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3940470
 
#1

Molport: MolPort-016-633-239
AK Scientific: V2447
Amadis Chemical: A846576
Angene Building Blocks: AGN-PC-00PDPS
Anward: ANW-69609...64 total

ref: mol2, SDF, SMILES, flexibase
-0.54,-3.29,-15.9,3,7,0, 273.248, 1

Similar to: 3941656, 3988395, 3988396, 34030431, 34030432, ... 25 in total.
1997125
 
#2

Molport: MolPort-016-633-239
AK Scientific: V2447
Amadis Chemical: A846576
Angene Building Blocks: AGN-PC-00PDPS
Anward: ANW-69609...59 total

ref: mol2, SDF, SMILES, flexibase
-0.54,-3.54,-13.7,3,7,0, 273.248, 1

Similar to: 3940470, 3941656, 3988395, 3988396, 34030431, ... 25 in total.
38945666
 
#3

ChEMBL DrugStore: CHEMBL2105745
ChEMBL19: CHEMBL2105745
DrugBank-approved: DB08909
Individual Suppliers: UNNAMED00000719, DB08909
KEGG via PubChem: D10127...9 total

ref: mol2, SDF, SMILES, flexibase
6.74,22.23,-16.13,0,6,0, 530.661, 20
43207238
 
#4

Molport: MolPort-021-804-941
AK Scientific: Y0287
Ark Pharm Building Blocks: AK144283
Chembo Pharma: KB-271653, KB-75871
Fragmenta: GLU002...55 total

ref: mol2, SDF, SMILES, flexibase
3.92,2.92,-11.1,4,5,0, 444.524, 5
3992105
 
#5

Toronto Research Chemicals: F599510, F599512
BindingDB.org: 50354851
ChEBI: CHEBI:74899
ChEMBL DrugStore: CHEMBL1676
ChEMBL12: CHEMBL1676...33 total

ref: mol2, SDF, SMILES, flexibase
4.89,4.25,-22.44,1,6,0, 538.584, 6

Similar to: 38456252, 48465256, 48465259, 48465262, 48465264, ... 5 in total.
3919580
 
#6

Molport: MolPort-003-847-484
American Custom Chemicals Corp.: API0002756
Ark Pharm Building Blocks: AK115686
BePharm Building Blocks: B131503
Bide Pharmatech BB: BD131503...49 total

ref: mol2, SDF, SMILES, flexibase
2.73,7.07,-9.61,1,3,0, 302.414, 0

Similar to: 4533933, 8575883, 13783267, 13783268, 13783269, ... 19 in total.
34806477
 
#7

AK Scientific: W9480
AKOS: AKOS015851022
Angene Building Blocks: AGN-PC-0VSMAF
Anward: ANW-54164
BePharm Building Blocks: B165432...40 total

ref: mol2, SDF, SMILES, flexibase
4.03,11.17,-21.58,1,6,0, 464.444, 4
30691727
 
#8

ChemMol: 30117019
Molport: MolPort-035-395-763
APIChem: AC-23963
Ark Pharm Building Blocks: AK117203
BePharm Building Blocks: B112529...65 total

ref: mol2, SDF, SMILES, flexibase
0.59,14.06,-41.76,1,5,1, 484.663, 10
hi: mol2, SDF, SMILES, flexibase
0.59,14.78,-62.29,0,5,0, 483.655, 10

Similar to: 34365473, 34365474, 38408128, 38408129, 38475453, ... 9 in total.
30691722
 
#9

ChEMBL12: CHEMBL551466
DrugBank-approved: DB08897
KEGG via PubChem: D08837
KEGG-D via PubChem: D08837
PubChem: 42644080...36 total

ref: mol2, SDF, SMILES, flexibase
0.59,14.07,-40.24,1,5,1, 484.663, 10
hi: mol2, SDF, SMILES, flexibase
0.59,14.79,-56.95,0,5,0, 483.655, 10

Similar to: 30691727, 34365473, 34365474, 38408128, 38408129, ... 7 in total.
6745272
 
