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1713761
 
#1

eMolecules: 492142
Molport: MolPort-001-783-584
Scientific Exchange (make on demand): F-182718
AKOS: AKOS003390166
Alinda: IBS-L0036103...54 total

ref: mol2, SDF, SMILES, flexibase
0.38,3.48,-12.83,3,6,0, 298.346, 7
3977786
 
#2

MicroSource Pharmakon: 01503427
MicroSource World Drugs: 01503427
MolMall (Depleted): 9756
MolMall (formerly Molecular Diversity Preservation International): 19252
Collaborative Drug Discovery: 14056...9 total

ref: mol2, SDF, SMILES, flexibase
-0.08,-7.71,-16.88,7,10,0, 434.397, 4
hi: mol2, SDF, SMILES, flexibase
-0.08,-6.72,-63.06,6,10,-1, 433.389, 4
hi: mol2, SDF, SMILES, flexibase
-0.08,-6.72,-66.89,6,10,-1, 433.389, 4

Similar to: 3977787, 8674071, 8674072, 13783526, 13783527, ... 8 in total.
3977787
 
#3

MicroSource Pharmakon: 01503427
MicroSource World Drugs: 01503427
Collaborative Drug Discovery: 14056
Individual Suppliers: UNNAMED00000028, UNNAMED00000631
PubChem: 40469422...9 total

ref: mol2, SDF, SMILES, flexibase
-0.08,-7.71,-16.35,7,10,0, 434.397, 4
hi: mol2, SDF, SMILES, flexibase
-0.08,-6.71,-64.23,6,10,-1, 433.389, 4
hi: mol2, SDF, SMILES, flexibase
-0.08,-6.71,-64.86,6,10,-1, 433.389, 4

Similar to: 8674071, 8674072, 13783526, 13783527, 14984476, ... 8 in total.
608250
 
#4

ChemMol: 44006864, 30108793
Glutathione Transferrase GST-EFI: Chlorpyriphos_(CPP)
AK Scientific: H175, O799
APIChem: AC-993
Boerchem Pharmatech BB: BC220240...67 total

ref: mol2, SDF, SMILES, flexibase
5.16,8.32,-14.54,0,4,0, 350.591, 6

Similar to: 5862149, 5862885,
1996306
 
#5

ChemMol: 97900314, 30114597
Molport: MolPort-003-846-106
Active BioPharma: 616
AK Scientific: M228, H997
AKOS: AKOS015899999...145 total

ref: mol2, SDF, SMILES, flexibase
6.39,14.13,-8.57,0,4,0, 416.304, 7

Similar to: 5761053, 5761054, 5761299, 5761300, 5765646, ... 99 in total.
2526765
 
#6

ChemMol: 30114597, 97900314
Molport: MolPort-003-846-106
Active BioPharma: 616
AK Scientific: M228, H997
AKOS: AKOS015899999...137 total

ref: mol2, SDF, SMILES, flexibase
6.39,14.2,-9.47,0,4,0, 416.304, 7

Similar to: 21299910, 31361193, 31361195, 31361197, 31361198, ... 89 in total.
3872177
 
#7

ChemMol: 30114597, 97900314
Molport: MolPort-023-220-425, MolPort-003-846-106
Active BioPharma: 616
AK Scientific: M228, O181, H997, S250
AKOS: AKOS015899999...163 total

ref: mol2, SDF, SMILES, flexibase
6.39,14.19,-8.81,0,4,0, 416.304, 7

Similar to: 21299910, 31361193, 31361195, 31361197, 31361198, ... 89 in total.
3872178
 
#8

ChemMol: 30114597, 97900314, 30102326
Molport: MolPort-003-846-106
Active BioPharma: 616
AK Scientific: H997, M228
AKOS: AKOS015899999...168 total

ref: mol2, SDF, SMILES, flexibase
6.39,14.12,-8.18,0,4,0, 416.304, 7

Similar to: 21299910, 31361193, 31361195, 31361197, 31361198, ... 89 in total.
1443
 
#9

ChemMol: 44004730, 30105629
APIChem: AC-16722
Boerchem Pharmatech BB: BC210748
Bosche Scientific: F1401
Element Store BB: b2star-55-38-9...51 total

ref: mol2, SDF, SMILES, flexibase
3.86,9.46,-14.45,0,3,0, 278.335, 5

Similar to: 8549283,
538174
 
#10

Chembo Pharma: KB-193137
Element Store BB: b2star-32828-81-2
MicroSource Pharmakon: 01506030
MicroSource World Drugs: 01506030
Prestwick Chemical: 119...53 total

ref: mol2, SDF, SMILES, flexibase
1.18,5.75,-16.89,2,7,0, 376.416, 7

Similar to: 31561622, 34231094, 38441658, 39351295, 39351296, ... 6 in total.
1590885
 
#11

TCM Database @ Taiwan: 27805
AK Scientific: S257
BOC Sciences BB: 114-26-1
Bosche Scientific: P1997
Chembo Pharma: KB-231050...59 total

ref: mol2, SDF, SMILES, flexibase
1.67,3.88,-11.25,1,4,0, 209.245, 4

Similar to: 3644076, 31881118,
26252414
 
#12

MicroSource Pharmakon: 01505167
MicroSource World Drugs: 01505167
MicroSource Spectrum: 01505167
PubChem: 10988942, 16667722
SMDC Public: 735841...8 total

ref: mol2, SDF, SMILES, flexibase
-2.50,-8.42,-19.65,7,9,0, 258.234, 3

Similar to: 49017575, 3798074, 4877289, 4877291, 4877292, ... 11 in total.
3798074
 
