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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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402683
 
#1

Molport: MolPort-002-501-578
Bachem: M-1055
FineTech: FT-0629813
Fluorochem: 341707
Frinton: FR-0003...22 total

ref: mol2, SDF, SMILES, flexibase
3.40,1.85,-14.47,1,4,0, 333.387, 6

Similar to: 5167470,
402684
 
#2

Molport: MolPort-002-501-578
Bachem: M-1055
FineTech: FT-0629813
Fluorochem: 341707
Frinton: FR-0003...22 total

ref: mol2, SDF, SMILES, flexibase
3.40,1.84,-14.38,1,4,0, 333.387, 6

Similar to: 5167470,
4934076
 
#3

Molport: MolPort-002-501-580
American Custom Chemicals Corp.: LIP0000045
FineTech: FT-0623737
Fluorochem: 341709
Frinton: FR-0005...16 total

ref: mol2, SDF, SMILES, flexibase
8.08,16.77,-4.2,0,3,0, 444.7, 8

Similar to: 17377844, 17377846, 17377848, 17377850, 34585434, ... 13 in total.
1599402
 
#4

ChemMol: 1037374, 80101361
eMolecules: 508846
Molport: MolPort-000-000-277
Scientific Exchange (make on demand): M-405302
AKOS: AKOS000249070...60 total

ref: mol2, SDF, SMILES, flexibase
2.38,2.81,-9.42,0,2,0, 162.188, 4

Similar to: 34218394, 34590799, 36449089, 38221119, 43465076, ... 5 in total.
134424
 
#5

ChemMol: 2200545, 80100553
eMolecules: 534166
Scientific Exchange (make on demand): POD_48/0168
Acros Organics: 10320
AK Scientific: 7621AB...64 total

ref: mol2, SDF, SMILES, flexibase
-0.60,-0.77,-10.73,5,4,0, 151.169, 1
16382868
 
#6

ChemMol: 30101656, 83600492, 96700042
eMolecules: 476925
Molport: MolPort-001-002-770
Scientific Exchange (make on demand): R-094233, X-047973
Acros Organics: 15597...94 total

ref: mol2, SDF, SMILES, flexibase
0.65,0.39,-39.66,2,3,-1, 132.193, 0
4244740
 
#7

ChemMol: 96705407
AK Scientific: 1233AB
Ark Pharm Building Blocks: AK114373
BePharm Building Blocks: B28082
Chembo Pharma: KB-56577...28 total

ref: mol2, SDF, SMILES, flexibase
2.75,2.23,-7.26,0,4,0, 194.234, 4

Similar to: 5161914, 5840361, 32204882, 35855245, 36372766, ... 8 in total.
332671
 
#8

eMolecules: 504655
Acros Organics: 30510
AKOS: AKOS002384372
Alfa-Aesar: L08991
Anward: ANW-32232...74 total

ref: mol2, SDF, SMILES, flexibase
1.53,3.76,-8.47,0,3,0, 161.16, 0

Similar to: 5934689, 31319532, 34589875, 39124903, 39298359, ... 5 in total.
1570864
 
#9

eMolecules: 975569
Frinton: FR-0039
Sigma Aldrich (Building Blocks): 672238|ALDRICH
Vitas-M: STL363065
Vitas-M BB: BBL025609...9 total

ref: mol2, SDF, SMILES, flexibase
3.04,1.42,-7.87,0,2,0, 246.137, 6

Similar to: 1728395, 5161848, 5315520,
157120
 
#10

eMolecules: 889512
Molport: MolPort-001-783-922
AK Scientific: X6812
Aldrich CPR: S354791|ALDRICH
Alfa-Aesar: L08600...79 total

ref: mol2, SDF, SMILES, flexibase
-0.47,-0.61,-17.41,4,4,0, 164.164, 2

Similar to: 34573429,
105298
 
#11

eMolecules: 608804
Molport: MolPort-001-756-854
Scientific Exchange (make on demand): POD_38/0933
Aldrich CPR: R156795|ALDRICH
Alinda Building Blocks: ALBB-005289...38 total

ref: mol2, SDF, SMILES, flexibase
1.43,0.84,-5.44,2,3,0, 215.68, 5

Similar to: 34432364, 34581384,
2037705
 
#12

Molport: MolPort-002-501-585
American Custom Chemicals Corp.: CHM0010891
Anward: ANW-30434
FineTech: FT-0616301
Fluorochem: 341713...36 total

ref: mol2, SDF, SMILES, flexibase
0.67,4.06,-5.98,0,1,0, 81.118, 1
1081255
 
#13

eMolecules: 487041
Acros Organics: 10791
AK Scientific: 6907AC
Alfa-Aesar: A15612
Angene Building Blocks: AGN-PC-0CAMQC...66 total

ref: mol2, SDF, SMILES, flexibase
2.50,2.13,-4.12,0,1,0, 154.253, 1

Similar to: 1707451, 1707470, 1726904, 5762178, 5768065, ... 37 in total.
155869
 
#14

ChemMol: 30112713
Molport: MolPort-002-497-989
Acros Organics: 10831
AK Scientific: 7691AD
Alfa-Aesar: A14822...39 total

