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43427402
 
#1

MicroSource Pharmakon: 01505032
MicroSource US Drugs: 01505032
Toronto Research Chemicals: A777410, A777412
Individual Suppliers: UNNAMED00000083, UNNAMED00000002
Leadscope via PubChem: LS-176935...11 total

ref: mol2, SDF, SMILES, flexibase
3.40,5.87,-6.03,0,5,0, 298.379, 1

Similar to: 43427404, 43532457, 43532460, 43543815, 43693363, ... 25 in total.
14263142
 
#2

KeyOrganics Bioactives: KS-5314
MedChem Express: HY-N0402
MicroSource Pharmakon: 01505032
MicroSource US Drugs: 01505032
Sigma Aldrich (Building Blocks): A9361|SIGMA...39 total

ref: mol2, SDF, SMILES, flexibase
3.40,5.25,-6.37,0,5,0, 298.379, 1

Similar to: 38141493, 38158632, 38158633, 42764281, 43328116, ... 17 in total.
706
 
#3

Molport: MolPort-002-526-863
TCM Database @ Taiwan: tcm03_007493
AK Scientific: M892
BioSynth: Q-100313, Q-100647
BOC Sciences BB: 112025-60-2...115 total

ref: mol2, SDF, SMILES, flexibase
0.80,8.33,-30.58,0,5,1, 332.335, 0
3977944
 
#4

MicroSource Pharmakon: 01500380
MicroSource US Drugs: 01500380
Collaborative Drug Discovery: 14719
MicroSource Spectrum: 01500380
PubChem: 5702081...11 total

ref: mol2, SDF, SMILES, flexibase
3.37,8.66,-12.62,1,3,0, 344.495, 1

Similar to: 39027715, 3874182, 3874181, 3860508, 3860507, ... 10 in total.
3977945
 
#5

American Custom Chemicals Corp.: CHM0012989
BOC Sciences BB: 2668-66-8
Bosche Scientific: M2273
MedChem Express: HY-B1076
MicroSource Pharmakon: 01500380...48 total

ref: mol2, SDF, SMILES, flexibase
3.37,9.07,-10.95,1,3,0, 344.495, 1

Similar to: 32265013, 32265014, 32265015,
3977946
 
#6

MicroSource Pharmakon: 01500380
MicroSource US Drugs: 01500380
Collaborative Drug Discovery: 14719
MicroSource Spectrum: 01500380
PubChem: 5702081...11 total

ref: mol2, SDF, SMILES, flexibase
3.37,7.91,-11,1,3,0, 344.495, 1

Similar to: 3874182, 3874181, 3860508, 3860507, 3860506, ... 9 in total.
3977947
 
#7

MicroSource Pharmakon: 01500380
MicroSource US Drugs: 01500380
Collaborative Drug Discovery: 14719
MicroSource Spectrum: 01500380
PubChem: 5702081...11 total

ref: mol2, SDF, SMILES, flexibase
3.37,8.88,-11.74,1,3,0, 344.495, 1

Similar to: 3874182, 3874181, 3860508, 3860507, 3860506, ... 9 in total.
5232351
 
#8

eMolecules: 611664
Aldrich CPR: R198773|ALDRICH
MicroSource Pharmakon: 01500381
MicroSource US Drugs: 01500381
Molport BB: MolPort-003-666-225...20 total

ref: mol2, SDF, SMILES, flexibase
4.09,11.67,-16.33,0,4,0, 384.516, 3
5232345
 
#9

eMolecules: 611664
Aldrich CPR: R198773|ALDRICH
MicroSource Pharmakon: 01500381
MicroSource US Drugs: 01500381
Molport BB: MolPort-003-666-225...20 total

ref: mol2, SDF, SMILES, flexibase
4.09,3.88,-12.95,0,4,0, 384.516, 3
3874191
 
#10

eMolecules: 611664
Molport: MolPort-005-971-778
Aldrich CPR: R198773|ALDRICH
Element Store BB: b2star-595-33-5
Labotest: LT00244865...36 total

ref: mol2, SDF, SMILES, flexibase
4.09,11.66,-16.63,0,4,0, 384.516, 3

Similar to: 3938628, 4025285, 4025286, 4025288, 4097467, ... 20 in total.
3874190
 
#11

eMolecules: 611664
Molport: MolPort-005-971-778
Aldrich CPR: R198773|ALDRICH
Element Store BB: b2star-595-33-5
Labotest: LT00244865...38 total

ref: mol2, SDF, SMILES, flexibase
4.09,11.6,-14.89,0,4,0, 384.516, 3

Similar to: 3938628, 4025285, 4025286, 4025288, 4097467, ... 20 in total.
6300
 
#12

ChemMol: 97900673, 96708096, 30104556, 44004091
ACT Chemical BB: ACT04427
Active BioPharma: 1451
AKOS: AKOS000280863
APIChem: AC-2082...90 total

ref: mol2, SDF, SMILES, flexibase
1.74,8.65,-16.75,0,6,0, 305.341, 3

Similar to: 35824677, 35826681,
1187543
 
#13

ChemMol: 30108867, 44002328
eMolecules: 496094, 1971965
Scientific Exchange (make on demand): X-046427, X-046443
Acros Organics: 12550
AK Scientific: Q813...161 total

