845983
Ark Pharm Building Blocks: AK154710, AK154727
Chembo Pharma: KB-133974...32 total

ref: mol2, SDF, SMILES, flexibase
1.46,5.29,-40.84,2,2,1, 195.311, 2
lo: mol2, SDF, SMILES, flexibase
1.46,5.45,-90.26,3,2,2, 196.319, 2

Similar to: 70615581,
5844792
 
#61

ChemMol: 2100001, 83600027, 44005469, 30110985, 44024055, 97901125
Molport: MolPort-005-978-482, MolPort-015-163-751
Active BioPharma: 2372
AK Scientific: 8665AA
Amadis Chemical: A845981...89 total

ref: mol2, SDF, SMILES, flexibase
3.10,-3.88,-50,4,5,1, 406.449, 6

Similar to: 6117243, 6117269, 6117270, 11681534, 14951683, ... 25 in total.
15668997
 
#62

ChemMol: 30110985, 44024055, 83600027, 97901125, 44005469, 2100001
Molport: MolPort-005-978-482, MolPort-015-163-751
Active BioPharma: 2372
AK Scientific: 8665AA
Amadis Chemical: A845981...108 total

ref: mol2, SDF, SMILES, flexibase
3.10,5.45,-50.38,4,5,1, 406.449, 6

Similar to: 34566235, 36143552, 36143554, 36148986, 36148989, ... 14 in total.
4213946
 
#63

ChemMol: 30110985, 44024055, 97901125, 44005469, 83600027, 2100001
Molport: MolPort-005-978-482, MolPort-015-163-751
Active BioPharma: 2372
AK Scientific: 8665AA
Amadis Chemical: A845981...85 total

ref: mol2, SDF, SMILES, flexibase
3.10,-4.08,-50.21,4,5,1, 406.449, 6

Similar to: 5844788, 5844792, 6117243, 6117269, 6117270, ... 24 in total.
5844788
 
#64

ChemMol: 44024055, 30110985, 83600027, 2100001, 97901125, 44005469
Molport: MolPort-005-978-482, MolPort-015-163-751
Active BioPharma: 2372
AK Scientific: 8665AA
Amadis Chemical: A845981...92 total

ref: mol2, SDF, SMILES, flexibase
3.10,-3.91,-50.77,4,5,1, 406.449, 6

Similar to: 5844792, 6117243, 6117269, 6117270, 11681534, ... 25 in total.
20357951
 
#65

ChemMol: 30108680, 44011400, 30114385
AK Scientific: Z5423
Amadis Chemical: A845979
Angene Building Blocks: AGN-PC-00P2GZ
Anward: ANW-44423...38 total

ref: mol2, SDF, SMILES, flexibase
1.88,5.6,-46.1,0,3,-1, 195.169, 1

Similar to: 38258514, 38258516,
19616003
 
#66

ChemMol: 30108680, 44011400, 30114385
AK Scientific: Z5423
Amadis Chemical: A845979
Angene Building Blocks: AGN-PC-00P2GZ
Anward: ANW-44423...40 total

ref: mol2, SDF, SMILES, flexibase
1.88,5.6,-46.1,0,3,-1, 195.169, 1

Similar to: 38258514, 38258516,
404055
 
#67

ChemMol: 96701208, 30104643, 44004143, 1031551
eMolecules: 519345
Molport: MolPort-001-771-766
AK Scientific: O218
Alfa-Aesar: H32714...50 total

ref: mol2, SDF, SMILES, flexibase
0.80,4.83,-42.2,0,4,-1, 207.136, 1

Similar to: 34319925,
4685557
 
#68

eMolecules: 1311691, 46475263
Molport: MolPort-001-505-209
AKOS: AKOS000228362, AKOS003282031
Amadis Chemical: A845968
Ark Pharm Building Blocks: AK-97883...28 total

ref: mol2, SDF, SMILES, flexibase
2.21,0.34,-37.31,2,3,1, 210.297, 5

Similar to: 19840847, 32191144, 1713598,
334493
 
#69

Acros Organics: 13936
AKOS: AKOS000277372
Alfa-Aesar: B22103
Amadis Chemical: A845967
Anward: ANW-40980...110 total

ref: mol2, SDF, SMILES, flexibase
-1.04,5.2,-212.66,0,6,-3, 173.1, 5
mid: mol2, SDF, SMILES, flexibase
-1.04,3.56,-103.08,1,6,-2, 174.108, 5
mid: mol2, SDF, SMILES, flexibase
-1.04,3.21,-127.06,1,6,-2, 174.108, 5
lo: mol2, SDF, SMILES, flexibase
-1.04,1.58,-53.52,2,6,-1, 175.116, 5
lo: mol2, SDF, SMILES, flexibase
-1.04,1.47,-57.27,2,6,-1, 175.116, 5
12650227
 