#13

Molport: MolPort-002-070-458
Acros Organics: 39892
AK Scientific: AMTNS043, Y0547
Ark Pharm Building Blocks: AK-28518
BePharm Building Blocks: B7017...54 total

ref: mol2, SDF, SMILES, flexibase
-2.50,-8.5,-13.37,7,9,0, 258.234, 3

Similar to: 4877289, 4877291, 4877292, 4877294, 11616871, ... 12 in total.
865
 
#14

Aldrich CPR: S598038|ALDRICH
Ark Pharm Building Blocks: AK-55954
Chembo Pharma: KB-230931
MicroSource Pharmakon: 01501170
MicroSource World Drugs: 01501170...43 total

ref: mol2, SDF, SMILES, flexibase
3.05,5.62,-15.26,2,5,0, 271.272, 4
hi: mol2, SDF, SMILES, flexibase
3.05,6.63,-58.56,1,5,-1, 270.264, 4
4538773
 
#15

MedChem Express: HY-B1026
MicroSource Pharmakon: 01301013
MicroSource World Drugs: 01301013
NCI Plated 2007: 27132
ChEMBL DrugStore: CHEMBL2105967...11 total

ref: mol2, SDF, SMILES, flexibase
0.33,-2.28,-18.29,4,6,0, 274.361, 12

Similar to: 5193237, 5368828, 8035017, 11638641, 36294576, ... 7 in total.
3875768
 
#16

eMolecules: 476308
Molport: MolPort-001-495-598
Acros Organics: 14880
AK Scientific: R315
AKOS: AKOS001051769...74 total

ref: mol2, SDF, SMILES, flexibase
0.56,1.3,-11.42,3,2,0, 116.189, 3
8579603
 
#17

CCP W191G binders: MFCD00005325
ChemMol: 44010272, 97804499
eMolecules: 477239
Molport: MolPort-002-323-929, MolPort-023-219-642, MolPort-000-872-071
Scientific Exchange (make on demand): POD_14/0948...187 total

ref: mol2, SDF, SMILES, flexibase
0.48,0.61,-5.02,2,2,0, 100.146, 0
lo: mol2, SDF, SMILES, flexibase
0.48,1.12,-27.14,3,2,1, 101.154, 0
8143788
 
#18

TCM Database @ Taiwan: tcm03_000635, 33645
BioSynth: Q-200651
IBScreen Bioactives: Bio-0301
MicroSource Pharmakon: 01503042
MicroSource World Drugs: 01503042...61 total

ref: mol2, SDF, SMILES, flexibase
3.32,-0.99,-12.65,0,5,0, 282.336, 0

Similar to: 8681831, 8830681, 8830682, 8830683, 43273680, ... 37 in total.
8214360
 
#19

MicroSource Pharmakon: 01505033
MicroSource World Drugs: 01505033
Toronto Research Chemicals: A774300
BindingDB.org: 50426305
ChEMBL DrugStore: CHEMBL301267...27 total

ref: mol2, SDF, SMILES, flexibase
3.77,-2.15,-5.89,0,5,0, 312.406, 2

Similar to: 8214363, 14263142, 38141493, 38158632, 38158633, ... 11 in total.
8214363
 
#20

MicroSource Pharmakon: 01505033
MicroSource World Drugs: 01505033
Toronto Research Chemicals: A774295
ChEMBL12: CHEMBL146937
ChEMBL19: CHEMBL146937...10 total

ref: mol2, SDF, SMILES, flexibase
3.77,-1.25,-5.5,0,5,0, 312.406, 2

Similar to: 14263142, 38141493, 38158632, 38158633, 42764281, ... 11 in total.
15449189
 
#21

eMolecules: 4814206
BioSynth: Q-100792
IBScreen NP: STOCK1N-46169
MicroSource Pharmakon: 01504143
MicroSource World Drugs: 01504143...22 total

ref: mol2, SDF, SMILES, flexibase
2.78,3.66,-6.09,1,5,0, 284.352, 0

Similar to: 43242040, 43381901, 43382000, 43382001, 43706656, ... 9 in total.
15449187
 
#22

eMolecules: 4814206
IBScreen NP: STOCK1N-46169
MicroSource Pharmakon: 01504143
MicroSource World Drugs: 01504143
Toronto Research Chemicals: D448362...43 total

ref: mol2, SDF, SMILES, flexibase
2.78,3.29,-6.48,1,5,0, 284.352, 0

Similar to: 15449189, 43242040, 43328083, 43328084, 43381900, ... 12 in total.
1529592
 
#23

ChemMol: 83601040
eMolecules: 480940
TCM Database @ Taiwan: 33953
Acros Organics: 40213
AKOS: AKOS000212138...89 total

ref: mol2, SDF, SMILES, flexibase
3.01,4.91,-2.94,0,1,0, 149.218, 2
mid: mol2, SDF, SMILES, flexibase
3.01,5.47,-29.74,1,1,1, 150.226, 2
57731
 