ref: mol2, SDF, SMILES, flexibase
-0.02,3.82,-17.6,1,2,0, 114.173, 0
57340
 
#14

ChemMol: 30101849, 44002247
Anward: ANW-42701
APIChem: AC-12037
Boerchem Pharmatech BB: BC203907
Bosche Scientific: M1552...72 total

ref: mol2, SDF, SMILES, flexibase
0.45,-1.29,-12.85,3,6,0, 241.243, 7
57341
 
#15

ChemMol: 44002247, 30101849
Anward: ANW-42701
APIChem: AC-12037
Boerchem Pharmatech BB: BC203907
Bosche Scientific: M1552...77 total

ref: mol2, SDF, SMILES, flexibase
0.45,-1.29,-12.84,3,6,0, 241.243, 7
3881944
 
#16

Molport: MolPort-002-507-412
IBScreen BuildingBlocks: BB_NC-01408
MicroSource Pharmakon: 01500406
MicroSource US Drugs: 01500406
Molport BB: MolPort-002-507-412...22 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.12,-16.05,3,5,0, 374.477, 2

Similar to: 34352698, 34352699, 34352701, 34352702, ... 13 in total.
3875560
 
#17

ChemMol: 44003320, 30103602
Molport: MolPort-002-507-412
TCM Database @ Taiwan: 26766
AK Scientific: H972
AKOS: AKOS015969744...157 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.59,-15.94,3,5,0, 374.477, 2

Similar to: 34352698, 34352699, 34352701, 34352702, ... 4 in total.
3881945
 
#18

Molport: MolPort-002-507-412
IBScreen BuildingBlocks: BB_NC-01408
MicroSource Pharmakon: 01500406
MicroSource US Drugs: 01500406
Molport BB: MolPort-002-507-412...18 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.85,-16.4,3,5,0, 374.477, 2

Similar to: 34352698, 34352699, 34352701, 34352702, ... 13 in total.
3881946
 
#19

Molport: MolPort-002-507-412
IBScreen BuildingBlocks: BB_NC-01408
MicroSource Pharmakon: 01500406
MicroSource US Drugs: 01500406
Molport BB: MolPort-002-507-412...18 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.49,-16.25,3,5,0, 374.477, 2

Similar to: 34352698, 34352699, 34352701, 34352702, ... 13 in total.
3860453
 
#20

Acros Organics: 11924, 40410, 41062
AK Scientific: U832, T217
Alfa-Aesar: L13251, A11659, A16554
Angene Building Blocks: AGN-PC-09ZKD9
Anward: ANW-65405...452 total

ref: mol2, SDF, SMILES, flexibase
3.69,5.23,-12.47,2,5,0, 332.311, 0
hi: mol2, SDF, SMILES, flexibase
3.69,6,-49.46,1,5,-1, 331.303, 0

Similar to: 4802914, 5157919, 5863599, 5863601, 5863605, ... 23 in total.
1567243
 
#21

TCM Database @ Taiwan: 30904
AK Scientific: P992
AKOS: AKOS015841508
Alfa-Aesar: A18499, B25114
Angene Building Blocks: AGN-PC-0OIHU0...107 total

ref: mol2, SDF, SMILES, flexibase
-1.06,-4.18,-8.88,4,5,0, 205.254, 6

Similar to: 32137424, 32137425, 34027295,
1530303
 
#22

ChemMol: 44006563
Acros Organics: 23280
AK Scientific: M365, P992
AKOS: AKOS015841508, AKOS015841507
Alfa-Aesar: A18499...161 total

ref: mol2, SDF, SMILES, flexibase
-1.06,-4.06,-8.96,4,5,0, 205.254, 6

Similar to: 32137424, 32137425, 34027295,
3977938
 
#23

Molport: MolPort-002-509-542
IBScreen NP: STOCK1N-04274
MicroSource Pharmakon: 01500437
MicroSource US Drugs: 01500437
Pharmeks: PHAR061048...16 total

ref: mol2, SDF, SMILES, flexibase
3.23,7.81,-8.09,1,2,0, 298.426, 0

Similar to: 1849618, 1424855, 1323139, 1295542, 1295540, ... 9 in total.
3977937
 
#24

Molport: MolPort-002-509-542
IBScreen NP: STOCK1N-04274
MicroSource Pharmakon: 01500437
MicroSource US Drugs: 01500437
Pharmeks: PHAR061048...16 total

ref: mol2, SDF, SMILES, flexibase
3.23,7.72,-8.68,1,2,0, 298.426, 0

Similar to: 1849618, 1424855, 1323139, 1295542, 1295540, ... 9 in total.
3814419
 
#25

eMolecules: 4775667
Molport: MolPort-002-509-542
Scientific Exchange (make on demand): F-446319
American Custom Chemicals Corp.: API0003629, API0003628
APIChem: AC-11100...93 total

ref: mol2, SDF, SMILES, flexibase
3.07,8.05,-6.86,1,2,0, 298.426, 0

Similar to: 4820551, 5736162, 5736163, 5752387, 16968675, ... 10 in total.
3977939
 
#26

Molport: MolPort-002-509-542
IBScreen NP: STOCK1N-04274
MicroSource Pharmakon: 01500437
MicroSource US Drugs: 01500437
Pharmeks: PHAR061048...17 total

ref: mol2, SDF, SMILES, flexibase
3.23,7.84,-7.33,1,2,0, 298.426, 0
ref: mol2, SDF, SMILES, flexibase
3.23,7.89,-9.41,1,2,0, 298.426, 0