#10

ChemMol: 44032803
AK Scientific: SYN1169
American Custom Chemicals Corp.: HCH0035009
Angene Building Blocks: AGN-PC-0U7EL8
Apexmol Building Blocks: AM81251...75 total

ref: mol2, SDF, SMILES, flexibase
4.85,-0.55,-12.57,3,7,0, 482.821, 6

Similar to: 34608578,
49841054
 
#11

MedChem Express: HY-10455
BindingDB.org: 50277889
ChEBI: CHEBI:65347
ChEMBL DrugStore: CHEMBL451887
ChEMBL19: CHEMBL451887...13 total

ref: mol2, SDF, SMILES, flexibase
3.94,9.32,-14.74,4,12,0, 719.924, 20
lo: mol2, SDF, SMILES, flexibase
3.94,12.61,-46.9,5,12,1, 720.932, 20
3785276
 
#12

Anward: ANW-41676
Cayman Chemical: 10008884
Indofine: 30-2005-90
J&K Chemical: A01627155
MicroSource Pharmakon: 01300030...45 total

ref: mol2, SDF, SMILES, flexibase
6.08,15.63,-5.46,0,2,0, 330.512, 15

Similar to: 4533786, 11616611, 11616612, 11616613, 33838841, ... 11 in total.
43207851
 
#13

ChemMol: 30116790, 44035200, 97300878
Molport: MolPort-020-006-045
AK Scientific: W9658
American Custom Chemicals Corp.: KIN0000439
APIChem: AC-24280...88 total

ref: mol2, SDF, SMILES, flexibase
1.83,9.25,-17.45,1,6,0, 306.373, 4
14210457
 
#14

Toronto Research Chemicals: B674502, B674500
BindingDB.org: 12311
ChEBI: CHEBI:68621
ChEMBL DrugStore: CHEMBL218394
ChEMBL12: CHEMBL218394...44 total

ref: mol2, SDF, SMILES, flexibase
1.80,6.18,-13.07,5,10,0, 519.687, 10

Similar to: 40977023, 42922077, 42922079,
14210455
 
#15

Toronto Research Chemicals: B674500, B674502
BindingDB.org: 12311
ChEBI: CHEBI:68621
ChEMBL DrugStore: CHEMBL218394
ChEMBL12: CHEMBL1233448...58 total

ref: mol2, SDF, SMILES, flexibase
1.80,6.12,-12.14,5,10,0, 519.687, 10

Similar to: 40977023, 42922077, 42922079,
3881556
 
#16

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.
1554274
 
#17

ChemMol: 44009321
Molport: MolPort-035-395-271, MolPort-006-170-051
AK Scientific: W9902
AKOS: AKOS015901680
BioSynth: W-202888...71 total

ref: mol2, SDF, SMILES, flexibase
5.46,3.57,-12.57,2,6,0, 366.428, 5

Similar to: 1554278, 16291699, 33814580, 34636844, 35834096, ... 6 in total.
40899447
 
#18

ChemMol: 97300794
eMolecules: 32176457
AK Scientific: X4669
Anward: ANW-60962
Ark Pharm Building Blocks: AK-77261...49 total

ref: mol2, SDF, SMILES, flexibase
3.56,7.07,-22.4,1,5,0, 421.305, 4
6226
 
#19

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
52509463
 
#20

ChemMol: 44029099
Molport: MolPort-009-194-229
AK Scientific: X7565
Chembo Pharma: KB-81476
Excenen: EX-A441...42 total

ref: mol2, SDF, SMILES, flexibase
4.78,9.62,-15.78,3,5,0, 392.499, 4
13912394
 
#21

AK Scientific: X2642
Bosche Scientific: P6381
Cayman Chemical: 10005440
MedChem Express: HY-B0600
ChEBI: CHEBI:66899...22 total

ref: mol2, SDF, SMILES, flexibase
4.62,9.75,-11.2,2,5,0, 452.538, 13

Similar to: 34038796, 34358212, 34866811, 34866812, 34866813, ... 9 in total.
28957444
 
#22

Chembo Pharma: KB-61730
Ryan Scientific BB: 074-63028
Toronto Research Chemicals: T437702, T437700
BindingDB.org: 50397205
ChEBI: CHEBI:68558...37 total

ref: mol2, SDF, SMILES, flexibase
2.12,3.98,-20.91,4,10,0, 522.578, 10

Similar to: 34025527, 34025528, 34025530, 34025758, ... 6 in total.
3831552
 
#23

ChemMol: 30116785, 44029477
AK Scientific: X6663
APIChem: AC-24288
BioSynth: Q-201840
Sigma Aldrich (Building Blocks): T8200|SIGMA...44 total

ref: mol2, SDF, SMILES, flexibase
3.66,8.2,-14.87,0,6,0, 382.46, 6

Similar to: 34034022, 34034023, 34229482, 34229483, 34339418, ... 66 in total.
608106
 