ref: mol2, SDF, SMILES, flexibase
1.75,6.3,-13.39,0,5,0, 219.196, 2

Similar to: 2149628, 6665515, 34461434,
1689539
 
#15

eMolecules: 522224
Molport: MolPort-002-501-591
AKOS: AKOS000369773
Ark Pharm Building Blocks: AK-77109
Bide Pharmatech BB: BD125333...32 total

ref: mol2, SDF, SMILES, flexibase
0.52,5.1,-8.56,0,4,0, 192.236, 7

Similar to: 37116647, 41985016,
154692
 
#16

eMolecules: 498752
Molport: MolPort-001-780-058, MolPort-006-115-924
Scientific Exchange (make on demand): POD_35/0784
Acros Organics: 11258
AKOS: AKOS001027092...44 total

ref: mol2, SDF, SMILES, flexibase
3.13,2.4,-7.66,0,2,0, 236.27, 4

Similar to: 15768489, 34545472, 36376484, 38227783, 39017383, ... 5 in total.
57134
 
#17

ChemMol: 30100725, 1035923, 44000302, 1202069, 98000687
eMolecules: 536274
Alfa-Aesar: L06623
Apexmol Building Blocks: AM20060257
APIChem: AC-2543...52 total

ref: mol2, SDF, SMILES, flexibase
3.40,3.66,-5.15,0,3,0, 225.553, 2
2390980
 
#18

Molport: MolPort-002-501-592
Aldrich CPR: T161047|ALDRICH
FineTech: FT-0607303
Fluorochem: 341717
Frinton: FR-0072...21 total

ref: mol2, SDF, SMILES, flexibase
0.97,4.79,-11.99,0,2,0, 135.166, 2

Similar to: 1545040,
2003721
 
#19

Molport: MolPort-002-501-593
AKOS: AKOS008934567
Alfa-Aesar: H62858
Anward: ANW-42597
Apexmol Building Blocks: AM81790...36 total

ref: mol2, SDF, SMILES, flexibase
1.40,4,-7.34,1,5,0, 223.228, 6

Similar to: 5194123, 34337252, 34459294, 34543825, 39351161, ... 5 in total.
1697860
 
#20

ChemMol: 1034153
eMolecules: 883995
Molport: MolPort-001-762-060
Acros Organics: 44882
AK Scientific: Q294...49 total

ref: mol2, SDF, SMILES, flexibase
3.14,2.47,-6.29,0,1,0, 176.259, 3

Similar to: 34589785, 34589787,
1698830
 
#21

AK Scientific: R251
AKOS: AKOS015850650
Anward: ANW-63124
Ark Pharm Building Blocks: AK-89707
BePharm Building Blocks: B13227...27 total

ref: mol2, SDF, SMILES, flexibase
2.81,1.77,-7.56,0,2,0, 211.692, 5

Similar to: 1728395, 5161848, 5315520,
336927
 
#22

eMolecules: 489592, 8604402
Molport: MolPort-002-936-556, MolPort-002-473-558
Scientific Exchange (make on demand): POD_07/0154
AKOS: AKOS005385236, AKOS002304094
Alfa-Aesar: A18057...109 total

ref: mol2, SDF, SMILES, flexibase
1.13,2.77,-8.92,1,2,0, 135.166, 1
mid: mol2, SDF, SMILES, flexibase
1.20,-1.13,-6.71,1,2,0, 135.166, 1
mid: mol2, SDF, SMILES, flexibase
1.20,-0.14,-6.26,1,2,0, 135.166, 1

Similar to: 39240799, 39293422, 41695851,
164501
 
#23

ChemMol: 1200294, 44008984, 98000557
eMolecules: 536256
Molport: MolPort-000-871-235
Scientific Exchange (make on demand): M-142978
Acros Organics: 10960...78 total

ref: mol2, SDF, SMILES, flexibase
2.29,1.95,-14.95,0,4,0, 185.566, 2

Similar to: 4290767, 39261905,
160350
 
#24

ChemMol: 30101803, 1037611
eMolecules: 526333
Scientific Exchange (make on demand): POD_36/0439
Acros Organics: 43838
AK Scientific: X3383...64 total

ref: mol2, SDF, SMILES, flexibase
4.30,8.06,-6.5,0,2,0, 229.666, 1

Similar to: 34376590, 34376634, 34376636, 34376644, 34615670, ... 5 in total.
1627232
 
