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2510358
 
#1

ChemMol: 44002729, 30102586, 44002222
eMolecules: 4397096
Molport: MolPort-002-537-529, MolPort-023-220-294, MolPort-005-935-649
Scientific Exchange (make on demand): H-095879, M-317662
Acros Organics: 17173...288 total

ref: mol2, SDF, SMILES, flexibase
2.18,4.66,-7.46,2,4,0, 252.273, 2
mid: mol2, SDF, SMILES, flexibase
2.36,2.13,-45.39,1,4,-1, 251.265, 2

Similar to: 32254056,
2548959
 
#2

ChemMol: 44002506, 30102191
eMolecules: 533332
Scientific Exchange (make on demand): F-137803
TCM Database @ Taiwan: tcm03_009004, 25806
Acros Organics: 21415...116 total

ref: mol2, SDF, SMILES, flexibase
2.28,6.1,-16.38,0,4,0, 216.192, 1

Similar to: 5863036, 39291087, 39291089,
56721
 
#3

Labotest: LT00453128
Mcule: MCULE-3766215049
MicroSource Pharmakon: 01505426
MicroSource US Drugs: 01505426
NCI Plated 2007: 10679...55 total

ref: mol2, SDF, SMILES, flexibase
1.76,-0.91,-11.89,2,5,0, 258.324, 3
hi: mol2, SDF, SMILES, flexibase
1.76,-0.43,-46.1,1,5,-1, 257.316, 3
hi: mol2, SDF, SMILES, flexibase
1.76,0,-24.43,2,5,0, 258.324, 3

Similar to: 6411186,
3813042
 
#4

ChemMol: 30102485
eMolecules: 534436
Scientific Exchange (make on demand): Z-033238
AK Scientific: H501
AKOS: AKOS000715163...156 total

ref: mol2, SDF, SMILES, flexibase
-1.15,-4.36,-19.16,3,7,0, 222.251, 2
mid: mol2, SDF, SMILES, flexibase
-1.15,-3.88,-51.46,2,7,-1, 221.243, 2

Similar to: 3927785, 4217364, 5160002, 32218284, ... 4 in total.
18115268
 
#5

ChemMol: 2100026
eMolecules: 1107425
Molport: MolPort-001-838-193
AK Scientific: H505
Aldrich CPR: R427322|ALDRICH...101 total

ref: mol2, SDF, SMILES, flexibase
0.14,8.62,-36.92,4,6,1, 253.355, 7
ref: mol2, SDF, SMILES, flexibase
0.14,7.63,-35.87,4,6,1, 253.355, 7
ref: mol2, SDF, SMILES, flexibase
0.14,7.9,-14.24,3,6,0, 252.347, 7
mid: mol2, SDF, SMILES, flexibase
0.14,8.8,-43.03,4,6,1, 253.355, 7
mid: mol2, SDF, SMILES, flexibase
0.14,8.62,-36.86,4,6,1, 253.355, 7
mid: mol2, SDF, SMILES, flexibase
0.14,8.15,-10.62,3,6,0, 252.347, 7
mid: mol2, SDF, SMILES, flexibase
0.14,7.9,-14.71,3,6,0, 252.347, 7
mid: mol2, SDF, SMILES, flexibase
0.14,8.95,-14.02,3,6,0, 252.347, 7
mid: mol2, SDF, SMILES, flexibase
0.14,7.63,-35.75,4,6,1, 253.355, 7
mid: mol2, SDF, SMILES, flexibase
0.14,7.17,-9.15,3,6,0, 252.347, 7
mid: mol2, SDF, SMILES, flexibase
0.14,7.17,-10,3,6,0, 252.347, 7
mid: mol2, SDF, SMILES, flexibase
0.14,7.14,-10.14,3,6,0, 252.347, 7
mid: mol2, SDF, SMILES, flexibase
0.14,8.36,-43.93,4,6,1, 253.355, 7
mid: mol2, SDF, SMILES, flexibase
0.14,7.14,-9.29,3,6,0, 252.347, 7
mid: mol2, SDF, SMILES, flexibase
0.14,7.6,-35.87,4,6,1, 253.355, 7
mid: mol2, SDF, SMILES, flexibase
0.14,8.34,-13.86,3,6,0, 252.347, 7
mid: mol2, SDF, SMILES, flexibase
0.14,8.34,-14.31,3,6,0, 252.347, 7

Similar to: 31475416,
896569
 
#6

ChemMol: 30100984, 80101468
eMolecules: 539058
Scientific Exchange (make on demand): POD_84/0364
AKOS: AKOS000121373
Alfa-Aesar: B22093...185 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-5.31,-19.65,4,7,0, 297.745, 1
120319
 
#7

ChemMol: 30109754, 80101128, 44006966, 30101816
eMolecules: 474308, 902466
Molport: MolPort-028-603-008
Scientific Exchange (make on demand): Z-007807
AK Scientific: H458...249 total

ref: mol2, SDF, SMILES, flexibase
-0.04,2.34,-13.69,3,6,0, 250.283, 3
mid: mol2, SDF, SMILES, flexibase
-0.04,2.01,-53.73,2,6,-1, 249.275, 3

Similar to: 3202275, 5889309, 16998944, 25501219, 25501222, ... 5 in total.
57494
 