#70

ChemMol: 44020409
Molport: MolPort-009-195-892, MolPort-002-499-496
A&J Pharmtech: AJ-00504
AK Scientific: 7750AD
Amadis Chemical: A845961...32 total

ref: mol2, SDF, SMILES, flexibase
0.97,3.43,-45.43,3,3,1, 172.248, 3

Similar to: 34618655,
39951737
 
#71

ChemMol: 30200184, 44035031
AK Scientific: 6937AC
AKOS: AKOS015841721
Amadis Chemical: A845950
Ark Pharm Building Blocks: AK-93350...20 total

ref: mol2, SDF, SMILES, flexibase
3.90,7.92,-46.14,0,2,-1, 289.092, 2

Similar to: 39951746,
16123759
 
#72

eMolecules: 16071075, 925329
Molport: MolPort-007-670-755
AK Scientific: Y4891
AKOS: AKOS001871492
Amadis Chemical: A845949...40 total

ref: mol2, SDF, SMILES, flexibase
0.89,4.91,-38.93,0,6,-1, 220.208, 3
21989592
 
#73

ChemMol: 44006109, 30107764
AK Scientific: W9860, Z5365
AKOS: AKOS015841682
Amadis Chemical: A845943
Angene Building Blocks: AGN-PC-0W351X...41 total

ref: mol2, SDF, SMILES, flexibase
2.78,4.64,-30.24,4,3,1, 216.308, 3
hi: mol2, SDF, SMILES, flexibase
2.78,4.22,-7.03,3,3,0, 215.3, 3

Similar to: 34421035,
21986080
 
#74

ChemMol: 44011655
eMolecules: 31484688
Molport: MolPort-005-935-478
AK Scientific: 6933AC
Amadis Chemical: A845942...26 total

ref: mol2, SDF, SMILES, flexibase
3.26,7.14,-7.3,1,5,0, 245.282, 4
mid: mol2, SDF, SMILES, flexibase
3.26,7.55,-35.45,2,5,1, 246.29, 4

Similar to: 34348508, 34421033, 34421071, 39368868, ... 4 in total.
4716574
 
#75

AK Scientific: 4655AF
AKOS: AKOS015846204
Amadis Chemical: A845941
Capot Chemical: 8029
Chembo Pharma: KB-231662...25 total

ref: mol2, SDF, SMILES, flexibase
0.36,3.09,-39.85,2,3,1, 157.237, 2

Similar to: 39128728,
4292309
 
#76

eMolecules: 1523103, 5552368
Molport: MolPort-016-899-675, MolPort-002-017-749, MolPort-003-104-835
Scientific Exchange (make on demand): M-940667
AK Scientific: 4654AF
AKOS: AKOS000152483...74 total

ref: mol2, SDF, SMILES, flexibase
1.09,3.14,-43.62,3,3,1, 162.216, 2

Similar to: 34539891,
481639
 
#77

Amadis Chemical: A845938
Apollo Scientific: PC5393
Ark Pharm Building Blocks: AK129205
Capot Chemical: 2384
Element Store BB: b2star-98967-40-9...40 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.27,-67.83,0,7,-1, 324.292, 3

Similar to: 2383062, 34331429, 34331434,
15045247
 
#78

ChemMol: 30116295, 44015363
eMolecules: 24772842, 1949061, 43299375
Molport: MolPort-001-002-006, MolPort-004-805-059
AK Scientific: P161, 2489AD
AKOS: AKOS000291533...85 total

ref: mol2, SDF, SMILES, flexibase
-0.96,-0.45,-10.89,2,4,0, 85.066, 0
39951740
 
#79

ChemMol: 30200188, 44035032
AKOS: AKOS015850713
Amadis Chemical: A845933
Ark Pharm Building Blocks: AK130394
Chembo Pharma: KB-145201...17 total

ref: mol2, SDF, SMILES, flexibase
2.96,7.4,-45.12,0,3,-1, 290.08, 2
4158901
 
#80

ChemMol: 83600199
eMolecules: 1876513
AK Scientific: V9921
AKOS: AKOS001595117, AKOS000273413
Aldrich CPR: BBO000200|ALDRICH...76 total

ref: mol2, SDF, SMILES, flexibase
0.99,-0.44,-67.51,1,4,-1, 267.058, 1

Similar to: 19721474, 33729075,
1640007
 
#81

Acros Organics: 40825
AKOS: AKOS015850797
Alfa-Aesar: L14521
Amadis Chemical: A845928
Anward: ANW-40966...116 total

ref: mol2, SDF, SMILES, flexibase
2.25,5.91,-31.5,1,1,1, 128.239, 1

Similar to: 1720064,
5965789
 
#82

Amadis Chemical: A845921
Tractus: TRA0009528
BindingDB.org: 50013980
ChEMBL12: CHEMBL607276
ChemDB: 5324886...14 total

ref: mol2, SDF, SMILES, flexibase
4.01,1.07,-36.84,1,3,1, 356.317, 3

Similar to: 7998902, 34324740, 34324742, 34324746, 39333818, ... 7 in total.
79633
 