#25

eMolecules: 889602
AK Scientific: 3294AB
AKOS: AKOS000171325
Alfa-Aesar: L08980
Alinda: IVK/1011312...42 total

ref: mol2, SDF, SMILES, flexibase
1.00,0.61,-11.39,4,4,0, 166.18, 1
157937
 
#26

eMolecules: 711346
Molport: MolPort-002-497-947
Scientific Exchange (make on demand): F-393933
Acros Organics: 16165, 11113
AK Scientific: Z4171...127 total

ref: mol2, SDF, SMILES, flexibase
0.44,-1.31,-4.92,2,2,0, 116.16, 0
3860303
 
#27

eMolecules: 535712
Acorn PharmaTech: ACN-S002237
Acros Organics: 11125
AK Scientific: H585
AKOS: AKOS004115243...37 total

ref: mol2, SDF, SMILES, flexibase
1.88,5.88,-5.91,0,1,0, 121.183, 1

Similar to: 5158129, 5158280, 5354125, 5354667, 33955157, ... 6 in total.
1604700
 
#28

eMolecules: 614833
Molport: MolPort-001-816-845
AK Scientific: 4645AD
Aldrich CPR: R238201|ALDRICH
Alfa-Aesar: L09798...35 total

ref: mol2, SDF, SMILES, flexibase
3.37,1.32,-4.55,0,1,0, 178.275, 1

Similar to: 2170344, 5819662, 25501111, 25501115, 25501125, ... 25 in total.
2170344
 
#29

eMolecules: 614833
Molport: MolPort-001-816-845
AK Scientific: 4645AD
Aldrich CPR: R238201|ALDRICH
Alfa-Aesar: L09798...36 total

ref: mol2, SDF, SMILES, flexibase
3.37,1.34,-4.64,0,1,0, 178.275, 1

Similar to: 5819662, 25501111, 25501115, 25501125, 25501129, ... 26 in total.
2584531
 
#30

Molport: MolPort-002-344-525
AK Scientific: 7507AA
AKOS: AKOS015855401
Ark Pharm Building Blocks: AK115559
BePharm Building Blocks: B138909...25 total

ref: mol2, SDF, SMILES, flexibase
2.06,2.81,-13.74,0,3,0, 206.241, 6

Similar to: 34619639, 36445484, 38272450, 39245722, 39249324, ... 36 in total.
5166408
 
#31

Molport: MolPort-002-501-595
American Custom Chemicals Corp.: CHM0008257
Ark Pharm Building Blocks: AK-63592
Fluorochem: 341722
Frinton: FR-0110...13 total

ref: mol2, SDF, SMILES, flexibase
1.71,7,-9.09,0,4,0, 212.245, 4

Similar to: 5166679, 34226786, 34226787, 34434574, 34455818, ... 12 in total.
5166679
 
#32

Molport: MolPort-002-501-595
American Custom Chemicals Corp.: CHM0008257
Ark Pharm Building Blocks: AK-63592
Fluorochem: 341722
Frinton: FR-0110...13 total

ref: mol2, SDF, SMILES, flexibase
1.71,7.03,-8.93,0,4,0, 212.245, 4

Similar to: 34226786, 34226787, 34434574, 34455818, 34455819, ... 12 in total.
1697731
 
#33

ChemMol: 30106502
eMolecules: 884007
Molport: MolPort-002-501-596
Alfa-Aesar: A10725
Angene Building Blocks: AGN-PC-0JM3AD...49 total

ref: mol2, SDF, SMILES, flexibase
4.21,2.53,-6.09,0,1,0, 190.286, 5

Similar to: 34424782, 1556060, 1556064,
2167068
 
#34

ChemMol: 30115907, 1202726, 96700397
AK Scientific: W9802
AKOS: AKOS002669419
Alfa-Aesar: L01362
Amadis Chemical: A845552...62 total

ref: mol2, SDF, SMILES, flexibase
6.39,3.71,-1.84,2,1,0, 261.453, 3

Similar to: 2474395, 2583701, 5159678, 5316971, 5316972, ... 20 in total.
6568023
 
#35

eMolecules: 886944
AKOS: AKOS002311362
Alfa-Aesar: B25081
Anward: ANW-37221
Chembo Pharma: KB-104255...43 total

ref: mol2, SDF, SMILES, flexibase
1.92,5.26,-10.62,2,4,0, 240.262, 3

Similar to: 6578644, 38810141, 5871053, 5928576, 143095, ... 5 in total.
1571238
 
#36

Acros Organics: 13086
Alfa-Aesar: B22436
Frinton: FR-0124
Labotest: LTBB005270
Labotest Building Blocks: LTBB005270...18 total

ref: mol2, SDF, SMILES, flexibase
3.17,5.7,-4.58,0,1,0, 140.226, 2

Similar to: 5758748, 5758774, 5759039, 5759043, 5761224, ... 29 in total.
2041189
 
#37

Molport: MolPort-001-780-291
Acros Organics: 13086
AK Scientific: X5951
Alfa-Aesar: B22436
Angene Building Blocks: AGN-PC-0W357Y...66 total

ref: mol2, SDF, SMILES, flexibase
2.73,2.05,-5.75,0,1,0, 134.178, 2

Similar to: 5051845, 34534293,
1543799
 
#38

eMolecules: 505937
Molport: MolPort-001-020-709
Scientific Exchange (make on demand): Z-054480
AK Scientific: H598
AKOS: AKOS000447157...81 total

ref: mol2, SDF, SMILES, flexibase
7.48,10.3,-5.13,2,2,0, 340.507, 4

Similar to: 1691387, 5379925, 5822838, 5822839, 36447110, ... 8 in total.
2517024
 