#8

ChemMol: 1201530, 30105131, 44004432, 98000567
eMolecules: 474320
Scientific Exchange (make on demand): POD_10/0459
Acros Organics: 19930
AK Scientific: O349...167 total

ref: mol2, SDF, SMILES, flexibase
0.84,3.5,-13.79,3,6,0, 278.337, 3
mid: mol2, SDF, SMILES, flexibase
0.84,3.2,-57.09,2,6,-1, 277.329, 3

Similar to: 37053918, 37053919, 38602477,
13545636
 
#9

ChemMol: 44025200
Molport: MolPort-019-940-240, MolPort-002-561-071, MolPort-005-940-903
Scientific Exchange (make on demand): F-396243
AKOS: AKOS005747028
IBScreen: STOCK2S-15760...445 total

ref: mol2, SDF, SMILES, flexibase
2.04,1.21,-4.95,2,5,0, 226.276, 4
hi: mol2, SDF, SMILES, flexibase
1.34,-1.29,-36.4,1,5,-1, 225.268, 4
13545634
 
#10

ChemMol: 44025200
Molport: MolPort-002-561-071, MolPort-005-940-903, MolPort-019-940-240
Scientific Exchange (make on demand): F-396243
AKOS: AKOS005747028
IBScreen: STOCK2S-15760...451 total

ref: mol2, SDF, SMILES, flexibase
2.04,1.22,-4.96,2,5,0, 226.276, 4
hi: mol2, SDF, SMILES, flexibase
1.34,-1.29,-36.41,1,5,-1, 225.268, 4
5508997
 
#11

Scientific Exchange: POD_28/0486
NCI Plated 2007: 27156
Tetrahedron Building Blocks: TS18620
TimTec: ST45375194
ChEMBL DrugStore: CHEMBL450...31 total

ref: mol2, SDF, SMILES, flexibase
1.21,1.48,-5.14,1,5,0, 198.222, 2
mid: mol2, SDF, SMILES, flexibase
0.51,-1.08,-36.85,0,5,-1, 197.214, 2

Similar to: 8729054, 8729058, 32222651, 34615518, 35837270, ... 6 in total.
1530968
 
#12

eMolecules: 496659
AK Scientific: 0895AC
Ark Pharm Building Blocks: AK116474
BePharm Building Blocks: B133111
Chembo Pharma: KB-247348...111 total

ref: mol2, SDF, SMILES, flexibase
7.10,6.77,-3,2,2,0, 406.907, 2
mid: mol2, SDF, SMILES, flexibase
7.10,7.44,-29.19,1,2,-1, 405.899, 2
hi: mol2, SDF, SMILES, flexibase
7.10,8.19,-81.93,0,2,-2, 404.891, 2

Similar to: 31302577, 31561838, 32223845, 36468840, ... 4 in total.
6409735
 
#13

ChemMol: 30111776, 96700213
eMolecules: 491690
Acros Organics: SB01341
AK Scientific: L813
AKOS: AKOS000120779...157 total

ref: mol2, SDF, SMILES, flexibase
3.62,3.69,-5.63,1,2,0, 305.502, 0
mid: mol2, SDF, SMILES, flexibase
3.62,4.45,-38.91,0,2,-1, 304.494, 0
155694
 
#14

Acros Organics: 20396
Aldrich CPR: PH006885|ALDRICH
Alfa-Aesar: L11508
BioSynth: W-105248
MicroSource Pharmakon: 01500213...116 total

ref: mol2, SDF, SMILES, flexibase
0.76,3.69,-9.87,1,4,0, 261.089, 5
ref: mol2, SDF, SMILES, flexibase
0.76,3.27,-10.81,1,4,0, 261.089, 5

Similar to: 1557199, 1558365, 1558370, 1559318, 1559319, ... 13 in total.
1916
 
#15

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
897234
 
#16

BioSynth: Q-201861
MedChem Express: HY-B0235
MicroSource Pharmakon: 01500590
MicroSource US Drugs: 01500590
Prestwick Chemical: Prestw-825...42 total

ref: mol2, SDF, SMILES, flexibase
1.11,-3.71,-17.79,4,7,0, 380.662, 2
mid: mol2, SDF, SMILES, flexibase
1.11,-4.11,-42.69,3,7,-1, 379.654, 2

Similar to: 34337302, 34337304,
897236
 
#17

BioSynth: Q-201861
MedChem Express: HY-B0235
MicroSource Pharmakon: 01500590
MicroSource US Drugs: 01500590
Prestwick Chemical: Prestw-825...41 total

ref: mol2, SDF, SMILES, flexibase
1.11,-3.72,-17.55,4,7,0, 380.662, 2
mid: mol2, SDF, SMILES, flexibase
1.11,-4.23,-39.73,3,7,-1, 379.654, 2

Similar to: 34337302, 34337304,
1530796
 
#18

ChemMol: 30105095
APIChem: AC-16077
Tetrahedron Building Blocks: TS49287
AKOS BB (make-on-demand): AKOS015897742
Bosche Scientific (Depleted): G9800...41 total

ref: mol2, SDF, SMILES, flexibase
1.69,4.27,-9.63,1,3,0, 217.268, 2

Similar to: 1530797, 3634688, 3634690, 3636646, 3636648, ... 12 in total.
1530797
 