#24

ChemMol: 30116785, 44029477
AK Scientific: X6663
American Custom Chemicals Corp.: API0008152
APIChem: AC-24288
BioSynth: Q-201840...39 total

ref: mol2, SDF, SMILES, flexibase
3.66,8.27,-14.96,0,6,0, 382.46, 6

Similar to: 3831552, 34034022, 34034023, 34229482, 34229483, ... 66 in total.
8214619
 
#25

Toronto Research Chemicals: N315020, N315022
ChEMBL DrugStore: CHEMBL1200946
ChEMBL12: CHEMBL1200946
ChEMBL19: CHEMBL1200946
Collaborative Drug Discovery: 470...31 total

ref: mol2, SDF, SMILES, flexibase
7.66,3.68,-10.9,0,3,0, 428.657, 10
57302
 
#26

Lab Seeker Building Blocks: SC-47886
Molport BB: MolPort-003-933-953
NCI Plated 2007: 683535
StruChem BB: SC-47886
Tetrahedron Building Blocks: TS73647...41 total

ref: mol2, SDF, SMILES, flexibase
0.81,-0.84,-18.84,3,6,0, 267.31, 2
mid: mol2, SDF, SMILES, flexibase
0.64,-1.63,-55.15,2,6,-1, 266.302, 3
lo: mol2, SDF, SMILES, flexibase
0.81,-0.98,-62.25,4,6,1, 268.318, 2
1300
 
#27

BioSynth: Q-200990
Chembo Pharma: KB-237263
MedChem Express: HY-B1147
MicroSource Pharmakon: 01505532
MicroSource US Drugs: 01505532...34 total

ref: mol2, SDF, SMILES, flexibase
3.33,3.01,-12.25,0,5,0, 328.151, 5
8437287
 
#28

Sigma Aldrich (Building Blocks): 03819|SIGMA
BMRB via PubChem: bmse000753
ChEMBL DrugStore: CHEMBL1201751
ChEMBL12: CHEMBL1201751
ChemDB: 6679964...29 total

ref: mol2, SDF, SMILES, flexibase
5.05,-0.93,-4.32,1,2,0, 230.392, 13
8214629
 
#29

BioSynth: Q-201490
MedChem Express: HY-B1027
MicroSource Pharmakon: 01505292
MicroSource US Drugs: 01505292
BindingDB.org: 50442874...31 total

ref: mol2, SDF, SMILES, flexibase
4.12,11.13,-18.22,1,10,0, 616.833, 35

Similar to: 14236032, 34371079, 38141475, 39298355, 39298356, ... 9 in total.
5162311
 
#30

ChemMol: 30113347, 44010598
Molport: MolPort-003-987-236
AK Scientific: X5012
AKOS: AKOS005146108
APIChem: AC-6949...48 total

ref: mol2, SDF, SMILES, flexibase
1.69,3.42,-12.55,4,4,0, 254.289, 4
5764759
 
#31

ChemMol: 44031937
American Custom Chemicals Corp.: API0009603
Sigma Aldrich (Building Blocks): SML0277|SIGMA
Tetrahedron Building Blocks: TS82083
Toronto Research Chemicals: M320350...62 total

ref: mol2, SDF, SMILES, flexibase
-2.63,-1.13,-52.08,2,5,1, 356.442, 2

Similar to: 7997318, 7997968, 13734635, 34223289, 38444319, ... 12 in total.
901555
 
#32

Acros Organics: 11530
Alfa-Aesar: L03953
Anward: ANW-33288
BioSynth: W-105317
Chembo Pharma: KB-164120...74 total

ref: mol2, SDF, SMILES, flexibase
0.31,-0.02,-4.26,1,1,0, 124.23, 2
hi: mol2, SDF, SMILES, flexibase
0.31,0.52,-43.59,1,1,-1, 123.222, 2
hi: mol2, SDF, SMILES, flexibase
0.31,0.5,-43.08,1,1,-1, 123.222, 2
hi: mol2, SDF, SMILES, flexibase
0.31,1.04,-121.85,1,1,-2, 122.214, 2
901552
 