#24

AfroDb Natural Products: BMC_0008
ChemMol: 30107796
eMolecules: 493895
Molport: MolPort-000-880-879
TCM Database @ Taiwan: tcm03_005454...93 total

ref: mol2, SDF, SMILES, flexibase
2.28,5.76,-10.08,0,4,0, 216.192, 1

Similar to: 32266790,
404304
 
#25

eMolecules: 595565
Acros Organics: 10655
AK Scientific: V0308, M580
Aldrich CPR: S351547|ALDRICH
Alfa-Aesar: B22957...77 total

ref: mol2, SDF, SMILES, flexibase
3.05,3.3,-4.81,0,2,0, 196.29, 2

Similar to: 2143290, 2143292, 4800575, 4800576, 5046170, ... 19 in total.
388664
 
#26

eMolecules: 595565
TCM Database @ Taiwan: 34158, tcm03_000946, 40337
Acros Organics: 10655
AK Scientific: M580, V0308
Aldrich CPR: S351547|ALDRICH...90 total

ref: mol2, SDF, SMILES, flexibase
3.05,3.24,-4.98,0,2,0, 196.29, 2

Similar to: 4800575, 4800576, 5046170, 5166322, 5166553, ... 15 in total.
1064
 
#27

ChemMol: 96700212, 30111516
eMolecules: 537320
Molport: MolPort-000-877-520
AK Scientific: R343
AKOS: AKOS005489208...109 total

ref: mol2, SDF, SMILES, flexibase
3.48,3.28,-5.93,1,2,0, 302.953, 0
mid: mol2, SDF, SMILES, flexibase
3.48,4.05,-40.83,0,2,-1, 301.945, 0
3860152
 
#28

ChemMol: 44031909
eMolecules: 474741
Scientific Exchange (make on demand): H-049390
Acros Organics: 10258
AK Scientific: R109...57 total

ref: mol2, SDF, SMILES, flexibase
-0.02,1.29,-16.17,1,3,0, 159.21, 1

Similar to: 38482214, 38482215, 39899474, 39899475, ... 4 in total.
3860153
 
#29

ChemMol: 44031909
eMolecules: 474741
Scientific Exchange (make on demand): H-049390
Acros Organics: 10258
AK Scientific: R109...62 total

ref: mol2, SDF, SMILES, flexibase
-0.02,1.29,-16.16,1,3,0, 159.21, 1

Similar to: 38482214, 38482215, 39899474, 39899475, ... 4 in total.
2149829
 
#30

Labotest: LT00771843
MicroSource Pharmakon: 01503206
MicroSource World Drugs: 01503206
Selleck Chemicals: S4394
Tetrahedron Building Blocks: TS66605...29 total

ref: mol2, SDF, SMILES, flexibase
8.20,10.96,-4.05,1,1,0, 365.344, 5
3134173
 
#31

eMolecules: 37232422
Ark Pharm Building Blocks: AK-59123
Chemstep: 30419
Enamine: Z68590334
MicroSource Pharmakon: 01505852...19 total

ref: mol2, SDF, SMILES, flexibase
1.44,-2.3,-10.47,3,3,0, 151.165, 1
8214536
 
#32

MicroSource Pharmakon: 01504513
MicroSource World Drugs: 01504513
ChEMBL DrugStore: CHEMBL91688
ChEMBL12: CHEMBL91688
ChEMBL19: CHEMBL91688...11 total

ref: mol2, SDF, SMILES, flexibase
4.86,0.16,-11.19,2,5,0, 337.46, 13
3875514
 
#33

MicroSource Pharmakon: 01505779
MicroSource World Drugs: 01505779
ChEMBL12: CHEMBL109417
ChEMBL19: CHEMBL109417
MicroSource Spectrum: 01505779...10 total

ref: mol2, SDF, SMILES, flexibase
3.83,1.43,-12.44,1,5,0, 455.378, 4

Similar to: 4212915, 4213678, 4543836, 8606265, 8627079, ... 16 in total.
3875515
 
#34

MicroSource Pharmakon: 01505779
MicroSource World Drugs: 01505779
ChEMBL12: CHEMBL109417
ChEMBL19: CHEMBL109417
MicroSource Spectrum: 01505779...10 total

ref: mol2, SDF, SMILES, flexibase
3.83,1.52,-12.62,1,5,0, 455.378, 4

Similar to: 4212915, 4213678, 4543836, 8606265, 8627079, ... 16 in total.
4212915
 
#35

American Custom Chemicals Corp.: SHG0000402
MicroSource Pharmakon: 01505779
MicroSource World Drugs: 01505779
Sigma Aldrich (Building Blocks): D6163|SIGMA
Tetrahedron Building Blocks: TS71961...21 total

ref: mol2, SDF, SMILES, flexibase
3.83,9.39,-14,1,5,0, 455.378, 4

Similar to: 4213678, 4543836, 8606265, 8627079, 13704588, ... 19 in total.
33999514
 
#36

MicroSource Pharmakon: 01505779
MicroSource World Drugs: 01505779
MicroSource Spectrum: 01505779
PubChem: 9868609, 51668728
SMDC Pharmakon: 756982...6 total

ref: mol2, SDF, SMILES, flexibase
3.83,9.4,-13.54,1,5,0, 455.378, 4
18203737
 
#37

ChemMol: 30102498, 44016407
eMolecules: 851378, 529123, 857786
Molport: MolPort-000-893-685
Scientific Exchange (make on demand): POD_67/0107, R-064199
Acros Organics: 12746...229 total

ref: mol2, SDF, SMILES, flexibase
1.33,4.95,-14.59,1,3,0, 174.203, 1
ref: mol2, SDF, SMILES, flexibase
1.78,5.2,-11.06,0,3,0, 174.203, 1
mid: mol2, SDF, SMILES, flexibase
1.79,3.03,-7.71,1,3,0, 174.203, 1