Similar to: 1849618, 1424855, 1323139, 1295542, 1295540, ... 9 in total.
3881947
 
#27

eMolecules: 4775667
Aldrich CPR: R188441|ALDRICH, S733865|ALDRICH
IBScreen BuildingBlocks: BB_NC-01409
IBScreen NP: STOCK1N-06306
MicroSource Pharmakon: 01500439...24 total

ref: mol2, SDF, SMILES, flexibase
3.07,8.02,-6.99,1,2,0, 298.426, 0

Similar to: 35857078, 35857079, 1482190, 2106113, 3812889, ... 11 in total.
3881948
 
#28

eMolecules: 4775667
Aldrich CPR: R188441|ALDRICH, S733865|ALDRICH
IBScreen BuildingBlocks: BB_NC-01409
IBScreen NP: STOCK1N-06306
MicroSource Pharmakon: 01500439...22 total

ref: mol2, SDF, SMILES, flexibase
3.07,8.02,-6.84,1,2,0, 298.426, 0

Similar to: 31555355, 1482190, 2106113, 3812889, 3831223, ... 10 in total.
3881949
 
#29

eMolecules: 4775667
IBScreen BuildingBlocks: BB_NC-01409
IBScreen NP: STOCK1N-06306
MicroSource Pharmakon: 01500439
MicroSource US Drugs: 01500439...19 total

ref: mol2, SDF, SMILES, flexibase
3.07,7.83,-6.61,1,2,0, 298.426, 0

Similar to: 31555355, 1482190, 2106113, 3812889, 3831223, ... 10 in total.
136138
 
#30

ChemMol: 30101804, 44002221, 1034185
eMolecules: 483860
Acorn PharmaTech: ACN-S002214
Acros Organics: 12136
AK Scientific: I956...144 total

ref: mol2, SDF, SMILES, flexibase
3.37,4.46,-8.1,1,3,0, 228.247, 3
hi: mol2, SDF, SMILES, flexibase
3.37,5.24,-49.88,0,3,-1, 227.239, 3

Similar to: 1722138, 5733270, 5849525, 34330516, ... 5 in total.
3944422
 
#31

eMolecules: 877483
IBScreen Bioactives: Bio-0093
KeyOrganics Bioactives: KS-5017
MicroSource Pharmakon: 01502391
MicroSource US Drugs: 01502391...38 total

ref: mol2, SDF, SMILES, flexibase
7.51,12.91,-25.34,4,11,0, 720.962, 18

Similar to: 26658154, 27657823, 27719492, 29416469, 29416472, ... 8 in total.
14257
 
#32

ChemMol: 30105024
Aldrich CPR: PH000123|ALDRICH
APIChem: AC-15963
Bosche Scientific: M3557
Element Store BB: b2star-77-41-8...39 total

ref: mol2, SDF, SMILES, flexibase
1.34,1.56,-8.17,0,3,0, 203.241, 1

Similar to: 896703, 896887, 3640163, 4127670, 5761631, ... 9 in total.
896703
 
#33

ChemMol: 30105024
Aldrich CPR: PH000123|ALDRICH
APIChem: AC-15963
Bosche Scientific: M3557
Element Store BB: b2star-77-41-8...36 total

ref: mol2, SDF, SMILES, flexibase
1.34,1.55,-8.34,0,3,0, 203.241, 1

Similar to: 3640163, 4127670, 5761631, 35822811, 41654633, ... 7 in total.
1885
 
#34

ChemMol: 98000212, 1202473
eMolecules: 486475
Molport: MolPort-000-872-025
Acros Organics: 18100
AK Scientific: 3305AA...211 total

ref: mol2, SDF, SMILES, flexibase
2.14,2.16,-3.31,1,1,0, 128.558, 0
2015928
 
#35

ChemMol: 30112325, 44005619
Molport: MolPort-003-844-371
AK Scientific: V2105
American Custom Chemicals Corp.: API0010038
APIChem: AC-6112...219 total

ref: mol2, SDF, SMILES, flexibase
1.22,5.36,-10.23,4,7,0, 286.339, 4
lo: mol2, SDF, SMILES, flexibase
1.22,5.75,-28.77,5,7,1, 287.347, 4

Similar to: 6380547, 6385372, 6437625, 6481930, 6585219, ... 8 in total.
2015927
 
#36

Bosche Scientific: A6975
MicroSource Pharmakon: 01502410
MicroSource US Drugs: 01502410
Tractus: TRA0022458
BindingDB.org: 50128947...39 total

ref: mol2, SDF, SMILES, flexibase
1.22,5.28,-10.07,4,7,0, 286.339, 4

Similar to: 6380547, 6385372, 6437625, 6481930, 6585219, ... 8 in total.
1916
 
#37

Aldrich CPR: T332364|ALDRICH
Chembo Pharma: KB-79974
Labotest: LT00455073
Labotest Building Blocks: LT00455073
MicroSource Pharmakon: 01500472...48 total

ref: mol2, SDF, SMILES, flexibase
0.50,2.26,-19.27,3,4,0, 178.191, 2
584092
 
#38

ChemMol: 30109962, 97301161
AKOS: AKOS005107777
Alinda Building Blocks: ALBB-028958
Anward: ANW-41658
APIChem: AC-4227...134 total

ref: mol2, SDF, SMILES, flexibase
5.54,11.71,-10.11,0,4,0, 360.837, 7

Similar to: 26895588, 33754608, 33754609, 33754611, 33754613, ... 8 in total.
3778874
 