#33

Acros Organics: 11530
Alfa-Aesar: L03953
Anward: ANW-33288
BioSynth: W-105317
Chembo Pharma: KB-164120...79 total

ref: mol2, SDF, SMILES, flexibase
0.31,-0.07,-2.95,1,1,0, 124.23, 2
hi: mol2, SDF, SMILES, flexibase
0.31,0.47,-38.82,1,1,-1, 123.222, 2
4212945
 
#34

AK Scientific: Q827
BioSynth: Q-101389
Bosche Scientific: D5669
Ryan Scientific: 048-04587
Ryan Scientific BB: 093-61884...60 total

ref: mol2, SDF, SMILES, flexibase
3.92,12.28,-21.69,1,7,0, 508.558, 8

Similar to: 31332153, 31332158, 31332163, 31332167, 34039001, ... 21 in total.
85536932
 
#35

ChEBI: CHEBI:63584
ChEMBL DrugStore: CHEMBL1201748
ChEMBL19: CHEMBL1201748
DrugBank-approved: DB06772
HMDB Drug: HMDB15672...9 total

ref: mol2, SDF, SMILES, flexibase
5.48,15.32,-16.36,3,15,0, 835.944, 15
hi: mol2, SDF, SMILES, flexibase
5.48,15.8,-51.92,2,15,-1, 834.936, 15
895302
 
#36

ChemMol: 98000450
eMolecules: 476491
L99A non-binders: BENZYL-ALCOHOL
Molport: MolPort-001-783-216
TCM Database @ Taiwan: 25683...629 total

ref: mol2, SDF, SMILES, flexibase
1.27,1.82,-4.35,1,1,0, 108.14, 1

Similar to: 6578890, 33799380,
3814394
 
#37

ChemMol: 30107683
Molport: MolPort-005-938-422
AK Scientific: H056
APIChem: AC-20038
Ark Pharm Building Blocks: AK161682...57 total

ref: mol2, SDF, SMILES, flexibase
3.54,8.56,-8.88,1,2,0, 310.437, 1

Similar to: 3920968, 11680514, 11680520, 11680522, 11680526, ... 26 in total.
34142548
 
#38

Collaborative Drug Discovery: 46733
DrugBank-approved: DB06713
PubChem: 13752005
Urine Metabolome: HMDB15658
ref: mol2, SDF, SMILES, flexibase
4.01,5.9,-7.73,2,3,0, 327.468, 1

Similar to: 3973186,
34142547
 
#39

Collaborative Drug Discovery: 46733
DrugBank-approved: DB06713
PubChem: 13752005
Urine Metabolome: HMDB15658
ref: mol2, SDF, SMILES, flexibase
4.01,6.12,-8.84,2,3,0, 327.468, 1

Similar to: 3973186,
3814422
 
#40

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
3831051
 
#41

Acros Organics: 10261, 22697
Alfa-Aesar: L06848
Anward: ANW-41597
Apollo Scientific Bioactives: BIA1090
BioSynth: A-1482...98 total

ref: mol2, SDF, SMILES, flexibase
-3.20,7.01,-33.25,0,3,1, 160.237, 4
3831050
 
#42

Acros Organics: 22697, 10261
Alfa-Aesar: L06848
Anward: ANW-41597
Apollo Scientific Bioactives: BIA1090
BioSynth: Q-200716...96 total

ref: mol2, SDF, SMILES, flexibase
-3.20,7.02,-33.28,0,3,1, 160.237, 4
14263142
 
#43

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.
11677837
 
#44

ChemMol: 44014773
Molport: MolPort-006-170-153
AK Scientific: X1060
AKOS: AKOS005146204
Amadis Chemical: A846413...59 total

ref: mol2, SDF, SMILES, flexibase
1.78,-1.89,-17.12,2,9,0, 459.506, 5

Similar to: 34356650, 34357033, 34357696, 34395535, 35825726, ... 19 in total.
5608
 