Similar to: 26516460, 34939306, 34939334, 38458032, 39384909, ... 7 in total.
3872446
 
#38

ChemMol: 44027299, 30101515, 97900276
eMolecules: 509332, 27677979
Molport: MolPort-000-861-050
TCM Database @ Taiwan: 27213, tcm03_002699
UEFS Natural Products: uefs-263...143 total

ref: mol2, SDF, SMILES, flexibase
0.94,-1.09,-13.29,4,8,0, 302.194, 0
hi: mol2, SDF, SMILES, flexibase
0.49,-0.46,-37.99,3,8,-1, 301.186, 0
hi: mol2, SDF, SMILES, flexibase
0.94,-0.07,-45.06,3,8,-1, 301.186, 0

Similar to: 38778463,
608359
 
#39

Chembo Pharma: KB-213476
KeyOrganics Bioactives: KS-1407
Labotest: LT00244864
Labotest Building Blocks: LT00244864
MicroSource Pharmakon: 01501000...66 total

ref: mol2, SDF, SMILES, flexibase
5.02,11.11,-11.96,0,5,0, 395.499, 10
lo: mol2, SDF, SMILES, flexibase
5.02,11.29,-41.15,1,5,1, 396.507, 10

Similar to: 5845369, 39270869, 597747, 608327, ... 4 in total.
19632822
 
#40

eMolecules: 538440
Scientific Exchange (make on demand): Q-023592
AK Scientific: H958
AKOS: AKOS001654525
Bosche Scientific: F5897...57 total

ref: mol2, SDF, SMILES, flexibase
3.20,7.74,-15.82,0,6,0, 388.851, 5

Similar to: 608379, 8491306,
12362955
 
#41

ChemMol: 30116764, 44011695, 83603119, 97602749
eMolecules: 26753492, 1971714, 26917926
Molport: MolPort-002-945-319, MolPort-000-004-313, MolPort-002-319-290
Acros Organics: 42633
AKOS: AKOS001031795...97 total

ref: mol2, SDF, SMILES, flexibase
1.14,2.39,-5.27,1,2,0, 166.22, 0

Similar to: 12409058, 34589404, 39246242, 39246245, 39246247, ... 6 in total.
2645
 
#42

ChemMol: 30104323, 30105100, 97900775
Molport: MolPort-005-935-126, MolPort-005-935-612
Active BioPharma: 1615
AKOS: AKOS015961793
Anward: ANW-42333...78 total

ref: mol2, SDF, SMILES, flexibase
2.31,7.44,-6.92,4,5,0, 256.096, 1
1585
 
#43

Apexmol Building Blocks: AM100809
Chembo Pharma: KB-52933
Chemstep: 19960
Fluorochem: 088600
MicroSource Pharmakon: 01504617...36 total

ref: mol2, SDF, SMILES, flexibase
1.07,4.68,-5.6,1,3,0, 137.186, 2
56654
 
#44

ChemMol: 2101382
eMolecules: 524621
Scientific Exchange (make on demand): F-441733
TCM Database @ Taiwan: tcm03_004700
AKOS: AKOS002281934...66 total

ref: mol2, SDF, SMILES, flexibase
2.29,6.27,-12.84,0,5,0, 260.245, 2

Similar to: 32264091, 34350948, 34569208, 34600531, 34634731, ... 34 in total.
1238583
 
#45

AK Scientific: K364
Anward: ANW-37082
BioBlocks BB: ZERO/002873
Chembo Pharma: KB-183499
ChemDiv BuildingBlocks: BB54-0603...48 total

ref: mol2, SDF, SMILES, flexibase
1.15,1.44,-3.1,1,1,0, 98.145, 1

Similar to: 1238584,
1238584
 
#46

AK Scientific: K364
Anward: ANW-37082
BioBlocks BB: ZERO/002873
Chembo Pharma: KB-183499
ChemDiv BuildingBlocks: BB54-0603...46 total

ref: mol2, SDF, SMILES, flexibase
1.15,1.4,-3.15,1,1,0, 98.145, 1

Similar to: 1238583,
4284473
 
#47

ChemMol: 98001216, 1202513
eMolecules: 517956
Molport: MolPort-003-921-370
AK Scientific: X2830
AKOS: AKOS015995365...54 total

ref: mol2, SDF, SMILES, flexibase
1.91,6.38,-7.6,0,2,0, 150.177, 2

Similar to: 34334111, 34577226,
2005163
 
#48

eMolecules: 206919582
Molport: MolPort-019-877-944, MolPort-002-709-801
AK Scientific: Q675, W0072
American Custom Chemicals Corp.: CHM0014480
BioBlocks: A2506/0106549...81 total

ref: mol2, SDF, SMILES, flexibase
5.36,11.37,-5.54,0,3,0, 310.478, 11

Similar to: 3977734, 4087599, 4474620, 9211293, 31881492, ... 8 in total.
12402849
 