#19

ChemMol: 30105095
APIChem: AC-16077
Tetrahedron Building Blocks: TS49287
AKOS BB (make-on-demand): AKOS015897742
Bosche Scientific (Depleted): G9800...36 total

ref: mol2, SDF, SMILES, flexibase
1.69,-0.06,-9.52,1,3,0, 217.268, 2

Similar to: 3634688, 3634690, 3636646, 3636648, 3650717, ... 12 in total.
3814422
 
#20

ChemMol: 30107875
Molport: MolPort-002-507-387, MolPort-003-933-840
Angene Building Blocks: AGN-PC-0SP91J
APIChem: AC-20270
BePharm Building Blocks: B105810...86 total

ref: mol2, SDF, SMILES, flexibase
3.69,7.55,-6.8,1,2,0, 302.458, 0
3875441
 
#21

ChemMol: 30109765
Molport: MolPort-002-507-475, MolPort-002-529-443
APIChem: AC-3522
BioSynth: Q-201857
Bosche Scientific: T6435...44 total

ref: mol2, SDF, SMILES, flexibase
2.07,8.58,-21.04,2,8,0, 478.513, 6

Similar to: 3882062, 3882063, 3882064, 3977906, 3977907, ... 15 in total.
8034120
 
#22

eMolecules: 520405
Acros Organics: 15168
Alfa-Aesar: A10831
Apollo Scientific Bioactives: BIH0153
Chembo Pharma: KB-219051...82 total

ref: mol2, SDF, SMILES, flexibase
-0.94,-4.28,-13.32,4,4,0, 76.055, 0
hi: mol2, SDF, SMILES, flexibase
-0.94,-3.07,-51.8,3,4,-1, 75.047, 0
1590
 
#23

ChemMol: 44002528
eMolecules: 523728
Scientific Exchange (make on demand): Q-049151
Acros Organics: 12260
AKOS: AKOS000119062...230 total

ref: mol2, SDF, SMILES, flexibase
-0.97,-0.4,-10.32,3,4,0, 137.142, 1
18099446
 
#24

ChemMol: 44002001, 30113602
AK Scientific: H539
American Custom Chemicals Corp.: API0002201
APIChem: AC-8116
BioSynth: W-106228...85 total

ref: mol2, SDF, SMILES, flexibase
-0.13,-0.85,-14.04,3,7,0, 182.187, 3
ref: mol2, SDF, SMILES, flexibase
-0.13,-0.87,-19.56,3,7,0, 182.187, 3
ref: mol2, SDF, SMILES, flexibase
-0.13,0.15,-14,3,7,0, 182.187, 3
mid: mol2, SDF, SMILES, flexibase
-0.92,-3.57,-44.97,2,7,-1, 181.179, 3
mid: mol2, SDF, SMILES, flexibase
-0.92,-3.12,-22.5,3,7,0, 182.187, 3
mid: mol2, SDF, SMILES, flexibase
-0.92,-3.58,-44.91,2,7,-1, 181.179, 3
lo: mol2, SDF, SMILES, flexibase
-0.13,0.66,-24,4,7,0, 183.195, 3
1530855
 
#25

ChemMol: 30102214
AK Scientific: H801
AKOS: AKOS004120070
APIChem: AC-12456
Bachem: Q-1020...100 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.15,-10.17,3,4,0, 232.283, 2

Similar to: 1530856, 3642235, 5923953, 5954857, 39270288, ... 6 in total.
1530856
 
#26

ChemMol: 30102214
AK Scientific: H801
AKOS: AKOS004120070
APIChem: AC-12456
Bachem: Q-1020...104 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.19,-10.22,3,4,0, 232.283, 2

Similar to: 3642235, 5923953, 5954857, 28767186, 28767188, ... 8 in total.
1249069
 
#27

Scientific Exchange (make on demand): F-362840
AKOS: AKOS000636746
IBScreen Bioactives: Bio-0463
Mcule: MCULE-2705262252
NCI Plated 2007: 631619...53 total

ref: mol2, SDF, SMILES, flexibase
2.86,5.28,-7.85,1,3,0, 270.719, 1
lo: mol2, SDF, SMILES, flexibase
2.86,6.15,-31.26,2,3,1, 271.727, 1

Similar to: 34635302, 34635303, 34635605, 34635606, 39240812, ... 7 in total.
643138
 
#28

BioSynth: Q-201267
Chembo Pharma: KB-151536
KeyOrganics Bioactives: KS-1205
MedChem Express: HY-B0105
MicroSource Pharmakon: 01500362...102 total

ref: mol2, SDF, SMILES, flexibase
3.77,12.55,-49.34,1,8,1, 532.448, 7

Similar to: 643143, 643153, 3872994, 39317601, 39317602, ... 23 in total.
5224188
 
#29

eMolecules: 483582
L99A non-binders: DIMETHYL-SULFOXIDE
Acros Organics: 34844, 39760, 12779, 32688, 16629, 35484, 41488, 35144, 16785, 32718, 39075, 42694, 21733, 29552
AKOS: AKOS015832913
Alfa-Aesar: A16893...239 total

ref: mol2, SDF, SMILES, flexibase
-0.69,-0.2,-10.91,0,1,0, 78.136, 0
3830387
 
#30

eMolecules: 535644
BioSynth: W-108025
Chembo Pharma: KB-216399
IBScreen Bioactives: Bio-0118
MicroSource Pharmakon: 01503110...45 total