#45

ChemMol: 30109736, 44011552
eMolecules: 6843821
Molport: MolPort-006-170-152
AK Scientific: S035
AKOS: AKOS005145681...103 total

ref: mol2, SDF, SMILES, flexibase
2.46,-0.43,-12.34,1,3,0, 243.306, 4
13648755
 
#46

ChemMol: 30112395, 44014784
Molport: MolPort-021-783-241
AK Scientific: X1043, Z6172
American Custom Chemicals Corp.: API0007051
Apexmol Building Blocks: AM20090693...98 total

ref: mol2, SDF, SMILES, flexibase
0.84,2.91,-12.9,3,5,0, 315.417, 2

Similar to: 38207760, 38239351, 3964523,
84394807
 
#47

Molport: MolPort-029-944-565
Ark Pharm Building Blocks: AK161455
IBScreen Bioactives: Bio-0951
MedChem Express: HY-18252
Molport BB: MolPort-035-941-252...42 total

ref: mol2, SDF, SMILES, flexibase
1.31,7.05,-15.07,3,10,0, 483.96, 9
mid: mol2, SDF, SMILES, flexibase
1.31,7.47,-37.87,4,10,1, 484.968, 9
3964126
 
#48

ChemMol: 44027285, 30117066
Molport: MolPort-016-633-353
AKOS: AKOS005145918
Amadis Chemical: A848255
American Custom Chemicals Corp.: API0000815...75 total

ref: mol2, SDF, SMILES, flexibase
2.53,-3.62,-20.72,1,8,0, 435.889, 5

Similar to: 34341398, 34443959, 34875801, 34962176, 35920340, ... 8 in total.
7673
 
#49

ChemMol: 97900134, 96705824, 30115903, 44014989
Molport: MolPort-006-170-142
Active BioPharma: 223
AKOS: AKOS005146274
American Custom Chemicals Corp.: API0006320...73 total

ref: mol2, SDF, SMILES, flexibase
-0.07,-2.84,-9.35,2,5,0, 250.298, 6

Similar to: 29562604,
13818943
 
#50

Amadis Chemical: A848906
American Custom Chemicals Corp.: API0000807
Toronto Research Chemicals: R142802
BindingDB.org: 50119132, 50152084
ChEMBL DrugStore: CHEMBL317052...41 total

ref: mol2, SDF, SMILES, flexibase
-1.27,-3.31,-23.49,6,13,0, 390.36, 4
lo: mol2, SDF, SMILES, flexibase
-1.27,-2.93,-33.2,7,13,1, 391.368, 4
lo: mol2, SDF, SMILES, flexibase
-1.27,-7.78,-35.75,7,13,1, 391.368, 4

Similar to: 11617061, 11617062, 11617063, 11617064, ... 4 in total.
538658
 
#51

ChemMol: 30115905, 44013171
eMolecules: 30152716
Molport: MolPort-008-155-996, MolPort-006-170-139
AKOS: AKOS015994735
Angene Building Blocks: AGN-PC-0Q52OQ...69 total

ref: mol2, SDF, SMILES, flexibase
4.94,-0.59,-11.63,2,5,0, 448.95, 3

Similar to: 1490477,
35653009
 
#52

ChemMol: 30108475, 44011753, 30116991
eMolecules: 11312913
ACT Chemical BB: ACT06208
AK Scientific: W0064
AKOS: AKOS015841187...131 total

ref: mol2, SDF, SMILES, flexibase
3.61,11.25,-10.79,0,4,0, 373.449, 6

Similar to: 38477834, 38477835, 598561, 606884, 11682101, ... 5 in total.
35653007
 
#53

ChemMol: 30108475, 44011753, 30116991
eMolecules: 11312913
ACT Chemical BB: ACT06208
AK Scientific: W0064
AKOS: AKOS015841187...135 total

ref: mol2, SDF, SMILES, flexibase
3.61,11.7,-15.15,0,4,0, 373.449, 6

Similar to: 38477834, 38477835, 598561, 606884, 11682101, ... 5 in total.
7782
 
#54

ChemMol: 44007824, 97900688, 51502949, 30108589
eMolecules: 10488608
Molport: MolPort-005-942-441
Active BioPharma: 1473
AK Scientific: Q503...52 total

ref: mol2, SDF, SMILES, flexibase
0.74,1.5,-10.16,2,5,0, 238.197, 3
1540228
 
#55

ChemMol: 30104416, 2100014, 97900102, 30115222, 44003975
eMolecules: 2728948
Molport: MolPort-003-850-185, MolPort-005-973-080
Active BioPharma: 183
AK Scientific: H760...168 total

ref: mol2, SDF, SMILES, flexibase
5.22,12.29,-7.95,1,5,0, 463.796, 4

Similar to: 1545602, 13472873, 34663431, 35851090, 38270386, ... 8 in total.
3809191
 