#39

ChemMol: 83600030, 30102792, 1031263, 44002861
AK Scientific: H020
AKOS: AKOS005145822
Anward: ANW-48664
APIChem: AC-1193...108 total

ref: mol2, SDF, SMILES, flexibase
2.15,10.78,-13.32,0,5,0, 285.31, 3

Similar to: 34462963, 34462964, 34462965,
66322866
 
#40

MicroSource Pharmakon: 01502343
MicroSource US Drugs: 01502343
Collaborative Drug Discovery: 1351545
MicroSource Spectrum: 01502343
PubChem: 60148444...6 total

ref: mol2, SDF, SMILES, flexibase
3.54,8.27,-7,1,2,0, 312.453, 0
66322867
 
#41

MicroSource Pharmakon: 01502343
MicroSource US Drugs: 01502343
MicroSource Spectrum: 01502343
PubChem: 60148444
SMDC Pharmakon: 756734...5 total

ref: mol2, SDF, SMILES, flexibase
3.54,8.24,-6.8,1,2,0, 312.453, 0
1530755
 
#42

eMolecules: 593939
AKOS: AKOS001740866
Apollo Scientific Bioactives: BISC1044
BioBlocks: A2230/0093886
BioBlocks BB: ZERO/001429...103 total

ref: mol2, SDF, SMILES, flexibase
9.46,15.79,-5.38,2,2,0, 516.857, 8
8036004
 
#43

MicroSource Pharmakon: 01502264
MicroSource US Drugs: 01502264
Tocris: 1371
ChEMBL DrugStore: CHEMBL144620
ChEMBL12: CHEMBL144620...18 total

ref: mol2, SDF, SMILES, flexibase
-0.58,-2.83,-15.15,5,5,0, 217.14, 2
1609441
 
#44

MicroSource Pharmakon: 01502269
MicroSource US Drugs: 01502269
Individual Suppliers: UNNAMED00000076
MicroSource Spectrum: 01502269
PubChem: 57662100...9 total

ref: mol2, SDF, SMILES, flexibase
0.12,-9.01,-11.06,4,8,0, 303.681, 2

Similar to: 5760032, 5760034, 5760036, 5760038, ... 4 in total.
3798247
 
#45

ChemMol: 44007437, 30109113, 97900793
ACT Chemical BB: ACT05522
Active BioPharma: 1645
American Custom Chemicals Corp.: API0002064
APIChem: AC-274...70 total

ref: mol2, SDF, SMILES, flexibase
0.12,-8.62,-11.55,4,8,0, 303.681, 2

Similar to: 5760032, 5760034, 5760036, 5760038, ... 4 in total.
1543873
 
#46

ChemMol: 30109509, 2101381, 44010606
eMolecules: 1989084
AKOS: AKOS015966648
Anward: ANW-43951
Apexmol Building Blocks: AM20030018...104 total

ref: mol2, SDF, SMILES, flexibase
2.47,4.41,-18.87,3,5,0, 264.325, 8

Similar to: 23636369,
49015568
 
#47

MicroSource Pharmakon: 01502271
MicroSource US Drugs: 01502271
Ryan Scientific BB: 074-60328
Zylexa Pharma BB: ZP-BB-AL008586
AKOS BB (make-on-demand): AKOS015951174...14 total

ref: mol2, SDF, SMILES, flexibase
1.88,0.22,-16.78,3,9,0, 359.354, 7

Similar to: 22055740, 22055744, 40878655, 11616162, 11616163, ... 5 in total.
3806413
 
#48

ChemMol: 44005907, 97602837
Acorn PharmaTech: ACN-S001561
AKOS: AKOS015920130
American Custom Chemicals Corp.: API0001833
Apexmol Building Blocks: AM84502...134 total

ref: mol2, SDF, SMILES, flexibase
1.88,-6.22,-19.62,3,9,0, 359.354, 7

Similar to: 11616162, 11616163,
19632614
 
#49

ChemMol: 30107526, 2100007, 97900109, 44005989
Molport: MolPort-020-007-837
Active BioPharma: 190
AK Scientific: X5007, H018
AKOS: AKOS000280752...179 total

ref: mol2, SDF, SMILES, flexibase
4.19,8.75,-11.24,1,7,0, 446.91, 8
mid: mol2, SDF, SMILES, flexibase
3.93,9.92,-78.3,3,7,2, 448.926, 7

Similar to: 34365256, 34395040, 35920842, 38432165, 38733532, ... 6 in total.
941
 