#49

MicroSource Pharmakon: 01601000
MicroSource World Drugs: 01601000
Collaborative Drug Discovery: 15361
MicroSource Spectrum: 01601000
PubChem: 59965049...13 total

ref: mol2, SDF, SMILES, flexibase
4.11,10.9,-13.8,1,5,0, 390.52, 7

Similar to: 43772721, 43772723, 43772724, 43772726, 43772732, ... 9 in total.
3833876
 
#50

Molport: MolPort-003-849-214
AK Scientific: I518
AKOS: AKOS015994712
Bosche Scientific: M5159
Cayman Chemical: 10010340...94 total

ref: mol2, SDF, SMILES, flexibase
4.11,10.68,-12.93,1,5,0, 390.52, 7

Similar to: 26492230, 34345257, 34345258, 34345259, 34345260, ... 11 in total.
12402850
 
#51

MicroSource Pharmakon: 01601000
MicroSource World Drugs: 01601000
Collaborative Drug Discovery: 15361
MicroSource Spectrum: 01601000
PubChem: 42579262...10 total

ref: mol2, SDF, SMILES, flexibase
4.11,10.79,-11.72,1,5,0, 390.52, 7

Similar to: 43772721, 43772723, 43772724, 43772726, 43772732, ... 9 in total.
3984042
 
#52

MicroSource Pharmakon: 01601000
MicroSource World Drugs: 01601000
Molcan: mevastatin, mevastatin
BindingDB.org: 50003238
ChEMBL12: CHEMBL300596...26 total

ref: mol2, SDF, SMILES, flexibase
4.11,10.52,-8.63,1,5,0, 390.52, 7

Similar to: 3831450, 3831011, 3831010, 3831009, 3831008, ... 9 in total.
2015997
 
#53

ChemMol: 30111588, 44000903
Molport: MolPort-005-932-573
AKOS: AKOS015843415
APIChem: AC-4727
BOC Sciences BB: 119637-67-1...41 total

ref: mol2, SDF, SMILES, flexibase
1.52,1.22,-18.1,0,6,0, 339.413, 8

Similar to: 3986,
3986
 
#54

ChemMol: 44000903, 30111588
Molport: MolPort-005-932-573
AKOS: AKOS015843415
APIChem: AC-4727
BOC Sciences BB: 119637-67-1...43 total

ref: mol2, SDF, SMILES, flexibase
1.52,1.26,-18.01,0,6,0, 339.413, 8

Similar to: 2015997,
19632700
 
#55

ChemMol: 97901136, 44002758, 2000419, 30102624
eMolecules: 592502, 902166
Molport: MolPort-003-958-925, MolPort-003-849-303
Active BioPharma: 2391
AK Scientific: O220...104 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.65,-9.6,1,5,0, 392.499, 7

Similar to: 23386909, 23386911, 23386913, 23386915, ... 9 in total.
19632696
 
#56

ChemMol: 97901136, 44002758, 2000419, 30102624
eMolecules: 592502, 902166
Molport: MolPort-003-958-925, MolPort-003-849-303
Active BioPharma: 2391
AK Scientific: O220...103 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.66,-9.68,1,5,0, 392.499, 7

Similar to: 23386909, 23386911, 23386913, 23386915, ... 9 in total.
3788
 
#57

ChemMol: 97900527, 44004259, 30104801
Active BioPharma: 1163
AK Scientific: I625
APIChem: AC-15655
BePharm Building Blocks: B140804...52 total

ref: mol2, SDF, SMILES, flexibase
1.10,6.39,-14.97,1,4,0, 246.31, 3

Similar to: 7914814, 8302656, 23649188,
1797
 
#58

AKOS: AKOS003613210
Aldrich CPR: S398934|ALDRICH
Mcule: MCULE-9299418719
MicroSource Pharmakon: 01506194
MicroSource World Drugs: 01506194...22 total

ref: mol2, SDF, SMILES, flexibase
-0.49,2.08,-8.39,0,4,0, 192.218, 1
1697652
 
#59

TCM Database @ Taiwan: 43198, tcm03_006349
Aldrich CPR: S567868|ALDRICH
BioSynth: V-3000
MedChem Express: HY-17568
MicroSource Pharmakon: 01506172...62 total

ref: mol2, SDF, SMILES, flexibase
4.12,-1.49,-9.46,2,4,0, 293.407, 10

Similar to: 26475073, 43273992, 43284710, 43284755, 43284768, ... 5 in total.
1852
 
#60

Alfa-Aesar: H35120
Ark Pharm Building Blocks: AK154201
Element Store BB: b2star-64224-21-1
Key Organics Building Blocks: AS-7036
KeyOrganics: AS-7036...40 total

ref: mol2, SDF, SMILES, flexibase
2.06,-0.58,-8.08,0,2,0, 226.351, 1
8035017
 
#61

eMolecules: 593132
Cayman Chemical: 90350, 10007824, 9000551
MicroSource Pharmakon: 01506156
MicroSource World Drugs: 01506156
Sigma Aldrich (Building Blocks): P0359|SIGMA...44 total

ref: mol2, SDF, SMILES, flexibase
6.29,-2.08,-8.49,2,3,0, 299.499, 16

Similar to: 11638641, 36294576, 37468739, 43587537, 59464394, ... 9 in total.
1890
 