ref: mol2, SDF, SMILES, flexibase
1.67,2.01,-5.18,1,5,0, 214.052, 5

Similar to: 4934781, 4934784, 4934785, 4958274, ... 4 in total.
3831006
 
#31

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,
622123
 
#32

Molport: MolPort-001-934-124
Acros Organics: 22745
AK Scientific: M542
AKOS: AKOS000715079
Alfa-Aesar: B23521...132 total

ref: mol2, SDF, SMILES, flexibase
1.58,4.81,-12.73,0,6,0, 352.77, 3

Similar to: 622126, 3645974, 3645979, 32177722, 32177727, ... 29 in total.
56648
 
#33

eMolecules: 492659
Acros Organics: RDP00167
AK Scientific: K009
Angene Building Blocks: AGN-PC-0BTSDG
Anward: ANW-42230...139 total

ref: mol2, SDF, SMILES, flexibase
3.72,7.71,-6.06,0,3,0, 242.702, 5

Similar to: 3634641, 5350680, 31555512, 31555513, 31555514, ... 10 in total.
18274777
 
#34

ChemMol: 30117015, 1202927, 44002554, 98000234
eMolecules: 474380
Acros Organics: 10233
ACT Chemical BB: ACT06727
AK Scientific: H865...300 total

ref: mol2, SDF, SMILES, flexibase
0.68,0.54,-10.06,2,3,0, 151.165, 1
1084
 
#35

ChemMol: 30102480, 1032194
Scientific Exchange (make on demand): Q-024591
UEFS Natural Products: uefs-497
Acros Organics: 10816, 39354
AK Scientific: O926...381 total

ref: mol2, SDF, SMILES, flexibase
0.06,4.9,-11.47,0,6,0, 194.194, 0
575
 
#36

Bosche Scientific: O5756
Sigma Aldrich (Building Blocks): O1755|SIGMA, O5254|SIGMA, O1381|SIGMA
Tetrahedron Building Blocks: TS54977
Toronto Research Chemicals: O845700, O845702
BindingDB.org: 85031...77 total

ref: mol2, SDF, SMILES, flexibase
1.84,1.04,-8.23,2,4,0, 286.718, 1
hi: mol2, SDF, SMILES, flexibase
2.02,-1.08,-50.39,1,4,-1, 285.71, 1

Similar to: 509440,
509440
 
#37

Bosche Scientific: O5756
IBScreen Bioactives: Bio-0749
Sigma Aldrich (Building Blocks): O1755|SIGMA, O5254|SIGMA, O1381|SIGMA
Tetrahedron Building Blocks: TS54977
Toronto Research Chemicals: O845702...79 total

ref: mol2, SDF, SMILES, flexibase
1.84,2.21,-11.02,2,4,0, 286.718, 1
hi: mol2, SDF, SMILES, flexibase
2.02,0.08,-55.63,1,4,-1, 285.71, 1

Similar to: 32264262, 33580797, 39240815, 39240816, ... 5 in total.
431
 
#38

ChemMol: 97900368, 97600479
Active BioPharma: 696
BePharm Building Blocks: B20035
ChiralBlock BioScience BB: 736
Sequoia Research Products: 18878-17-6...83 total

ref: mol2, SDF, SMILES, flexibase
2.47,1.26,-9.16,2,4,0, 321.163, 1

Similar to: 896595,
896595
 
#39

ChemMol: 97900368
Active BioPharma: 696
BePharm Building Blocks: B20035
Sequoia Research Products: 18878-17-6
Sigma Aldrich (Building Blocks): L1764|SIGMA...78 total

ref: mol2, SDF, SMILES, flexibase
2.47,-6.06,-11.73,2,4,0, 321.163, 1

Similar to: 33753679, 33753680, 39240815, 39240816, ... 5 in total.
120286
 
#40

ChemMol: 80101119, 30103593
Scientific Exchange (make on demand): R-035360
Acorn PharmaTech: ACN-S002486
AKOS: AKOS003790819
Alfa-Aesar: B20044...127 total

ref: mol2, SDF, SMILES, flexibase
0.82,2.67,-11.38,6,7,0, 253.269, 1
mid: mol2, SDF, SMILES, flexibase
0.82,3.17,-25.15,7,7,1, 254.277, 1

Similar to: 603370, 603371, 603372, 603373, 603376, ... 11 in total.
267
 
#41

American Custom Chemicals Corp.: API0005579
Toronto Research Chemicals: E677000, E677002
AK Scientific (Depleted): X2131
AKOS BB (make-on-demand): AKOS015903758
ChEBI: CHEBI:4882...30 total

ref: mol2, SDF, SMILES, flexibase
1.56,0.94,-3.12,1,1,0, 144.601, 2

Similar to: 897283, 12503063, 12503065,
897283
 
#42

American Custom Chemicals Corp.: API0005579
Toronto Research Chemicals: E677000, E677002
AK Scientific (Depleted): X2131
AKOS BB (make-on-demand): AKOS015903758
ChEBI: CHEBI:4882...35 total

ref: mol2, SDF, SMILES, flexibase
1.56,0.93,-4.22,1,1,0, 144.601, 2

Similar to: 12503063, 267,
1530755
 
#43

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
2005
 
#44

ChemMol: 44011445
eMolecules: 531199
Molport: MolPort-023-219-632
Scientific Exchange (make on demand): Z-001854
Acros Organics: 15764...99 total