#50

ChemMol: 44001931, 30102648, 97900677
eMolecules: 901391
Active BioPharma: 1457
AK Scientific: H093
AKOS: AKOS015894980...133 total

ref: mol2, SDF, SMILES, flexibase
2.85,11.46,-17.13,0,5,0, 293.374, 4

Similar to: 44699428, 44699430,
49142
 
#51

ChemMol: 30107601
eMolecules: 511873
Molport: MolPort-001-838-192
AK Scientific: V1488, K058
Aldrich CPR: L100811|ALDRICH...78 total

ref: mol2, SDF, SMILES, flexibase
0.38,1.58,-12.67,3,7,0, 280.309, 4
mid: mol2, SDF, SMILES, flexibase
0.38,1.25,-52.72,2,7,-1, 279.301, 4

Similar to: 5345252, 5889309, 32106291,
896887
 
#52

ChemMol: 30105023
Aldrich CPR: PH000124|ALDRICH
APIChem: AC-15962
Bosche Scientific: P3556
MicroSource Pharmakon: 01505458...42 total

ref: mol2, SDF, SMILES, flexibase
1.18,5.12,-8.58,0,3,0, 189.214, 1
ref: mol2, SDF, SMILES, flexibase
1.18,5.11,-8.58,0,3,0, 189.214, 1

Similar to: 3640163, 4127670, 5761631, 35822811, 41654633, ... 7 in total.
38166911
 
#53

MicroSource Pharmakon: 01501175
MicroSource US Drugs: 01501175
Collaborative Drug Discovery: 14200
MicroSource Spectrum: 01501175
PubChem: 51892596...9 total

ref: mol2, SDF, SMILES, flexibase
2.61,5.79,-16.63,2,6,0, 436.52, 2
38166912
 
#54

MicroSource Pharmakon: 01501175
MicroSource US Drugs: 01501175
Collaborative Drug Discovery: 14200
MicroSource Spectrum: 01501175
PubChem: 51892597...9 total

ref: mol2, SDF, SMILES, flexibase
2.61,6.05,-19.86,2,6,0, 436.52, 2
3977851
 
#55

MicroSource Pharmakon: 01501175
MicroSource US Drugs: 01501175
Collaborative Drug Discovery: 14200
MicroSource Spectrum: 01501175
PubChem: 40469446...9 total

ref: mol2, SDF, SMILES, flexibase
2.61,4.99,-15.14,2,6,0, 436.52, 2

Similar to: 3977852, 3977853, 3977854, 4097308, 8035285, ... 20 in total.
3977853
 
#56

MicroSource Pharmakon: 01501175
MicroSource US Drugs: 01501175
Collaborative Drug Discovery: 14200
MicroSource Spectrum: 01501175
PubChem: 40469448...9 total

ref: mol2, SDF, SMILES, flexibase
2.61,5.3,-15.78,2,6,0, 436.52, 2

Similar to: 3977854, 4097308, 8035285, 8602519, 8602521, ... 20 in total.
3977837
 
#57

Aldrich CPR: R201545|ALDRICH
Mcule: MCULE-3573201137
MicroSource Pharmakon: 01501187
MicroSource US Drugs: 01501187
Sigma Aldrich (Building Blocks): F5021|SIGMA...23 total

ref: mol2, SDF, SMILES, flexibase
2.59,4.57,-20.13,2,6,0, 434.504, 2

Similar to: 3977838, 3977839, 3977840, 4097305, 4097306, ... 18 in total.
3977838
 
#58

Aldrich CPR: R201545|ALDRICH
Mcule: MCULE-3573201137
MicroSource Pharmakon: 01501187
MicroSource US Drugs: 01501187
Sigma Aldrich (Building Blocks): F5021|SIGMA...24 total

ref: mol2, SDF, SMILES, flexibase
2.59,4.42,-16.28,2,6,0, 434.504, 2

Similar to: 3977839, 3977840, 4097305, 4097306, 5727806, ... 20 in total.
3977839
 
#59

Aldrich CPR: R201545|ALDRICH
MicroSource Pharmakon: 01501187
MicroSource US Drugs: 01501187
Sigma Aldrich (Building Blocks): F5021|SIGMA
TimTec: ST50411377...15 total

ref: mol2, SDF, SMILES, flexibase
2.59,6.17,-21.11,2,6,0, 434.504, 2

Similar to: 3977840, 4097305, 4097306, 5727806, 5727807, ... 20 in total.
3977840
 
#60

Aldrich CPR: R201545|ALDRICH
MicroSource Pharmakon: 01501187
MicroSource US Drugs: 01501187
Sigma Aldrich (Building Blocks): F5021|SIGMA
TimTec: ST50411377...15 total

ref: mol2, SDF, SMILES, flexibase
2.59,4.96,-18.87,2,6,0, 434.504, 2

Similar to: 4097305, 4097306, 5727806, 5727807, 5727821, ... 20 in total.
3983935
 
#61

MicroSource Pharmakon: 01501196
MicroSource US Drugs: 01501196
Collaborative Drug Discovery: 15031
MicroSource Spectrum: 01501196
PubChem: 40469854...10 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.86,-19.83,3,5,0, 410.457, 2

Similar to: 3983936, 3983937, 3983938, 4655120, 4655121, ... 37 in total.
3983936
 
#62

ChemMol: 44006067, 30107685
American Custom Chemicals Corp.: API0002723
APIChem: AC-2069
Ark Pharm Building Blocks: AK124363
Bide Pharmatech BB: BD130485...82 total

ref: mol2, SDF, SMILES, flexibase
2.07,4.02,-18.34,3,5,0, 410.457, 2

Similar to: 3983937, 3983938, 4655120, 4655121, 4655122, ... 41 in total.
3983937
 