#62

ChemMol: 30100910, 44009080
eMolecules: 539253
Scientific Exchange (make on demand): E-026808
AKOS: AKOS000120374
Alfa-Aesar: A15314...83 total

ref: mol2, SDF, SMILES, flexibase
1.86,2.94,-8.03,1,2,0, 150.177, 2
158585
 
#63

ChemMol: 1033172, 1203162, 96707595
eMolecules: 521062
Acros Organics: 13199
AKOS: AKOS000249319
Alfa-Aesar: A15005...141 total

ref: mol2, SDF, SMILES, flexibase
0.11,0.18,-5.47,1,2,0, 109.128, 1
lo: mol2, SDF, SMILES, flexibase
0.11,0.59,-30.28,2,2,1, 110.136, 1

Similar to: 33804374,
3830641
 
#64

Scientific Exchange (make on demand): POD_01/0675
Aldrich CPR: R181617|ALDRICH, S964778|ALDRICH, R181587|ALDRICH
Alinda Building Blocks: ALBB-023670
ChemDiv BuildingBlocks: BB57-4920
Element Store BB: b2star-53-43-0...60 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.14,-6.11,1,2,0, 288.431, 0

Similar to: 3882018, 3882019, 3882020, 3882021, 3977900, ... 45 in total.
3830643
 
#65

Scientific Exchange (make on demand): POD_01/0675
Aldrich CPR: R181617|ALDRICH, S964778|ALDRICH, R181587|ALDRICH
Alinda Building Blocks: ALBB-023670
ChemDiv BuildingBlocks: BB57-4920
Element Store BB: b2star-53-43-0...57 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.25,-6.07,1,2,0, 288.431, 0

Similar to: 3882018, 3882019, 3882020, 3882021, 5273694, ... 22 in total.
4082210
 
#66

Molport: MolPort-002-527-265
IBScreen NP: STOCK1N-54329
MicroSource Pharmakon: 01505083
MicroSource World Drugs: 01505083
Bovine Metabolome: BMDB00077...43 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.09,-6.2,1,2,0, 288.431, 0

Similar to: 25541755, 25541760, 34649136, 34875158, ... 13 in total.
3807917
 
#67

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.
4113800
 
#68

Molport: MolPort-000-838-146
Aronis: a01264
ChemBridge: 7124914
Fluorochem: 046770
Fragmenta: AND066...27 total

ref: mol2, SDF, SMILES, flexibase
3.95,10.85,-11.83,0,3,0, 330.468, 2

Similar to: 39309601, 39309602, 39309603, 39309604, ... 13 in total.
4113801
 
#69

Molport: MolPort-000-838-146
Aronis: a01264
ChemBridge: 7124914
Fluorochem: 046770
Fragmenta: AND066...26 total

ref: mol2, SDF, SMILES, flexibase
3.95,11.24,-9.08,0,3,0, 330.468, 2

Similar to: 39309601, 39309602, 39309603, 39309604, ... 13 in total.
4113802
 
#70

Aronis: a01264
ChemBridge: 7124914
Fluorochem: 046770
Fragmenta: AND066
Labotest: LT01138613...29 total

ref: mol2, SDF, SMILES, flexibase
3.95,11.33,-9.93,0,3,0, 330.468, 2

Similar to: 39309601, 39309602, 39309603, 39309604, ... 13 in total.
3881408
 
#71

ChemMol: 30102513, 44029713
Molport: MolPort-002-506-956
AK Scientific: Z3653
American Custom Chemicals Corp.: CHM0029112
Aronis: a01264...60 total

ref: mol2, SDF, SMILES, flexibase
3.95,11.14,-9.39,0,3,0, 330.468, 2

Similar to: 103267, 490748, 490749, 538222, 1057676, ... 9 in total.
3861492
 
#72

eMolecules: 618467
Molport: MolPort-001-783-607
Scientific Exchange (make on demand): F-446359
Aldrich CPR: R279072|ALDRICH
Aronis BuildingBlocks: BBC/578...44 total

ref: mol2, SDF, SMILES, flexibase
0.78,2.85,-9.42,1,3,0, 167.208, 2
hi: mol2, SDF, SMILES, flexibase
0.64,0.99,-33.61,0,3,-1, 166.2, 2

Similar to: 4529752, 4529753,
1546844
 
#73

ChemMol: 30107525, 2100098, 44003982
Molport: MolPort-005-935-306
AKOS: AKOS015894948
Anward: ANW-44918
APIChem: AC-1133...70 total

ref: mol2, SDF, SMILES, flexibase
3.83,10.68,-11.25,1,5,0, 385.485, 11

Similar to: 34426523, 34426524, 34480469, 34625355, 34625357, ... 6 in total.
1546843
 
#74

ChemMol: 2100098, 44003982, 30107525
Molport: MolPort-005-935-306
AKOS: AKOS015894948
Anward: ANW-44918
APIChem: AC-1133...64 total

ref: mol2, SDF, SMILES, flexibase
3.83,10.91,-9.5,1,5,0, 385.485, 11

Similar to: 1546844, 34426523, 34426524, 34480469, 34625355, ... 6 in total.
57367
 