#83

ChemMol: 42303139
AKOS: AKOS000263530
Aldrich CPR: T323195|ALDRICH
Amadis Chemical: A845915
Chembo Pharma: KB-297994...46 total

ref: mol2, SDF, SMILES, flexibase
-0.62,1.16,-51.26,2,5,1, 200.262, 0
mid: mol2, SDF, SMILES, flexibase
-0.62,-0.16,-9.78,1,5,0, 199.254, 0

Similar to: 1157610, 4600390,
3996032
 
#84

ChemMol: 97900084, 44006877, 30108671
ACT Chemical BB: ACT10901
Active BioPharma: 158
AK Scientific: N926
Amadis Chemical: A845907...99 total

ref: mol2, SDF, SMILES, flexibase
2.83,7.87,-46.18,2,4,1, 314.405, 6
hi: mol2, SDF, SMILES, flexibase
2.83,6.8,-8.72,1,4,0, 313.397, 6

Similar to: 28641736, 33866146, 33866147, 34590669, 34590671, ... 47 in total.
2284
 
#85

ChemMol: 44006877, 30108671
AK Scientific: K213
Amadis Chemical: A845907
APIChem: AC-1247
Ark Pharm Building Blocks: AK-50252...53 total

ref: mol2, SDF, SMILES, flexibase
2.83,-1.11,-41.16,2,4,1, 314.405, 6

Similar to: 6923, 3996032, 28641736, 35814242, 35814244, ... 14 in total.
2275
 
#86

ChemMol: 44006877, 30108671
Amadis Chemical: A845907
APIChem: AC-1247
Ark Pharm Building Blocks: AK-50252
Boerchem Pharmatech BB: BC220261...45 total

ref: mol2, SDF, SMILES, flexibase
2.83,-1.24,-42.42,2,4,1, 314.405, 6

Similar to: 2284, 6923, 3996032, 28641736, 35814242, ... 14 in total.
6923
 
#87

ChemMol: 44009096, 44006877, 30108900, 44007793
Amadis Chemical: A845907
American Custom Chemicals Corp.: API0010035
APIChem: AC-1349
Ark Pharm Building Blocks: AK-50252...84 total

ref: mol2, SDF, SMILES, flexibase
2.83,7.92,-45.28,2,4,1, 314.405, 6
hi: mol2, SDF, SMILES, flexibase
2.83,6.82,-8.25,1,4,0, 313.397, 6

Similar to: 3996032, 28641736, 35814242, 35814244, 35814246, ... 14 in total.
3871615
 
#88

Scientific Exchange (make on demand): Z-000262, R-065012
Alfa-Aesar: L14522
Amadis Chemical: A845904
Element Store BB: b2star-11016-17-4
Labotest: LT00440744...59 total

ref: mol2, SDF, SMILES, flexibase
-3.54,-3.51,-371.54,4,18,-4, 503.15, 8
mid: mol2, SDF, SMILES, flexibase
-3.54,-4.67,-233.04,5,18,-3, 504.158, 8

Similar to: 4806446, 4806450, 8195618, 11524397, 14414237, ... 18 in total.
3871614
 
#89

Scientific Exchange (make on demand): R-065012, Z-000262
Amadis Chemical: A845904
Element Store BB: b2star-11016-17-4
Labotest: LT00440744
Labotest Building Blocks: LT00440744...60 total

ref: mol2, SDF, SMILES, flexibase
-3.54,-3.67,-368.88,4,18,-4, 503.15, 8
mid: mol2, SDF, SMILES, flexibase
-3.54,-4.83,-230.93,5,18,-3, 504.158, 8

Similar to: 4806446, 4806450, 8195618, 11524397, 14414237, ... 18 in total.
3871613
 
#90

Scientific Exchange (make on demand): Z-000262, R-065012
Alfa-Aesar: L14522
Amadis Chemical: A845904
Element Store BB: b2star-11016-17-4
Labotest: LT00440744...59 total

ref: mol2, SDF, SMILES, flexibase
-3.54,-2.62,-372.47,4,18,-4, 503.15, 8
mid: mol2, SDF, SMILES, flexibase
-3.54,-3.78,-234.92,5,18,-3, 504.158, 8

Similar to: 4806446, 4806450, 8195618, 11524397, 14414237, ... 18 in total.
3871612
 