#63

MicroSource Pharmakon: 01501196
MicroSource US Drugs: 01501196
Collaborative Drug Discovery: 15031
MicroSource Spectrum: 01501196
PubChem: 40469855...10 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.82,-15.76,3,5,0, 410.457, 2

Similar to: 3983938, 4655120, 4655121, 4655122, 4655123, ... 41 in total.
3983938
 
#64

MicroSource Pharmakon: 01501196
MicroSource US Drugs: 01501196
Collaborative Drug Discovery: 15031
MicroSource Spectrum: 01501196
PubChem: 57776409...12 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.56,-13.96,3,5,0, 410.457, 2

Similar to: 4655120, 4655121, 4655122, 4655123, 4887575, ... 41 in total.
3995807
 
#65

Cayman Chemical: 10011269
MicroSource Pharmakon: 01502281
MicroSource US Drugs: 01502281
Tocris: 2320
BindingDB.org: 50058937...25 total

ref: mol2, SDF, SMILES, flexibase
7.96,-0.31,-17.21,2,3,0, 606.782, 15

Similar to: 3995809, 3995811, 11616093, 26265317, 26265324, ... 9 in total.
29213654
 
#66

Cayman Chemical: 10011269
MicroSource Pharmakon: 01502281
MicroSource US Drugs: 01502281
BindingDB.org: 50057665, 50058937
Individual Suppliers: UNNAMED00000569...16 total

ref: mol2, SDF, SMILES, flexibase
7.96,13.64,-17.61,2,3,0, 606.782, 15
3995809
 
#67

Chembo Pharma: KB-77473
MicroSource Pharmakon: 01502281
MicroSource US Drugs: 01502281
Prestwick Chemical: Prestw-1424
Sigma Aldrich (Building Blocks): I4409|SIGMA...56 total

ref: mol2, SDF, SMILES, flexibase
7.96,-0.35,-17.82,2,3,0, 606.782, 15

Similar to: 3995811, 11616093, 26265317, 26265324, 35018746, ... 9 in total.
29213660
 
#68

MicroSource Pharmakon: 01502281
MicroSource US Drugs: 01502281
BindingDB.org: 50057665
MicroSource Spectrum: 01502281
PubChem: 17756970...7 total

ref: mol2, SDF, SMILES, flexibase
7.96,13.31,-20.36,2,3,0, 606.782, 15
1693850
 
#69

ChemMol: 30109745, 44010599
Molport: MolPort-023-220-514
AK Scientific: R077
APIChem: AC-3548
Boerchem Pharmatech BB: BC677676...19 total

ref: mol2, SDF, SMILES, flexibase
-1.28,-6.52,-15.36,5,10,0, 297.271, 3

Similar to: 5760951, 5821566, 5863040, 22063177, 34646761, ... 6 in total.
3823492
 
#70

ChemMol: 2100059, 30109745, 44010599
Molport: MolPort-023-220-514
AK Scientific: R077
AKOS: AKOS015920191, AKOS015852325
American Custom Chemicals Corp.: API0003528...70 total

ref: mol2, SDF, SMILES, flexibase
-1.28,-12.61,-15.97,5,10,0, 297.271, 3

Similar to: 5760951, 5821566, 5863040, 22063177, 34646761, ... 6 in total.
1482184
 
#71

ChemMol: 44002972, 2100096, 30102971
AK Scientific: H027
AKOS: AKOS005557098
Alinda Building Blocks: ALBB-021358
Anward: ANW-43023...124 total

ref: mol2, SDF, SMILES, flexibase
-1.90,-0.18,-10.41,2,8,0, 194.154, 1

Similar to: 34561878, 36466906,
24946
 
#72

ChemMol: 44014076, 30101918
eMolecules: 511012
Molport: MolPort-001-815-618
AK Scientific: 1957AB, P787
APIChem: AC-12110...56 total

ref: mol2, SDF, SMILES, flexibase
1.01,4.48,-11.73,4,6,0, 260.297, 4
mid: mol2, SDF, SMILES, flexibase
1.01,4.97,-39.33,5,6,1, 261.305, 4

Similar to: 38241914, 38241915, 38245002, 39316072, 39316074, ... 9 in total.
3831006
 
#73

ChemMol: 30100531, 44000802
AK Scientific: H651
Angene Building Blocks: AGN-PC-09ZN2M
Apexmol Building Blocks: AM20070540
APIChem: AC-8062...78 total

ref: mol2, SDF, SMILES, flexibase
2.97,4.1,-3.9,1,5,0, 233.699, 4

Similar to: 39243733,
15449338
 
#74

MicroSource Pharmakon: 01505720
MicroSource US Drugs: 01505720
Molport BB: MolPort-003-666-850
AK Scientific (Depleted): 69483
ChEMBL12: CHEMBL13648...11 total

ref: mol2, SDF, SMILES, flexibase
5.06,13.39,-10.56,0,4,0, 448.603, 2

Similar to: 607700, 3830648, 3830649, 3830650, 3830651, ... 9 in total.
15449337
 
#75

MicroSource Pharmakon: 01505720
MicroSource US Drugs: 01505720
Molport BB: MolPort-003-666-850
AK Scientific (Depleted): 69483
ChEMBL12: CHEMBL13648...9 total

ref: mol2, SDF, SMILES, flexibase
5.06,12.05,-8.91,0,4,0, 448.603, 2

Similar to: 607700, 3830648, 3830649, 3830650, 3830651, ... 9 in total.
39741206
 
#76

MicroSource Pharmakon: 01505720
MicroSource US Drugs: 01505720
Molport BB: MolPort-003-666-850
Ryan Scientific BB: 079-58192
AK Scientific (Depleted): 69483...10 total

ref: mol2, SDF, SMILES, flexibase
5.06,13.26,-10.21,0,4,0, 448.603, 2

Similar to: 8552617, 8552616, 8552615, 8552614, 4172334, ... 9 in total.
39741209
 