#75

ChemMol: 30108065, 44004256, 30104795, 44006235
Molport: MolPort-006-115-506
AK Scientific: M592, I619
APIChem: AC-20496, AC-15649
Ark Pharm Building Blocks: AK115818...63 total

ref: mol2, SDF, SMILES, flexibase
2.52,6.39,-14.54,1,4,0, 245.326, 3
mid: mol2, SDF, SMILES, flexibase
2.52,6.25,-38.15,2,4,1, 246.334, 3

Similar to: 4212269, 32264660, 33808014,
66322931
 
#76

MicroSource Pharmakon: 01506106
MicroSource World Drugs: 01506106
Individual Suppliers: UNNAMED00000712, UNNAMED00000708
MicroSource Spectrum: 01506106
PubChem: 51371316...7 total

ref: mol2, SDF, SMILES, flexibase
3.40,8.2,-10.96,0,3,0, 298.411, 4
38146589
 
#77

eMolecules: 26481093
Molport: MolPort-002-351-241
AKOS: AKOS001708565
BioBlocks: A1688/0072113
ChemDiv: 8008-2113...38 total

ref: mol2, SDF, SMILES, flexibase
4.41,9.77,-6.93,0,1,0, 286.421, 2

Similar to: 4481936, 2133,
1693386
 
#78

American Custom Chemicals Corp.: RDL0007509
BOC Sciences BB: 111-48-8
Labotest: LTBB001425
Labotest Building Blocks: LTBB001425
Mcule: MCULE-5502656030...77 total

ref: mol2, SDF, SMILES, flexibase
-0.43,-2.43,-4.43,2,2,0, 122.189, 4
1694184
 
#79

ChemMol: 44016839
eMolecules: 821306
Molport: MolPort-000-931-521
Scientific Exchange Building Blocks: Z-007736
AKOS: AKOS000152188...72 total

ref: mol2, SDF, SMILES, flexibase
1.69,4.95,-5.94,1,2,0, 197.665, 4

Similar to: 3645831, 5872323, 6330807, 34477106, 41688334, ... 10 in total.
1003
 
#80

ChemMol: 30101848, 44024430
Molport: MolPort-006-116-584
AK Scientific: H819
Aldrich CPR: PH003407|ALDRICH
APIChem: AC-12036...47 total

ref: mol2, SDF, SMILES, flexibase
2.61,9.11,-18.99,1,6,0, 313.309, 6

Similar to: 44673327,
1091
 
#81

ChemMol: 44000369, 30100267
AK Scientific: H765
AKOS: AKOS001647527
Aldrich CPR: CDS000349|ALDRICH
Alfa-Aesar: L08218...70 total

ref: mol2, SDF, SMILES, flexibase
0.27,6.16,-22.06,0,4,0, 186.236, 2
119403
 
#82

ChemMol: 96700462, 1035712, 30107514, 44005978
eMolecules: 480496
Molport: MolPort-001-770-140
APIChem: AC-19828
Ark Pharm Building Blocks: AK164484...67 total

ref: mol2, SDF, SMILES, flexibase
3.27,3.68,-6.05,1,2,0, 228.078, 0
mid: mol2, SDF, SMILES, flexibase
3.27,4.44,-43.11,0,2,-1, 227.07, 0
164
 
#83

ChemMol: 30101507, 44001995
Molport: MolPort-003-930-899
AKOS: AKOS015895513
APIChem: AC-272
Ark Pharm Building Blocks: AK161858...60 total

ref: mol2, SDF, SMILES, flexibase
3.20,9.99,-10.91,0,4,0, 292.766, 5
mid: mol2, SDF, SMILES, flexibase
3.20,9.94,-42.63,1,4,1, 293.774, 5

Similar to: 13209328,
13209328
 
#84

ChemMol: 30101507, 44001995
Molport: MolPort-003-930-899
AKOS: AKOS015895513
APIChem: AC-272
Ark Pharm Building Blocks: AK161858...63 total

ref: mol2, SDF, SMILES, flexibase
3.20,9.98,-10.83,0,4,0, 292.766, 5
mid: mol2, SDF, SMILES, flexibase
3.20,9.93,-42.76,1,4,1, 293.774, 5

Similar to: 39282090, 39282091, 39373107, 39373108, 39374222, ... 11 in total.
22200090
 
#85

Chembo Pharma: KB-76141, KB-79506
MicroSource Pharmakon: 01506065
MicroSource World Drugs: 01506065
Molport BB: MolPort-003-958-719
Prestwick Chemical: Prestw-344...47 total

ref: mol2, SDF, SMILES, flexibase
3.74,6.76,-5.74,0,2,0, 272.175, 6

Similar to: 31977070, 31977071, 1532322, 6437406, 6437408, ... 5 in total.
3984048
 
#86

TCM Database @ Taiwan: tcm03_001650
MicroSource Pharmakon: 01701028
MicroSource World Drugs: 01701028
Specs Natural Products: AA-504/07224047
Alfa-Aesar (Depleted): J64182...26 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.8,-14.45,2,5,0, 360.45, 2

Similar to: 3984049, 3984050, 3984051, 4083557, 4535851, ... 25 in total.
3984049
 
#87

MicroSource Pharmakon: 01701028
MicroSource World Drugs: 01701028
Specs Natural Products: AA-504/07224047
Alfa-Aesar (Depleted): J64182
Collaborative Drug Discovery: 14262...24 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.32,-16.13,2,5,0, 360.45, 2

Similar to: 3984050, 3984051, 4083557, 4535851, 4915785, ... 25 in total.
3984050
 