#91

Scientific Exchange (make on demand): Z-000262, R-065012
Amadis Chemical: A845904
Element Store BB: b2star-11016-17-4
Labotest: LT00440744
Labotest Building Blocks: LT00440744...58 total

ref: mol2, SDF, SMILES, flexibase
-3.54,-1.95,-373.63,4,18,-4, 503.15, 8
mid: mol2, SDF, SMILES, flexibase
-3.54,-3.1,-235.4,5,18,-3, 504.158, 8

Similar to: 4806446, 4806450, 8195618, 11524397, 14414237, ... 18 in total.
388305
 
#92

ChemMol: 30100923, 44010159
eMolecules: 482654
Molport: MolPort-000-871-565
Scientific Exchange (make on demand): X-011637
Aldrich CPR: S39099|ALDRICH...200 total

ref: mol2, SDF, SMILES, flexibase
3.56,7.38,-49.07,0,2,-1, 177.223, 2

Similar to: 35784221, 35784225,
3883622
 
#93

Molport: MolPort-001-758-531
AK Scientific: 6919AC
Amadis Chemical: A845890
Anward: ANW-74149
Ark Pharm Building Blocks: AK-80437...25 total

ref: mol2, SDF, SMILES, flexibase
3.48,2.65,-11.94,0,4,0, 227.219, 3

Similar to: 34364968,
34781150
 
#94

ChemMol: 1036294, 44028191
eMolecules: 537062
Molport: MolPort-021-783-099
AKOS: AKOS009156488
Amadis Chemical: A845885...63 total

ref: mol2, SDF, SMILES, flexibase
0.05,0.1,-35.57,3,2,1, 115.2, 0
lo: mol2, SDF, SMILES, flexibase
0.05,1.31,-106.23,4,2,2, 116.208, 0

Similar to: 38193751, 39120705, 39120707, 39120709, ... 4 in total.
34781149
 
#95

ChemMol: 1036294
eMolecules: 537062
AK Scientific: 5394AB
AKOS: AKOS009156488
Amadis Chemical: A845885...59 total

ref: mol2, SDF, SMILES, flexibase
0.05,0.11,-35.58,3,2,1, 115.2, 0
lo: mol2, SDF, SMILES, flexibase
0.05,1.31,-106.21,4,2,2, 116.208, 0

Similar to: 38193751,
38193751
 
#96

ChemMol: 30107416, 1036294
eMolecules: 537062
AKOS: AKOS009156488
Alfa-Aesar: L15684
Amadis Chemical: A845885...74 total

ref: mol2, SDF, SMILES, flexibase
0.05,0.19,-35.02,3,2,1, 115.2, 0
mid: mol2, SDF, SMILES, flexibase
0.05,1.4,-106.99,4,2,2, 116.208, 0

Similar to: 34781149, 34781150,
17164865
 
#97

AK Scientific: W9848
Amadis Chemical: A845874
Angene Building Blocks: AGN-PC-0JQ9AE
Anward: ANW-50780
Ark Pharm Building Blocks: AK-25056...27 total

ref: mol2, SDF, SMILES, flexibase
1.31,0.84,-39.73,0,5,-1, 193.211, 1
lo: mol2, SDF, SMILES, flexibase
0.85,1.29,-30.79,1,5,0, 194.219, 1

Similar to: 34537472, 34537473,
6643323
 
#98

ChemMol: 44031868, 96706711
A&J Pharmtech: AJ-01171
Adesis: 4-124
AK Scientific: X7942
Aldrich CPR: ADE000886|ALDRICH...31 total

ref: mol2, SDF, SMILES, flexibase
1.19,2.12,-26.14,2,3,0, 134.138, 0
hi: mol2, SDF, SMILES, flexibase
0.95,4.24,-97.03,6,9,2, 407.478, 5
hi: mol2, SDF, SMILES, flexibase
1.19,1.67,-48.13,1,3,-1, 133.13, 0
lo: mol2, SDF, SMILES, flexibase
1.19,1.17,-29.99,3,3,1, 135.146, 0
lo: mol2, SDF, SMILES, flexibase
1.19,0.9,-7.95,2,3,0, 134.138, 0

Similar to: 39051079, 44712776, 44712777,
1669797
 
#99

Amadis Chemical: A845869
ChemDB: 4989802
PubChem: 235592, 3010323
ref: mol2, SDF, SMILES, flexibase
-2.10,-12.71,-106.63,1,8,-2, 405.409, 4
59210624
 
#100

Amadis Chemical: A845862
PubChem: 21545385, 20155027
SureChEMBL: SCHEMBL2006103, SCHEMBL15194285, SCHEMBL11814563, SCHEMBL313107
ref: mol2, SDF, SMILES, flexibase
-4.53,-4.02,-124.4,2,7,-2, 251.241, 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 = 535 ) limit 0,100

Smiles were