#77

MicroSource Pharmakon: 01505720
MicroSource US Drugs: 01505720
Molport BB: MolPort-003-666-850
AK Scientific (Depleted): 69483
ChEMBL12: CHEMBL13648...9 total

ref: mol2, SDF, SMILES, flexibase
5.06,13.29,-8.77,0,4,0, 448.603, 2

Similar to: 8552617, 8552616, 8552615, 8552614, 4172334, ... 9 in total.
1899
 
#78

ChemMol: 44001534, 30101015
Molport: MolPort-003-849-798
APIChem: AC-8067
Boerchem Pharmatech BB: BC201722
Bosche Scientific: P0841...89 total

ref: mol2, SDF, SMILES, flexibase
-1.48,0.54,-21.38,5,8,0, 253.262, 5

Similar to: 1543231,
1532585
 
#79

Alfa-Aesar: A11764, A14495
Angene Building Blocks: AGN-PC-0UPRCQ
Anward: ANW-43762
Ark Pharm Building Blocks: AK-77706
Aronis: c05476...81 total

ref: mol2, SDF, SMILES, flexibase
-0.76,-5.45,-21.72,5,10,0, 376.369, 5

Similar to: 1769096, 2036848, 3647620, 3649541, 3649884, ... 31 in total.
5878
 
#80

ChemMol: 44010116
eMolecules: 490874
Molport: MolPort-001-783-876
Scientific Exchange (make on demand): H-045701
TCM Database @ Taiwan: tcm03_006268...360 total

ref: mol2, SDF, SMILES, flexibase
-0.48,-0.49,-8.63,2,3,0, 122.127, 1
1341
 
#81

ChemMol: 44007784
AK Scientific: Y5827
Angene Building Blocks: AGN-PC-0JK8H4
Anward: ANW-64241
Ark Pharm Building Blocks: AK-95497...106 total

ref: mol2, SDF, SMILES, flexibase
-2.06,4.96,-29.63,1,2,1, 166.244, 2
hi: mol2, SDF, SMILES, flexibase
-2.06,5.72,-41.43,0,2,0, 165.236, 2
61389579
 
#82

MicroSource Pharmakon: 01505880
MicroSource US Drugs: 01505880
Ryan Scientific: 048-04586
Ryan Scientific BB: 093-61883
MicroSource Spectrum: 01505880...10 total

ref: mol2, SDF, SMILES, flexibase
3.48,10.88,-21.52,1,7,0, 494.531, 6
4212938
 
#83

ChemMol: 30109771
AK Scientific: Q944
American Custom Chemicals Corp.: API0002349, API0009037
APIChem: AC-3515
BioSynth: Q-101374...46 total

ref: mol2, SDF, SMILES, flexibase
3.48,11.02,-19.82,1,7,0, 494.531, 6

Similar to: 8035341, 8585114, 8602579, 8602581, 8622320, ... 22 in total.
61389582
 
#84

MicroSource Pharmakon: 01505880
MicroSource US Drugs: 01505880
Ryan Scientific: 048-04586
Ryan Scientific BB: 093-61883
MicroSource Spectrum: 01505880...10 total

ref: mol2, SDF, SMILES, flexibase
3.48,10.82,-16.54,1,7,0, 494.531, 6
38577984
 
#85

MicroSource Pharmakon: 01505880
MicroSource US Drugs: 01505880
Ryan Scientific: 048-04586
Ryan Scientific BB: 093-61883
MicroSource Spectrum: 01505880...11 total

ref: mol2, SDF, SMILES, flexibase
3.48,10.69,-16.21,1,7,0, 494.531, 6

Similar to: 4212938, 8035341, 8585114, 8602579, 8602581, ... 9 in total.
3915645
 
#86

ChemMol: 44003634, 30103940
American Custom Chemicals Corp.: API0003165
Apexmol Building Blocks: AM84381
APIChem: AC-1752
BOC Sciences BB: 131741-08-7...59 total

ref: mol2, SDF, SMILES, flexibase
2.67,0.14,-12.25,2,7,0, 280.291, 3

Similar to: 34441643, 34441646, 34441662, 34441665, 34441668, ... 14 in total.
450
 
#87

AK Scientific: W0052
Aldrich CPR: S423300|ALDRICH
Alfa-Aesar: B21928
Element Store BB: b2star-59-47-2
FineTech: FT-0628209...59 total

ref: mol2, SDF, SMILES, flexibase
1.12,0.21,-8.68,2,3,0, 182.219, 4

Similar to: 154957, 1561583,
154957
 
#88

AK Scientific: W0052
Aldrich CPR: S423300|ALDRICH
Alfa-Aesar: B21928
Element Store BB: b2star-59-47-2
FineTech: FT-0628209...58 total

ref: mol2, SDF, SMILES, flexibase
1.12,0.21,-8.67,2,3,0, 182.219, 4

Similar to: 1561583, 32134406, 32134408, 32134616, 32134617, ... 28 in total.
32911469
 