#56

AK Scientific: X6144
Apexmol Building Blocks: AM84497
Ark Pharm Building Blocks: AK-92306
BePharm Building Blocks: B226820
BioSynth: W-201385...48 total

ref: mol2, SDF, SMILES, flexibase
5.13,3.14,-8.09,0,3,0, 391.555, 3

Similar to: 4172315, 44699051, 44699052, 44699053, 44830832, ... 8 in total.
5138063
 
#57

Apexmol Building Blocks: AM84497
Selleck Chemicals: S2246
Chembo Pharma (Depleted): KB-47026
DrugBank-approved: DB05812
Leadscope via PubChem: LS-182008...12 total

ref: mol2, SDF, SMILES, flexibase
5.13,13.72,-8.24,0,3,0, 391.555, 3
lo: mol2, SDF, SMILES, flexibase
5.13,14.02,-37.54,1,3,1, 392.563, 3

Similar to: 44699051, 44699052, 44699053, 44830832, 44830835, ... 8 in total.
5138064
 
#58

Apexmol Building Blocks: AM84497
BindingDB.org: 50031678
ChEMBL12: CHEMBL83976
ChEMBL12 10uM: CHEMBL83976
Chembo Pharma (Depleted): KB-47026...15 total

ref: mol2, SDF, SMILES, flexibase
5.13,13.93,-7.98,0,3,0, 391.555, 3
lo: mol2, SDF, SMILES, flexibase
5.13,14.22,-38.07,1,3,1, 392.563, 3

Similar to: 44699051, 44699052, 44699053, 44830832, 44830835, ... 8 in total.
5138062
 
#59

Apexmol Building Blocks: AM84497
BindingDB.org: 50031678
ChEMBL12: CHEMBL83976
ChEMBL12 10uM: CHEMBL83976
Chembo Pharma (Depleted): KB-47026...14 total

ref: mol2, SDF, SMILES, flexibase
5.13,13.26,-7.61,0,3,0, 391.555, 3
lo: mol2, SDF, SMILES, flexibase
5.13,13.55,-35.52,1,3,1, 392.563, 3

Similar to: 44699051, 44699052, 44699053, 44830832, 44830835, ... 8 in total.
3992480
 
#60

Excenen: EX-A006
Toronto Research Chemicals: T015650, T015652
BindingDB.org: 50326056
ChEBI: CHEBI:68595
ChEMBL DrugStore: CHEMBL231813...25 total

ref: mol2, SDF, SMILES, flexibase
2.76,8.42,-16.9,4,13,0, 679.863, 14
4234
 
#61

ChemMol: 44002622, 30102412
Molport: MolPort-003-848-127
AKOS: AKOS015895123
Anward: ANW-41585
APIChem: AC-1044...79 total

ref: mol2, SDF, SMILES, flexibase
3.35,8.15,-10.77,0,3,0, 230.311, 3
896703
 
#62

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
 
#63

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.
120319
 
#64

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.
16154
 
#65

ChemMol: 30105449, 44004607, 30111171, 44033866
Molport: MolPort-005-943-933, MolPort-003-850-148
AKOS: AKOS015895311
APIChem: AC-6908, AC-5274
Ark Pharm Building Blocks: AK-64365...76 total

ref: mol2, SDF, SMILES, flexibase
3.08,-2.41,-8.57,4,5,0, 303.337, 6

Similar to: 3987522, 34335777, 37018745, 37019124, 37092268, ... 8 in total.
1550766
 
#66

Selleck Chemicals: S4285
ChEBI: CHEBI:73275
ChEMBL DrugStore: CHEMBL2105395
ChEMBL19: CHEMBL2105395
ChemDB: 7636658...17 total

ref: mol2, SDF, SMILES, flexibase
5.40,0.19,-7.75,1,2,0, 378.899, 8

Similar to: 33753671, 33753672, 34230160, 34340510, 34391188, ... 11 in total.
1850376
 