#39

Molport: MolPort-002-501-601
AKOS: AKOS015855297
FineTech: FT-0606866
Fluorochem: 341729
Frinton: FR-0133...16 total

ref: mol2, SDF, SMILES, flexibase
-2.86,-4.46,-13.45,4,10,0, 238.152, 2

Similar to: 16939473, 34622768, 34622770, 34622772, 34622774, ... 5 in total.
2003954
 
#40

eMolecules: 537692
Molport: MolPort-000-929-203
AKOS: AKOS004115455
Alfa-Aesar: B24456
Chembo Pharma: KB-76537...36 total

ref: mol2, SDF, SMILES, flexibase
0.94,6.67,-15.84,0,5,0, 230.26, 9

Similar to: 32136896, 32136897, 34432104, 34432105, 34436708, ... 9 in total.
1675335
 
#41

eMolecules: 537692
Molport: MolPort-000-929-203
AKOS: AKOS004115455
Alfa-Aesar: B24456
Chembo Pharma: KB-76537...37 total

ref: mol2, SDF, SMILES, flexibase
0.94,6.77,-13.57,0,5,0, 230.26, 9

Similar to: 32136896, 32136897, 34432104, 34432105, 34436708, ... 9 in total.
410123
 
#42

eMolecules: 888777
Molport: MolPort-001-815-915
Scientific Exchange (make on demand): F-249409
AKOS: AKOS003398782
Aldrich CPR: S533564|ALDRICH...38 total

ref: mol2, SDF, SMILES, flexibase
0.75,-1.3,-10.45,2,4,0, 128.131, 0

Similar to: 36756475, 36756476, 36756485, 36756486, 36756500, ... 7 in total.
410122
 
#43

eMolecules: 888777
Molport: MolPort-001-815-915
Scientific Exchange (make on demand): F-249409
AKOS: AKOS003398782
Aldrich CPR: S533564|ALDRICH...36 total

ref: mol2, SDF, SMILES, flexibase
0.75,-1.28,-9.37,2,4,0, 128.131, 0

Similar to: 36756475, 36756476, 36756485, 36756486, 36756500, ... 7 in total.
895228
 
#44

Amidohydrolase AH-EFI: Dihydrouracil
ChemMol: 96700073
eMolecules: 537627
Molport: MolPort-001-785-692
Scientific Exchange (make on demand): POD_29/0629...77 total

ref: mol2, SDF, SMILES, flexibase
-0.80,-2.01,-10.67,2,4,0, 114.104, 0

Similar to: 5187769,
388563
 
#45

eMolecules: 489832
Alfa-Aesar: L08857
Anward: ANW-26106
Ark Pharm Building Blocks: AK163259
FineTech: FT-0629492...28 total

ref: mol2, SDF, SMILES, flexibase
1.07,4.08,-5.58,0,2,0, 129.203, 2
1605798
 
#46

eMolecules: 478371
Molport: MolPort-001-793-323
AK Scientific: V2075
Angene Building Blocks: AGN-PC-0JKCSB
Anward: ANW-24082...56 total

ref: mol2, SDF, SMILES, flexibase
-0.96,3.8,-16.23,0,3,0, 129.159, 2

Similar to: 32194894,
156874
 
#47

Scientific Exchange (make on demand): H-044955
AKOS: AKOS003557033
Alfa-Aesar: A18766
Anward: ANW-33710
Chembo Pharma: KB-56644...56 total

ref: mol2, SDF, SMILES, flexibase
0.90,4.33,-9.28,0,2,0, 149.193, 1

Similar to: 1555237, 39293422,
4255613
 
#48

ChemMol: 44010383, 96707715
Molport: MolPort-002-498-059
AKOS: AKOS015839835
Alfa-Aesar: L08757
Anward: ANW-22626...30 total

ref: mol2, SDF, SMILES, flexibase
4.00,4.21,-9.18,0,4,0, 258.358, 13

Similar to: 1555765, 1610403, 1651887, 1670913, 1684095, ... 9 in total.
1689142
 
#49

ChemMol: 30109069, 44010687
eMolecules: 506772
Molport: MolPort-002-501-605
Acorn PharmaTech: ACN-S002414
Acros Organics: 11623...67 total

ref: mol2, SDF, SMILES, flexibase
0.47,4.5,-11.9,0,4,0, 160.169, 6
391910
 
#50

Molport: MolPort-002-501-606
Acros Organics: 41390
AK Scientific: X6007
AKOS: AKOS015837930
Alfa-Aesar: L15459...90 total

ref: mol2, SDF, SMILES, flexibase
0.73,3.07,-6.08,0,3,0, 132.159, 4

Similar to: 5760880, 5760889, 34599002, 34599003, ... 4 in total.
391911
 
#51

Molport: MolPort-002-501-606
Acros Organics: 41390
AK Scientific: X6007
AKOS: AKOS015837930
Alfa-Aesar: L15459...91 total