ref: mol2, SDF, SMILES, flexibase
-0.51,-4.55,-7.5,2,4,0, 123.115, 1
3977981
 
#45

ChemMol: 30106817, 2100036, 44005570
Molport: MolPort-002-507-470
American Custom Chemicals Corp.: API0002730
APIChem: AC-429
Aronis BuildingBlocks: BBC/733...115 total

ref: mol2, SDF, SMILES, flexibase
2.57,5.66,-19.89,2,6,0, 452.494, 2

Similar to: 3977982, 3977983, 4273380, 4273381, 4544801, ... 37 in total.
1283
 
#46

ChemMol: 30102812
American Custom Chemicals Corp.: CHM0014205
APIChem: AC-13162
BOC Sciences BB: 13029-44-2
Bosche Scientific: D2277...72 total

ref: mol2, SDF, SMILES, flexibase
3.82,5.95,-5.56,2,2,0, 266.34, 3

Similar to: 4742540, 7997592, 12503200, 38664631, ... 4 in total.
8214587
 
#47

Acros Organics: 11523
Chembo Pharma: KB-76595
Sigma Aldrich (Building Blocks): D0879|SIGMA
Toronto Research Chemicals: D455300
BindingDB.org: 50022772...28 total

ref: mol2, SDF, SMILES, flexibase
1.15,2.65,-7.48,0,3,0, 184.147, 4
6310
 
#48

ChemMol: 30100852
eMolecules: 498059
Scientific Exchange (make on demand): POD_52/0260
Acros Organics: 10436
AKOS: AKOS000119322...168 total

ref: mol2, SDF, SMILES, flexibase
0.93,0.99,-11.28,4,4,0, 248.307, 2

Similar to: 189374,
20253
 
#49

ChemMol: 30101261
eMolecules: 535944
AK Scientific: H530
Angene Building Blocks: AGN-PC-0UBHCY
APIChem: AC-11367...102 total

ref: mol2, SDF, SMILES, flexibase
1.22,-2.11,-15.19,4,6,0, 338.772, 2

Similar to: 57255, 39316655, 39316656,
57255
 
#50

ChemMol: 30101261
eMolecules: 535944
AK Scientific: H530
Angene Building Blocks: AGN-PC-0UBHCY
APIChem: AC-11367...110 total

ref: mol2, SDF, SMILES, flexibase
1.22,-2.05,-19.26,4,6,0, 338.772, 2

Similar to: 39316655, 39316656, 20253,
73711
 
#51

ChemMol: 30100131
eMolecules: 510269
Scientific Exchange (make on demand): X-074877
AKOS: AKOS000120940
Alinda: IBS-L0127380...209 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.04,-9.14,1,3,0, 201.254, 1
3876136
 
#52

Apollo Scientific: PC6107
Bosche Scientific: B4898
Combi-Blocks: QA-0291
KeyOrganics Bioactives: KS-5302
MedChem Express: HY-13570A...182 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.57,-15.1,3,5,0, 392.467, 2

Similar to: 5735960, 39282415, 39282416, 39282417, 39282418, ... 5 in total.
3875357
 
#53

ChemMol: 80101126, 30101023
Acros Organics: 44895
American Custom Chemicals Corp.: API0003922, API0003921
APIChem: AC-11112
Ark Pharm Building Blocks: AK-67338...179 total

ref: mol2, SDF, SMILES, flexibase
1.41,4.54,-15.88,2,5,0, 358.434, 2

Similar to: 3977919, 3977920, 3977921, 4216862, 5273641, ... 29 in total.
3833821
 
#54

ChemMol: 30101021, 44010886
Molport: MolPort-023-221-359
Acros Organics: 44947
AK Scientific: I029
American Custom Chemicals Corp.: API0003918...274 total

ref: mol2, SDF, SMILES, flexibase
1.60,3.09,-16.14,3,5,0, 360.45, 2

Similar to: 3881944, 3881945, 3881946, 5275964, 5275965, ... 25 in total.
3875560
 
#55

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.
13520815
 
#56

ChemMol: 2101394, 30117292, 2101389, 44000631, 1203050, 30100431
TCM Database @ Taiwan: tcm03_006461, 37474, 31155
Acorn PharmaTech: ACN-S003579
Acros Organics: 43632
AK Scientific: H061...441 total

ref: mol2, SDF, SMILES, flexibase
3.43,4.8,-5.19,2,2,0, 272.388, 0
903
 
#57

ChemMol: 44008263, 30106718
AKOS: AKOS005066050
APIChem: AC-18721
BioSynth: W-107015
IBScreen Bioactives: Bio-0790...107 total

ref: mol2, SDF, SMILES, flexibase
2.29,9.04,-11.97,0,4,0, 308.772, 1
mid: mol2, SDF, SMILES, flexibase
2.29,9.87,-34.58,1,4,1, 309.78, 1

Similar to: 27324454,
1530867
 
#58

Alfa-Aesar: H61778
BioSynth: Q-201827
Chembo Pharma: KB-81272
MicroSource Pharmakon: 01503324
MicroSource US Drugs: 01503324...40 total

ref: mol2, SDF, SMILES, flexibase
1.07,2.76,-19.54,0,3,0, 189.224, 3

Similar to: 2382835, 5853261,
3812897
 
#59

ChemMol: 30103881
AK Scientific: H075
American Custom Chemicals Corp.: API0000973
APIChem: AC-2169
BioSynth: Q-201076...134 total

ref: mol2, SDF, SMILES, flexibase
3.66,5.85,-5.9,2,2,0, 296.41, 0

Similar to: 3977992, 3977993, 3977994, 4521110, 5211599, ... 29 in total.
1530710
 