#67

Molport: MolPort-003-933-021
TCM Database @ Taiwan: 27804
Bosche Scientific: P2643
Element Store BB: b2star-61949-77-7, b2star-52645-53-1, b2star-61949-76-6
KeyOrganics Bioactives: KS-5079...116 total

ref: mol2, SDF, SMILES, flexibase
6.61,13.77,-6.72,0,3,0, 391.294, 7

Similar to: 5353971, 5759686, 5759951, 5761075, 5761320, ... 40 in total.
1850374
 
#68

Molport: MolPort-003-933-021
Bosche Scientific: P2643
Element Store BB: b2star-52645-53-1, b2star-61949-76-6, b2star-61949-77-7
KeyOrganics Bioactives: KS-5079
Mcule: MCULE-1256227237...108 total

ref: mol2, SDF, SMILES, flexibase
6.61,13.83,-7.48,0,3,0, 391.294, 7

Similar to: 5353971, 5758547, 5758872, 5759143, 5759175, ... 56 in total.
2032615
 
#69

Molport: MolPort-003-933-021
Bosche Scientific: P2643
Element Store BB: b2star-61949-76-6, b2star-61949-77-7, b2star-52645-53-1
KeyOrganics Bioactives: KS-5079
Mcule: MCULE-1256227237...114 total

ref: mol2, SDF, SMILES, flexibase
6.61,13.84,-7.06,0,3,0, 391.294, 7

Similar to: 5353971, 5758547, 5758872, 5759143, 5759175, ... 52 in total.
1850377
 
#70

Molport: MolPort-003-933-021
Bosche Scientific: P2643
Element Store BB: b2star-61949-76-6, b2star-61949-77-7, b2star-52645-53-1
KeyOrganics Bioactives: KS-5079
Mcule: MCULE-1256227237...111 total

ref: mol2, SDF, SMILES, flexibase
6.61,13.77,-6.43,0,3,0, 391.294, 7

Similar to: 5353971, 5759686, 5759951, 5761075, 5761320, ... 40 in total.
30691763
 
#71

ChemMol: 30116712
eMolecules: 30152688
Molport: MolPort-020-006-047
AK Scientific: Z1845
APIChem: AC-24370...43 total

ref: mol2, SDF, SMILES, flexibase
5.40,12.05,-15.44,1,7,0, 456.322, 10

Similar to: 34426536, 34426537, 34426539, 34426540, 40740979, ... 9 in total.
30691760
 
#72

ChemMol: 30116712
eMolecules: 30152688
Molport: MolPort-020-006-047
AK Scientific: Z1845
APIChem: AC-24370...39 total

ref: mol2, SDF, SMILES, flexibase
5.40,12.6,-20.39,1,7,0, 456.322, 10

Similar to: 30691763, 34426536, 34426537, 40740979, 40740981, ... 7 in total.
9225358
 
#73

ChemMol: 30109735
AK Scientific: K360
AKOS: AKOS005145769
Amadis Chemical: A848234
APIChem: AC-3396...40 total

ref: mol2, SDF, SMILES, flexibase
1.92,4.69,-9.2,2,4,0, 248.307, 3

Similar to: 29249984,
6716957
 
#74

BioSynth: Q-101348
Cayman Chemical: 10010422
KeyOrganics Bioactives: CF-0252
Toronto Research Chemicals: N465300, N465302
BindingDB.org: 50237710...93 total

ref: mol2, SDF, SMILES, flexibase
4.99,2.61,-18.18,2,8,0, 529.526, 7

Similar to: 34964890,
43450326
 
#75

ChemDB: 3966935
Collaborative Drug Discovery: 47113
DrugBank-approved: DB04865
Herbal Ingredients Targets: C0278
IBM Patent Data: 136077589...11 total

ref: mol2, SDF, SMILES, flexibase
1.96,5.48,-14.85,2,10,0, 545.629, 11

Similar to: 44405248, 44699248, 59817095, 59817101, ... 13 in total.
43450324
 
#76

ChemDB: 3966935
Collaborative Drug Discovery: 47113
DrugBank-approved: DB04865
Herbal Ingredients Targets: C0278
IBM Patent Data: 136077589...14 total

ref: mol2, SDF, SMILES, flexibase
1.96,5.62,-13.54,2,10,0, 545.629, 11

Similar to: 43450326, 44405248, 44699248, 59817095, 59817101, ... 21 in total.
52245489
 