ref: mol2, SDF, SMILES, flexibase
0.73,3.07,-6.11,0,3,0, 132.159, 4

Similar to: 5760880, 5760889, 34599002, 34599003, ... 4 in total.
3860246
 
#52

ChemMol: 97602691, 44003248, 44017377, 30103442
Molport: MolPort-002-501-607
AK Scientific: U620
Alfa-Aesar: L05138, L20258
American Custom Chemicals Corp.: CCH0006417...120 total

ref: mol2, SDF, SMILES, flexibase
-1.33,-6.03,-6.27,3,3,0, 106.121, 3

Similar to: 33798498,
1690069
 
#53

ChemMol: 44019025, 97602683, 30103463
Molport: MolPort-002-501-607
AK Scientific: W7968
Alfa-Aesar: L05138
American Custom Chemicals Corp.: CHM0015904...116 total

ref: mol2, SDF, SMILES, flexibase
-1.33,-6.03,-6.26,3,3,0, 106.121, 3

Similar to: 33798498,
1529296
 
#54

eMolecules: 718553
Molport: MolPort-002-501-608
Scientific Exchange (make on demand): M-374427
Acros Organics: 42244
AKOS: AKOS009031546...85 total

ref: mol2, SDF, SMILES, flexibase
0.99,0.53,-7.36,2,2,0, 101.149, 3

Similar to: 1532806,
1684095
 
#55

ChemMol: 96707626
Molport: MolPort-002-501-609
AKOS: AKOS015839892
Alfa-Aesar: B22026
BioSynth: P-6815...30 total

ref: mol2, SDF, SMILES, flexibase
1.48,6.09,-10.92,0,4,0, 188.223, 8

Similar to: 2389934, 4255613, 4416389, 4528570, 4789666, ... 23 in total.
1724406
 
#56

AKOS: AKOS015833473
BOC Sciences BB: 15110-74-4
Chembo Pharma: KB-165407
Fluorochem: 341741
Frinton: FR-0158...21 total

ref: mol2, SDF, SMILES, flexibase
3.68,2.26,-13.11,0,6,0, 256.217, 2

Similar to: 5800280, 6116902, 6116903,
291792
 
#57

ChemMol: 44010155
eMolecules: 481636
Molport: MolPort-001-768-843
Scientific Exchange (make on demand): F-249397
ACT Chemical BB: ACT05064...58 total

ref: mol2, SDF, SMILES, flexibase
3.30,4.7,-40.17,0,2,-1, 210.303, 2
hi: mol2, SDF, SMILES, flexibase
4.28,7.49,-5.35,0,5,0, 328.449, 10

Similar to: 34356381, 39021188,
119389
 
#58

eMolecules: 480252
Acros Organics: 15606
AK Scientific: S644
Alfa-Aesar: H59589
Alinda Building Blocks: ALBB-021307...49 total

ref: mol2, SDF, SMILES, flexibase
3.89,8.27,-5.18,0,2,0, 196.29, 4

Similar to: 33842176, 33842217, 33842218, 33842219, 33842362, ... 40 in total.
119386
 
#59

eMolecules: 480252
Acros Organics: 15606
AK Scientific: S644
Alfa-Aesar: H59589
Alinda Building Blocks: ALBB-021307...47 total

ref: mol2, SDF, SMILES, flexibase
3.89,8.47,-4.37,0,2,0, 196.29, 4

Similar to: 33842217, 33842218, 33842219, 33842362, 33842363, ... 39 in total.
119385
 
#60

eMolecules: 480252
Acros Organics: 15606
AK Scientific: S644
Alfa-Aesar: H59589
Alinda Building Blocks: ALBB-021307...50 total

ref: mol2, SDF, SMILES, flexibase
3.89,8.46,-4.55,0,2,0, 196.29, 4

Similar to: 33842217, 33842218, 33842219, 33842362, 33842363, ... 35 in total.
119381
 
#61

eMolecules: 480252
Acros Organics: 15606
AK Scientific: S644
Alfa-Aesar: H59589
Alinda Building Blocks: ALBB-021307...47 total

ref: mol2, SDF, SMILES, flexibase
3.89,8.38,-5.29,0,2,0, 196.29, 4

Similar to: 26287816, 33842217, 33842218, 33842219, 33842362, ... 40 in total.
1529658
 
#62

Molport: MolPort-002-501-613
American Custom Chemicals Corp.: FFG0000335
BOC Sciences BB: 19317-11-4
FineTech: FT-0626381
Fluorochem: 341744...35 total

ref: mol2, SDF, SMILES, flexibase
5.50,3.94,-6.21,0,1,0, 220.356, 7

Similar to: 1531566, 5359401, 16027066, 31982258, 31982262, ... 7 in total.
49755
 