#60

Alfa-Aesar: B24362
BOC Sciences BB: 127-48-0
Chembo Pharma: KB-28442
MicroSource Pharmakon: 01505466
MicroSource US Drugs: 01505466...49 total

ref: mol2, SDF, SMILES, flexibase
0.18,1.94,-6.15,0,4,0, 143.142, 0
1530805
 
#61

Aldrich CPR: PH001065|ALDRICH
American Custom Chemicals Corp.: CCH0007821
Anward: ANW-41860
BioSynth: W-109273
Element Store BB: b2star-77-67-8...79 total

ref: mol2, SDF, SMILES, flexibase
0.37,1.01,-7.6,1,3,0, 141.17, 1

Similar to: 1530806, 1699977, 32161227, 32161229, 34347122, ... 11 in total.
1530806
 
#62

Aldrich CPR: PH001065|ALDRICH
American Custom Chemicals Corp.: CCH0007810
Anward: ANW-41860
BioSynth: W-109273
Element Store BB: b2star-77-67-8...82 total

ref: mol2, SDF, SMILES, flexibase
0.37,1.02,-7.61,1,3,0, 141.17, 1

Similar to: 32161227, 32161229, 34347122, 34347123, 34347124, ... 10 in total.
896703
 
#63

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.
14257
 
#64

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.
2105
 
#65

ChemMol: 30100687
eMolecules: 511929
Scientific Exchange (make on demand): Z-049557
AK Scientific: H460
AKOS: AKOS000121424...133 total

ref: mol2, SDF, SMILES, flexibase
0.88,2.08,-12.74,3,5,0, 249.295, 3
hi: mol2, SDF, SMILES, flexibase
0.88,1.62,-51.8,2,5,-1, 248.287, 3
5029557
 
#66

ChemMol: 30101049
Molport: MolPort-002-507-374
AK Scientific: I028
American Custom Chemicals Corp.: API0006449
APIChem: AC-2174...119 total

ref: mol2, SDF, SMILES, flexibase
4.04,11.72,-14.72,0,4,0, 386.532, 3

Similar to: 34585431, 38627122, 38627126, 38627130, 38627134, ... 5 in total.
3834173
 
#67

ChemMol: 97804673, 30107499
Acros Organics: 12235
AK Scientific: I381
AKOS: AKOS015920431, AKOS015856216
Alfa-Aesar: A11542...129 total

ref: mol2, SDF, SMILES, flexibase
-0.80,-3.35,-14.11,3,7,0, 354.1, 2
hi: mol2, SDF, SMILES, flexibase
-0.34,-6.06,-51.55,2,7,-1, 353.092, 2

Similar to: 6091378, 6091380, 32091406, 32091409, ... 5 in total.
896887
 
#68

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.
2009
 
#69

ChemMol: 30113585, 44027744
eMolecules: 593947
Molport: MolPort-003-666-466
AK Scientific: H494
Angene Building Blocks: AGN-PC-0JK84X...107 total

ref: mol2, SDF, SMILES, flexibase
-3.93,5.21,-32.63,0,4,1, 181.215, 2
1530572
 
#70

KeyOrganics Bioactives: KS-5212
MicroSource Pharmakon: 01500152
MicroSource US Drugs: 01500152
Prestwick Chemical: Prestw-1179
Princeton BioMolecular Research: OSSL_477665...42 total

ref: mol2, SDF, SMILES, flexibase
-0.43,-1.19,-22.76,0,6,0, 246.306, 7

Similar to: 34599154, 34621863, 38246873, 39275079, ... 4 in total.
3924790
 
#71

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

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

Similar to: 33820707, 34323643, 34323646, 38791524, ... 13 in total.
1979
 
#72

ChemMol: 44011667
eMolecules: 593774
Scientific Exchange (make on demand): M-982010
AK Scientific: H808
AKOS: AKOS003368409...83 total

ref: mol2, SDF, SMILES, flexibase
0.92,1.9,-12.3,2,4,0, 218.256, 2

Similar to: 32189196, 32199067, 32199070,
453
 
#73

ChemMol: 30105025
APIChem: AC-15964
Bosche Scientific: M3558
Element Store BB: b2star-70989-04-7, b2star-71140-51-7
FineTech: FT-0605165...52 total

ref: mol2, SDF, SMILES, flexibase
1.71,4.6,-7.6,1,4,0, 218.256, 2

Similar to: 896648,
896648
 
#74

ChemMol: 30105025
AK Scientific: Y1463
APIChem: AC-15964
Bosche Scientific: M3558
Element Store BB: b2star-70989-04-7...59 total

ref: mol2, SDF, SMILES, flexibase
1.71,4.68,-7.57,1,4,0, 218.256, 2

Similar to: 38524935, 38524936, 453,
896755
 
#75

AK Scientific: H024
AKOS: AKOS015897109
Anward: ANW-46001
BePharm Building Blocks: B140044
BioSynth: Q-201399...87 total

ref: mol2, SDF, SMILES, flexibase
2.77,3.71,-17.08,3,6,0, 365.842, 2

Similar to: 601254,
601254
 
#76

AK Scientific: H024
AKOS: AKOS015897109
Anward: ANW-46001
BePharm Building Blocks: B140044
BioSynth: Q-201399...96 total

ref: mol2, SDF, SMILES, flexibase
2.77,3.79,-17.4,3,6,0, 365.842, 2

Similar to: 896755,
3813010
 
#77

ChemMol: 44001842, 30101393, 30105344
eMolecules: 511917
Acros Organics: 22760
Alfa-Aesar: L16497
American Custom Chemicals Corp.: HCH0027857...132 total

ref: mol2, SDF, SMILES, flexibase
-1.72,-4.38,-16.24,3,7,0, 246.194, 2
hi: mol2, SDF, SMILES, flexibase
-1.26,-7.12,-54.96,2,7,-1, 245.186, 2