#89

ChemMol: 44010551, 30100412
eMolecules: 496706
Molport: MolPort-000-860-873
Scientific Exchange (make on demand): Z-043818
Acros Organics: 11194...104 total

ref: mol2, SDF, SMILES, flexibase
0.32,4.05,-9.98,0,4,0, 168.148, 1
mid: mol2, SDF, SMILES, flexibase
0.67,4.12,-40.48,0,4,-1, 167.14, 1

Similar to: 34445819, 34445822, 34445825, 34445828, 38433797, ... 13 in total.
3830838
 
#90

Molport: MolPort-008-322-982, MolPort-002-534-105
AK Scientific: H045
AKOS: AKOS005612990
Anward: ANW-43448
IBScreen NP: STOCK1N-66429...38 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.59,-10.99,2,4,0, 372.553, 2

Similar to: 3881972, 3881973, 5852719, 5852751, 5852773, ... 12 in total.
3830840
 
#91

Molport: MolPort-008-322-982, MolPort-002-534-105
AK Scientific: H045
AKOS: AKOS005612990
Anward: ANW-43448
IBScreen NP: STOCK1N-66429...36 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.49,-11.1,2,4,0, 372.553, 2

Similar to: 3881972, 3881973, 5852719, 5852751, 5852773, ... 12 in total.
3881972
 
#92

Molport: MolPort-002-534-105, MolPort-002-507-427
IBScreen BuildingBlocks: BB_NC-01453
IBScreen NP: STOCK1N-66429
MicroSource Pharmakon: 01506069
MicroSource US Drugs: 01506069...31 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.44,-12.33,2,4,0, 372.553, 2

Similar to: 3881973, 5852719, 5852734, 5852751, 5852773, ... 13 in total.
3782599
 
#93

ChemMol: 30107684, 44000093, 97602833, 30102358
Molport: MolPort-002-534-105
AKOS: AKOS015894916
Amadis Chemical: A845840
APIChem: AC-1292...118 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.36,-13.16,2,4,0, 372.553, 2

Similar to: 3881972, 3881973, 5852719, 5852751, 5852773, ... 17 in total.
897408
 
#94

ChemMol: 30101941, 44002311, 97900772
Molport: MolPort-003-845-034, MolPort-027-564-887
Acorn PharmaTech: ACN-S001716
Active BioPharma: 1611
AKOS: AKOS015895073...137 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.04,-16.77,2,6,0, 430.379, 6

Similar to: 38733215, 538564,
538564
 
#95

ChemMol: 30101941, 97900772, 44002311
eMolecules: 3715698
Molport: MolPort-027-564-887, MolPort-003-845-034
Acorn PharmaTech: ACN-S001716
Active BioPharma: 1611...162 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.05,-16.95,2,6,0, 430.379, 6

Similar to: 897408, 38733215,
15449280
 
#96

MicroSource Pharmakon: 01505438
MicroSource US Drugs: 01505438
MicroSource Spectrum: 01505438
PubChem: 51546382, 45006145
SMDC Pharmakon: 735786...7 total

ref: mol2, SDF, SMILES, flexibase
3.75,8.49,-18.56,2,6,0, 446.584, 7

Similar to: 27850989, 27850996, 27855252, 27855258, 27855454, ... 25 in total.
15449278
 
#97

MicroSource Pharmakon: 01505438
MicroSource US Drugs: 01505438
MicroSource Spectrum: 01505438
PubChem: 51546381, 45006145
SMDC Pharmakon: 735786...7 total

ref: mol2, SDF, SMILES, flexibase
3.75,8.47,-19.06,2,6,0, 446.584, 7

Similar to: 15449280, 27850989, 27850996, 27855252, 27855258, ... 24 in total.
39741197
 
#98

MicroSource Pharmakon: 01505438
MicroSource US Drugs: 01505438
MicroSource Spectrum: 01505438
PubChem: 51921620
SMDC Pharmakon: 735786...6 total

ref: mol2, SDF, SMILES, flexibase
3.75,8.87,-21.29,2,6,0, 446.584, 7

Similar to: 44670776, 44672460, 44672469,
39741200
 
#99

MicroSource Pharmakon: 01505438
MicroSource US Drugs: 01505438
MicroSource Spectrum: 01505438
PubChem: 51921621
SMDC Pharmakon: 735786...6 total

ref: mol2, SDF, SMILES, flexibase
3.75,9.49,-23.92,2,6,0, 446.584, 7

Similar to: 44670776, 44672460, 44672469,
56427
 
#100

Acorn PharmaTech: ACN-S001991
BioSynth: Q-200894
Bosche Scientific: C1607
FineTech: FT-0603174
Labotest: LT00244806...63 total

ref: mol2, SDF, SMILES, flexibase
3.03,8.26,-9.08,0,2,0, 203.285, 3

Similar to: 12503076, 34542129,

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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 = 606 ) limit 0,100

Smiles were