#63

ChemMol: 30111473
eMolecules: 45479693
Molport: MolPort-000-861-024
Scientific Exchange (make on demand): POD_23/0154
AF ChemPharm: CP/6V-048...66 total

ref: mol2, SDF, SMILES, flexibase
3.62,5.55,-8.92,1,2,0, 195.221, 0
ref: mol2, SDF, SMILES, flexibase
3.25,5.91,-7.2,0,2,0, 195.221, 1
1529210
 
#64

eMolecules: 484554
Molport: MolPort-006-112-129
TCM Database @ Taiwan: 25879, tcm03_003309
Acros Organics: 41090
AKOS: AKOS009031393...183 total

ref: mol2, SDF, SMILES, flexibase
3.20,4.3,-3.25,1,1,0, 154.253, 4

Similar to: 5158128, 5158458, 12405252, 31880056, 33838278, ... 9 in total.
397128
 
#65

Aldrich CPR: S662607|ALDRICH
Element Store BB: b2star-778-18-7
FineTech: FT-0627017
Frinton: FR-0196
NCI Plated 2007: 666529...16 total

ref: mol2, SDF, SMILES, flexibase
1.16,5.07,-9.39,0,3,0, 210.273, 0

Similar to: 8311681, 11539186, 32205674, 32215830, 32215833, ... 20 in total.
4726868
 
#66

eMolecules: 732467
Molport: MolPort-002-501-616
AK Scientific: 0596AE
AKOS: AKOS002942311
Aldrich CPR: CDS013723|ALDRICH...35 total

ref: mol2, SDF, SMILES, flexibase
-0.58,-0.98,-15.24,1,4,0, 131.131, 2

Similar to: 34632696, 39288527,
2584532
 
#67

Molport: MolPort-002-501-617
AK Scientific: 3193AB
Alfa-Aesar: H25836
Ark Pharm Building Blocks: AK116355
BePharm Building Blocks: B57972...23 total

ref: mol2, SDF, SMILES, flexibase
1.23,4.53,-4.98,0,1,0, 93.129, 0

Similar to: 34545702,
29584
 
#68

eMolecules: 889067
Molport: MolPort-001-525-923
Scientific Exchange (make on demand): H-045704
AK Scientific: 5619AD
AKOS: AKOS003277417...112 total

ref: mol2, SDF, SMILES, flexibase
-0.45,-1.94,-19.38,4,4,0, 164.164, 2

Similar to: 6524424,
1457069
 
#69

eMolecules: 495414
Molport: MolPort-001-551-223
Scientific Exchange (make on demand): M-044217
AK Scientific: 4862AC
AKOS: AKOS000491583...92 total

ref: mol2, SDF, SMILES, flexibase
-1.23,-3.8,-11.84,3,3,0, 89.094, 1
1457070
 
#70

eMolecules: 495414
Molport: MolPort-001-551-223
Scientific Exchange (make on demand): M-044217
AK Scientific: 6455AE
AKOS: AKOS000491583...90 total

ref: mol2, SDF, SMILES, flexibase
-1.23,-3.85,-8.49,3,3,0, 89.094, 1
1700247
 
#71

Molport: MolPort-002-501-619
Chembo Pharma: KB-53094
Enamine Building Blocks: EN300-196484
EndoTherm: ENK013
FineTech: FT-0627644...19 total

ref: mol2, SDF, SMILES, flexibase
-2.30,-7.06,-13.18,4,4,0, 104.109, 1
1755594
 
#72

Molport: MolPort-002-501-619
Chembo Pharma: KB-53094
Enamine Building Blocks: EN300-196484
EndoTherm: ENK013
FineTech: FT-0627644...20 total

ref: mol2, SDF, SMILES, flexibase
-2.30,-7.15,-13.21,4,4,0, 104.109, 1
115130
 
#73

eMolecules: 890114
Scientific Exchange (make on demand): Q-042961
AK Scientific: 1832AB
AKOS: AKOS000295918
Aldrich CPR: PH006903|ALDRICH...53 total

ref: mol2, SDF, SMILES, flexibase
-1.22,0.14,-9.78,4,4,0, 166.18, 2

Similar to: 34455272, 34455273, 39271931, 39271932, ... 4 in total.
115134
 
#74

eMolecules: 890114
Scientific Exchange (make on demand): Q-042961
AK Scientific: 2922AC, 1832AB
AKOS: AKOS000295918
Aldrich CPR: PH006903|ALDRICH...66 total

ref: mol2, SDF, SMILES, flexibase
-1.22,0.15,-10.06,4,4,0, 166.18, 2

Similar to: 34455272, 34455273, 39271931, 39271932, ... 4 in total.
2584458
 
#75

Molport: MolPort-002-501-620
AK Scientific: 7502AE
FineTech: FT-0611555
Fluorochem: 067669
Frinton: FR-0210...16 total

ref: mol2, SDF, SMILES, flexibase
2.47,-0.01,-2.7,0,1,0, 181.073, 5

Similar to: 37114254,
1594378
 
#76

Molport: MolPort-002-501-622
AKOS: AKOS001084434
Aldrich CPR: S792535|ALDRICH
Angene Building Blocks: AGN-PC-0JMQID
Anward: ANW-36523...30 total