Similar to: 3977743, 3977744, 4045293, 6523987, 6524146, ... 12 in total.
8220828
 
#78

Alfa-Aesar: L10179
Chembo Pharma: KB-21112
MedChem Express: HY-B1010
MicroSource Pharmakon: 01505434
MicroSource US Drugs: 01505434...40 total

ref: mol2, SDF, SMILES, flexibase
2.56,3.87,-1.64,0,0,0, 197.381, 1

Similar to: 8214397,
8214397
 
#79

Alfa-Aesar: L10179
Chembo Pharma: KB-21112
MedChem Express: HY-B1010
MicroSource Pharmakon: 01505434
MicroSource US Drugs: 01505434...40 total

ref: mol2, SDF, SMILES, flexibase
2.56,3.87,-1.64,0,0,0, 197.381, 1

Similar to: 8220828,
2226
 
#80

eMolecules: 532908
Molport: MolPort-001-740-054
TCM Database @ Taiwan: tcm03_008619
Acros Organics: 22988
AK Scientific: W0082...72 total

ref: mol2, SDF, SMILES, flexibase
3.27,8.33,-11.82,0,3,0, 228.247, 0
3881958
 
#81

ChemMol: 30103049
Molport: MolPort-002-507-416
AK Scientific: H066
American Custom Chemicals Corp.: API0002209
APIChem: AC-6836...79 total

ref: mol2, SDF, SMILES, flexibase
4.25,8.29,-9.21,1,3,0, 337.463, 0

Similar to: 3995673, 3995674, 3995676, 4029101, 4029102, ... 31 in total.
2235
 
#82

Aldrich CPR: S375063|ALDRICH
Chembo Pharma: KB-41746
MedChem Express: HY-13544
ChEBI: CHEBI:9884
ChEMBL DrugStore: CHEMBL1488...24 total

ref: mol2, SDF, SMILES, flexibase
0.56,-4.19,-14.06,2,5,0, 252.101, 5
3882052
 
#83

Molport: MolPort-003-933-651, MolPort-002-507-471
AKOS: AKOS015994704
Bosche Scientific: B6436
FineTech: FT-0603592
IBScreen BuildingBlocks: BB_NC-01516...57 total

ref: mol2, SDF, SMILES, flexibase
4.18,1.05,-16.88,2,6,0, 476.585, 7

Similar to: 3978039, 3978040, 3978041, 3978042, 21991724, ... 16 in total.
3977978
 
#84

ChemMol: 44005569, 30106816
Molport: MolPort-002-507-472
AK Scientific: K114
American Custom Chemicals Corp.: API0002731
APIChem: AC-2071...84 total

ref: mol2, SDF, SMILES, flexibase
3.27,9.57,-18.94,1,7,0, 494.531, 4

Similar to: 3977979, 4273382, 4273383, 4945860, 4945862, ... 26 in total.
3875481
 
#85

ChemMol: 30106823, 2100084
Molport: MolPort-002-937-437, MolPort-002-529-154, MolPort-002-507-467, MolPort-023-221-358
AKOS: AKOS005386450
American Custom Chemicals Corp.: API0004486
APIChem: AC-18909...170 total

ref: mol2, SDF, SMILES, flexibase
2.56,5.61,-17.63,2,6,0, 434.504, 2

Similar to: 3882040, 3882041, 3882042, 3977908, 3977909, ... 42 in total.
3881556
 
#86

Molport: MolPort-002-507-065
Scientific Exchange (make on demand): F-446360
Amadis Chemical: A845765
American Custom Chemicals Corp.: API0002610
Aronis BuildingBlocks: BBC/580...58 total

ref: mol2, SDF, SMILES, flexibase
5.56,11.28,-7.13,1,3,0, 356.506, 5

Similar to: 3977999, 3978000, 4544103, 6396443, 6396445, ... 15 in total.
4097305
 
#87

ChemMol: 30109772
AK Scientific: Q834
American Custom Chemicals Corp.: API0002727
APIChem: AC-3514
Bosche Scientific: F5695...87 total

ref: mol2, SDF, SMILES, flexibase
2.59,5.98,-18.64,2,6,0, 434.504, 2

Similar to: 4097306, 5727806, 5727807, 5727821, 5727822, ... 18 in total.
1529266
 