#88

MicroSource Pharmakon: 01701028
MicroSource World Drugs: 01701028
Specs Natural Products: AA-504/07224047
Alfa-Aesar (Depleted): J64182
Collaborative Drug Discovery: 14262...24 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.74,-19.42,2,5,0, 360.45, 2

Similar to: 3984051, 4083557, 4535851, 4915785, 8602997, ... 25 in total.
3984051
 
#89

MicroSource Pharmakon: 01701028
MicroSource World Drugs: 01701028
Specs Natural Products: AA-504/07224047
Alfa-Aesar (Depleted): J64182
Collaborative Drug Discovery: 14262...27 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.71,-15.34,2,5,0, 360.45, 2

Similar to: 4083557, 4535851, 4915785, 33830324, 33830325, ... 18 in total.
608284
 
#90

ChemMol: 51502599, 30102390
AK Scientific: S256
APIChem: AC-12672
Element Store BB: b2star-56-72-4
MicroSource Pharmakon: 00330012...50 total

ref: mol2, SDF, SMILES, flexibase
4.84,12.26,-23.24,0,5,0, 362.771, 6

Similar to: 5765091, 8253295,
1239
 
#91

Amidohydrolase AH-EFI: Cyromazin
ChemMol: 30101008, 44009498
APIChem: AC-6858
BioSynth: Q-200915
Boerchem Pharmatech BB: BC674979...64 total

ref: mol2, SDF, SMILES, flexibase
-0.13,5.01,-6.77,5,6,0, 166.188, 2
lo: mol2, SDF, SMILES, flexibase
-0.13,5.4,-26.63,6,6,1, 167.196, 2
6226
 
#92

eMolecules: 502935
Molport: MolPort-001-792-505
Acros Organics: 27874
AK Scientific: 3231AB
Anward: ANW-26935...82 total

ref: mol2, SDF, SMILES, flexibase
-0.60,2.44,-15.62,1,3,0, 139.154, 0
1270
 
#93

eMolecules: 1020211
Molport: MolPort-001-798-443
Scientific Exchange (make on demand): Z-077116
AK Scientific: V4771
AKOS: AKOS002255264...46 total

ref: mol2, SDF, SMILES, flexibase
0.71,4.63,-13.21,1,4,0, 193.202, 3

Similar to: 32191102,
56435
 
#94

ChemMol: 30100307
Alfa-Aesar: A12640
Amadis Chemical: A845699
APIChem: AC-10330
BioSynth: W-110256...110 total

ref: mol2, SDF, SMILES, flexibase
5.09,4.54,-5.02,2,2,0, 269.127, 2

Similar to: 5933713, 15771981, 32256263, 34426885, 36468840, ... 7 in total.
1309
 
#95

ChemMol: 44008136
Glutathione Transferrase GST-EFI: Diazinon
TCM Database @ Taiwan: 30928
BioSynth: Q-200953
Boerchem Pharmatech BB: BC225665...126 total

ref: mol2, SDF, SMILES, flexibase
3.58,8.93,-11.39,0,5,0, 304.352, 7

Similar to: 8253293, 32191951, 43064950,
3977803
 
#96

TCM Database @ Taiwan: 28958
MicroSource Pharmakon: 01503219
MicroSource World Drugs: 01503219
Individual Suppliers: C03977803, UNNAMED00000758
MicroSource Spectrum: 01503219...7 total

ref: mol2, SDF, SMILES, flexibase
-0.20,-8.19,-21.42,8,15,0, 608.549, 7
hi: mol2, SDF, SMILES, flexibase
-0.20,-7.38,-72.85,7,15,-1, 607.541, 7
19594545
 
#97

ChemMol: 30109435, 30102790, 30102623
AK Scientific: 6957AC, H962
Amadis Chemical: A845991
American Custom Chemicals Corp.: API0003161
Anward: ANW-44681...109 total

ref: mol2, SDF, SMILES, flexibase
0.65,-0.4,-7.24,2,4,0, 236.315, 4

Similar to: 32089894, 32106714, 32106717,
19594547
 
#98

ChemMol: 30102790
Molport: MolPort-020-003-087
AK Scientific: H962
Amadis Chemical: A845990
American Custom Chemicals Corp.: CCH0000694...82 total

ref: mol2, SDF, SMILES, flexibase
0.65,-0.38,-7.4,2,4,0, 236.315, 4

Similar to: 32089894, 32106714, 32106717,
3872491
 
#99

ChemMol: 44004757, 30105672
eMolecules: 538012
Molport: MolPort-003-892-015
Scientific Exchange (make on demand): F-441605
AK Scientific: H065...50 total

ref: mol2, SDF, SMILES, flexibase
2.51,3.22,-5.68,3,3,0, 288.387, 0

Similar to: 3881360, 3977996, 3977997, 3977998, 4213126, ... 14 in total.
3872492
 
#100

ChemMol: 44004757, 30105672
eMolecules: 538012
Molport: MolPort-003-892-015
Scientific Exchange (make on demand): F-441605
AK Scientific: H065...55 total

ref: mol2, SDF, SMILES, flexibase
2.51,2.69,-6.83,3,3,0, 288.387, 0

Similar to: 3881360, 3977996, 3977997, 3977998, 4213126, ... 14 in total.

Old detail retrieval took 2 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 612 ) limit 0,100

Smiles were