ref: mol2, SDF, SMILES, flexibase
2.36,2.28,-5.78,0,2,0, 184.622, 3

Similar to: 39249058,
2168479
 
#77

Molport: MolPort-002-501-622
AKOS: AKOS001084434
Aldrich CPR: S792535|ALDRICH
Angene Building Blocks: AGN-PC-0JMQID
Anward: ANW-36523...31 total

ref: mol2, SDF, SMILES, flexibase
2.36,2.28,-5.75,0,2,0, 184.622, 3

Similar to: 39249058,
166806
 
#78

eMolecules: 885715
Molport: MolPort-001-572-848
Scientific Exchange (make on demand): M-171911
AKOS: AKOS003297656
Aldrich CPR: S378143|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
2.32,1.28,-7.91,1,3,0, 166.176, 2
3860608
 
#79

eMolecules: 528598
Molport: MolPort-001-793-302
Acros Organics: 12666
AK Scientific: X4462
AKOS: AKOS004909936...43 total

ref: mol2, SDF, SMILES, flexibase
1.46,4.47,-6.78,0,1,0, 110.156, 0
ref: mol2, SDF, SMILES, flexibase
1.46,4.5,-4.47,0,1,0, 110.156, 0

Similar to: 32134577, 38812039, 3201488,
164507
 
#80

ChemMol: 96700109, 44029802
Acros Organics: SB00944, 17022
AK Scientific: X3291
AKOS: AKOS000441921
Alfa-Aesar: A14192...100 total

ref: mol2, SDF, SMILES, flexibase
1.85,3.08,-5.76,0,2,0, 122.123, 0

Similar to: 32135228, 34586560, 39235414, 39243879, 39331373, ... 5 in total.
158545
 
#81

ChemMol: 30105659, 1202543, 44004748, 98000533, 96700110
eMolecules: 485496
Molport: MolPort-001-768-618
Acros Organics: 30768
AKOS: AKOS003612231...66 total

ref: mol2, SDF, SMILES, flexibase
2.64,-0.4,-4.05,0,2,0, 201.019, 0

Similar to: 34557758, 36373872, 39240403,
1670361
 
#82

Molport: MolPort-002-501-623
AKOS: AKOS015839612
Chembo Pharma: KB-194159
EDASA Scientific: BB0268004
FineTech: FT-0619436...40 total

ref: mol2, SDF, SMILES, flexibase
3.30,1.82,-3.12,0,1,0, 150.221, 3

Similar to: 2579416, 34557625,
391896
 
#83

Acros Organics: 12795
AKOS: AKOS009157158
Alfa-Aesar: L07005, A13764
Angene Building Blocks: AGN-PC-0A5NQO
Anward: ANW-33390...42 total

ref: mol2, SDF, SMILES, flexibase
1.88,4.17,-4.69,0,2,0, 116.16, 2

Similar to: 6416490,
4658605
 
#84

Molport: MolPort-002-501-624
TCM Database @ Taiwan: 29476, 38922, tcm03_003838
Acros Organics: 12077
AK Scientific: 5703AC
AKOS: AKOS015838970...78 total

ref: mol2, SDF, SMILES, flexibase
1.35,1.61,-2.45,1,1,0, 100.161, 3

Similar to: 22060201, 31970604, 31970606, 31970608, ... 6 in total.
3875586
 
#85

Molport: MolPort-002-501-625
AKOS: AKOS015839890
Alfa-Aesar: A12593
Anward: ANW-37834
FineTech: FT-0624940...34 total

ref: mol2, SDF, SMILES, flexibase
6.45,4.23,-12.27,0,4,0, 334.456, 14

Similar to: 4521791, 4521792, 5837750, 5837763, 5838271, ... 11 in total.
5997242
 
#86

Acros Organics: 45286
AK Scientific: 9933AB
Aldrich CPR: EME00035|ALDRICH
Angene Building Blocks: AGN-PC-007OEJ
Anward: ANW-34966...33 total

ref: mol2, SDF, SMILES, flexibase
1.98,5.4,-4.15,0,2,0, 140.182, 2

Similar to: 33842687, 33842689, 34458966, 34458967, 34555053, ... 10 in total.
4934070
 
#87

Acros Organics: 45286
AK Scientific: 9933AB
Aldrich CPR: EME00035|ALDRICH
Angene Building Blocks: AGN-PC-007OEJ
Anward: ANW-34966...32 total

ref: mol2, SDF, SMILES, flexibase
1.98,5.38,-4.15,0,2,0, 140.182, 2

Similar to: 5997242, 33842687, 33842689, 34458966, 34458967, ... 10 in total.
1850920
 
#88

TCM Database @ Taiwan: 43192, 28430
AK Scientific: 5652AC
AKOS: AKOS009158321
Alfa-Aesar: A19878
Anward: ANW-39848...46 total

ref: mol2, SDF, SMILES, flexibase
3.31,2.16,-4.69,0,1,0, 142.242, 6

Similar to: 4976487, 5046457, 5047556, 5159523, 5189327, ... 21 in total.
1684713
 