#88

ChemMol: 80101254
eMolecules: 531942
Scientific Exchange (make on demand): F-434599
Acros Organics: 13812
AK Scientific: R531...116 total

ref: mol2, SDF, SMILES, flexibase
3.71,10.59,-14.87,0,2,0, 296.552, 9

Similar to: 3650098,
740
 
#89

Toronto Research Chemicals: T017200, T017202
Alfa Chemistry (Depleted): ACM136765510
BindingDB.org: 50408032
BOC Sciences BB (Depleted): 136765-51-0
ChEMBL DrugStore: CHEMBL967...76 total

ref: mol2, SDF, SMILES, flexibase
2.08,2.69,-8.81,1,4,0, 300.745, 1

Similar to: 896634, 32269323,
896634
 
#90

Toronto Research Chemicals: T017200, T017202
Alfa Chemistry (Depleted): ACM136765510
BindingDB.org: 50408032
BOC Sciences BB (Depleted): 136765-51-0
ChEMBL DrugStore: CHEMBL967...73 total

ref: mol2, SDF, SMILES, flexibase
2.08,-4.51,-8.84,1,4,0, 300.745, 1

Similar to: 32264262, 32269321, 32269323, 33580797, 39240815, ... 7 in total.
1971
 
#91

Sigma Aldrich (Building Blocks): P3654|SIGMA
Tetrahedron Building Blocks: TS77528
AKOS BB (make-on-demand): AKOS015911063
ChEMBL DrugStore: CHEMBL969
ChEMBL12: CHEMBL969...43 total

ref: mol2, SDF, SMILES, flexibase
3.61,9.24,-7.63,0,3,0, 324.811, 3
lo: mol2, SDF, SMILES, flexibase
3.61,10.11,-30.26,1,3,1, 325.819, 3

Similar to: 26576196, 26576197, 32267505,
537811
 
#92

Tetrahedron Building Blocks: TS79167
Toronto Research Chemicals: H101500, H101502
BindingDB.org: 50408018
ChEMBL DrugStore: CHEMBL970
ChEMBL12: CHEMBL970...32 total

ref: mol2, SDF, SMILES, flexibase
3.66,0.97,-10.08,0,3,0, 352.743, 3

Similar to: 34533945, 39252644, 39252645,
1530701
 
#93

AKOS: AKOS003617983
BioSynth: W-105461
Sigma Aldrich (Building Blocks): M0271|SIGMA
Tetrahedron Building Blocks: TS22413
Toronto Research Chemicals: M227750...57 total

ref: mol2, SDF, SMILES, flexibase
1.33,-2.52,-10.81,4,6,0, 218.253, 8

Similar to: 1699982, 5359373, 5360300, 5373101, 5818981, ... 27 in total.
1530820
 
#94

eMolecules: 42849621
Scientific Exchange (make on demand): Q-024601, Q-024600
Aldrich CPR: S398519|ALDRICH
APIChem: AC-4688
BioSynth: Q-201775...71 total

ref: mol2, SDF, SMILES, flexibase
-5.60,12.24,-76.08,0,6,2, 290.404, 11

Similar to: 2272642, 5688954, 5952788, 38416095, ... 4 in total.
970363
 
#95

Amidohydrolase AH-EFI: Adenosine-beta-d-ara
Molport: MolPort-003-666-308
AKOS: AKOS015919711
Alfa-Aesar: A10781
Angene Building Blocks: AGN-PC-0SIZKY...169 total

ref: mol2, SDF, SMILES, flexibase
-0.85,-5.28,-13.98,5,9,0, 267.245, 2

Similar to: 3978047, 3978048, 3978049, 4048240, 34425125, ... 5 in total.
3875333
 
#96

Molport: MolPort-001-740-055, MolPort-016-634-125
AKOS: AKOS015919714
Alfa-Aesar: A18089
Ark Pharm Building Blocks: AK-51737
BePharm Building Blocks: B105729...104 total

ref: mol2, SDF, SMILES, flexibase
2.32,7.13,-13.2,2,6,0, 404.503, 4

Similar to: 3977965, 3977966, 3977967, 3977968, 4082342, ... 51 in total.
271
 
#97

MicroSource Pharmakon: 01505428
MicroSource US Drugs: 01505428
Otava: 1867227
Prestwick Chemical: Prestw-696, 696
ChEBI: CHEBI:60359...41 total

ref: mol2, SDF, SMILES, flexibase
1.13,4.17,-7.86,1,4,0, 204.229, 2

Similar to: 897291, 35133092, 35133093,
897291
 
#98

MicroSource Pharmakon: 01505428
MicroSource US Drugs: 01505428
Otava: 1867227
Prestwick Chemical: Prestw-696, 696
ChEBI: CHEBI:60360...42 total

ref: mol2, SDF, SMILES, flexibase
1.13,4.16,-7.82,1,4,0, 204.229, 2

Similar to: 5851446, 5851462, 34381019, 34381020, 34382945, ... 9 in total.
1530771
 
#99

BOC Sciences BB: 115-67-3
MicroSource Pharmakon: 01505456
MicroSource US Drugs: 01505456
ChEMBL DrugStore: CHEMBL1100
ChEMBL12: CHEMBL1100...28 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.43,-5.98,0,4,0, 157.169, 1

Similar to: 1530772, 5762006, 5762007, 39320090, 39320092, ... 5 in total.
1530772
 
#100

BOC Sciences BB: 115-67-3
MicroSource Pharmakon: 01505456
MicroSource US Drugs: 01505456
ChEMBL DrugStore: CHEMBL1100
ChEMBL12: CHEMBL1100...32 total

ref: mol2, SDF, SMILES, flexibase
0.69,2.59,-5.88,0,4,0, 157.169, 1

Similar to: 5762006, 5762007, 39320090, 39320092, ... 5 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 = 482 ) limit 0,100

Smiles were