#89

Alfa-Aesar: B20537
Anward: ANW-35731
Element Store BB: b2star-6963-44-6
Fluorochem: 341757
Frinton: FR-0245...17 total

ref: mol2, SDF, SMILES, flexibase
1.50,6.41,-9.94,0,4,0, 188.223, 8

Similar to: 34596437, 34596438, 34950745,
157317
 
#90

ChemMol: 30100056
Molport: MolPort-002-501-628
AK Scientific: K897
Alfa-Aesar: A14864
Angene Building Blocks: AGN-PC-0JS9IE...38 total

ref: mol2, SDF, SMILES, flexibase
5.45,2.49,-5.33,0,2,0, 262.308, 4

Similar to: 1561846,
1725834
 
#91

Molport: MolPort-002-501-630
AK Scientific: 3581AD
Aldrich CPR: S364576|ALDRICH
Alinda Building Blocks: ALBB-011768
BOC Sciences BB: 13043-98-6...21 total

ref: mol2, SDF, SMILES, flexibase
-2.32,-11.11,-19.4,6,6,0, 188.231, 6

Similar to: 2146703, 5178594, 1602852, 1602853, 1677674, ... 6 in total.
1953
 
#92

ChemMol: 30101460, 44008236
TCM Database @ Taiwan: tcm03_006923
Acros Organics: 13134
AKOS: AKOS002662846
Alfa-Aesar: A14072...101 total

ref: mol2, SDF, SMILES, flexibase
1.62,2.9,-7.59,0,3,0, 150.133, 1
243097
 
#93

eMolecules: 3736402
Molport: MolPort-000-913-571
Scientific Exchange (make on demand): Z-077622
AKOS: AKOS001581819
Aldrich CPR: S639753|ALDRICH...23 total

ref: mol2, SDF, SMILES, flexibase
4.00,8.41,-6.67,0,3,0, 268.36, 5
lo: mol2, SDF, SMILES, flexibase
4.00,8.09,-33.31,1,3,1, 269.368, 5
lo: mol2, SDF, SMILES, flexibase
4.00,8.78,-30.73,1,3,1, 269.368, 5
1577385
 
#94

eMolecules: 889580
Molport: MolPort-002-501-631
TCM Database @ Taiwan: 28434
AK Scientific: 7826AB
AKOS: AKOS008901267...36 total

ref: mol2, SDF, SMILES, flexibase
2.67,1.73,-4.43,0,1,0, 140.226, 1

Similar to: 1707451, 1707470, 1726904, 5762178, 5768065, ... 37 in total.
4261773
 
#95

Acros Organics: 11020
Alfa-Aesar: L03590
BioSynth: Q-200845
Frinton: FR-0276
TCI: C0320...13 total

ref: mol2, SDF, SMILES, flexibase
9.11,20,-5.83,0,2,0, 490.772, 8

Similar to: 5221477, 5221481, 5221486, 5221494, 8382303, ... 52 in total.
2146703
 
#96

eMolecules: 3926188
Molport: MolPort-001-011-925
Scientific Exchange: POD_13/0544
AKOS: AKOS003239125
Alinda: IVK/9091453...24 total

ref: mol2, SDF, SMILES, flexibase
-1.81,-10.99,-15.86,6,6,0, 202.258, 7

Similar to: 5178594, 1725834,
1597412
 
#97

Chembo Pharma: KB-13023
FineTech: FT-0608155
Fluorochem: 341779
Frinton: FR-0309
NCI Plated 2007: 404582...15 total

ref: mol2, SDF, SMILES, flexibase
1.44,3.49,-7.73,1,4,0, 159.185, 2

Similar to: 34480058, 34480060,
2041681
 
#98

Aldrich CPR: S571377|ALDRICH
Chembo Pharma: KB-17672
FineTech: FT-0617179
Fluorochem: 341780
Frinton: FR-0310...18 total

ref: mol2, SDF, SMILES, flexibase
0.26,-3.76,-6.95,1,3,0, 129.159, 1

Similar to: 32150679, 32150683, 32153351,
1620681
 
#99

Aldrich CPR: S571377|ALDRICH
Chembo Pharma: KB-17672
FineTech: FT-0617179
Fluorochem: 341780
Frinton: FR-0310...19 total

ref: mol2, SDF, SMILES, flexibase
0.26,-3.76,-7.02,1,3,0, 129.159, 1

Similar to: 32150679, 32150683, 32153351,
2146866
 
#100

Molport: MolPort-002-478-132
AKOS: AKOS015839044
Alfa-Aesar: A19941
FineTech: FT-0606503
Florida Heterocyclic Compounds: 7559...17 total

ref: mol2, SDF, SMILES, flexibase
6.23,14.23,-10.62,0,3,0, 390.438, 6

Similar to: 32224520, 34481621, 39373616,

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 = 196 ) limit 0,100

Smiles were