#77

DrugBank-approved: DB04845
HMDB Drug: HMDB15593
Human Metabolome Database: HMDB15593
Individual Suppliers: DB04845, UNNAMED00000532
PubChem: 56654798...11 total

ref: mol2, SDF, SMILES, flexibase
3.25,5.62,-12.53,3,7,0, 506.709, 2

Similar to: 59242133, 60261974, 60261978,
3813083
 
#78

ChemMol: 30105043
AK Scientific: 1988AC
APIChem: AC-15989
Ark Pharm Building Blocks: AK116470
BePharm Building Blocks: B137418...81 total

ref: mol2, SDF, SMILES, flexibase
-1.39,11.7,-36.15,1,4,1, 340.443, 5

Similar to: 449,
449
 
#79

ChemMol: 30105043
AK Scientific: 1988AC
American Custom Chemicals Corp.: API0009597
APIChem: AC-15989
Ark Pharm Building Blocks: AK116470...76 total

ref: mol2, SDF, SMILES, flexibase
-1.39,11.7,-35.52,1,4,1, 340.443, 5

Similar to: 390424, 390426, 390428, 390430, 601314, ... 8 in total.
12504523
 
#80

AK Scientific: H047
Tetrahedron Building Blocks: TS67003
Toronto Research Chemicals: C989090, C989092
ChEBI: CHEBI:50742
ChEMBL12: CHEMBL1744483...36 total

ref: mol2, SDF, SMILES, flexibase
3.74,8.47,-12.57,1,3,0, 374.908, 1

Similar to: 15848234, 15848235, 15848236, 15848237, ... 13 in total.
3830612
 
#81

Aldrich CPR: R288837|ALDRICH
Bosche Scientific: C5653
KeyOrganics Bioactives: KS-5317
MedChem Express: HY-B1170
MicroSource Pharmakon: 01505082...43 total

ref: mol2, SDF, SMILES, flexibase
3.55,1.15,-5.59,1,3,0, 276.376, 4

Similar to: 6523819, 6523820, 6523824, 6523825, 8551997, ... 23 in total.
189
 
#82

Aldrich CPR: R288837|ALDRICH
Bosche Scientific: C5653
KeyOrganics Bioactives: KS-5317
MedChem Express: HY-B1170
MicroSource Pharmakon: 01505082...49 total

ref: mol2, SDF, SMILES, flexibase
3.55,8.61,-5.61,1,3,0, 276.376, 4

Similar to: 405331, 968262, 3830611, 3830612, 8551997, ... 7 in total.
968262
 
#83

Aldrich CPR: R288837|ALDRICH
Bosche Scientific: C5653
KeyOrganics Bioactives: KS-5317
MedChem Express: HY-B1170
MicroSource Pharmakon: 01505082...43 total

ref: mol2, SDF, SMILES, flexibase
3.55,1.35,-5.11,1,3,0, 276.376, 4

Similar to: 1319459, 6523819, 6523820, 6523824, 6523825, ... 15 in total.
3830611
 
#84

Aldrich CPR: R288837|ALDRICH
Bosche Scientific: C5653
KeyOrganics Bioactives: KS-5317
MedChem Express: HY-B1170
MicroSource Pharmakon: 01505082...43 total

ref: mol2, SDF, SMILES, flexibase
3.55,1.16,-5.58,1,3,0, 276.376, 4

Similar to: 6523819, 6523820, 6523824, 6523825, 8551997, ... 23 in total.
3875993
 
#85

AK Scientific: H076
American Custom Chemicals Corp.: CHM0077830
BioSynth: W-108053
Bosche Scientific: Q5599
Combi-Blocks: QA-8253...44 total

ref: mol2, SDF, SMILES, flexibase
5.60,10.92,-5.25,1,2,0, 364.529, 2

Similar to: 4544370, 11592751, 11592752, 11592753, 31541631, ... 8 in total.
3815418
 
#86

eMolecules: 26404990
Molport: MolPort-002-512-277, MolPort-030-084-234
American Custom Chemicals Corp.: CHM0017590
BioSynth: Q-201072
Bosche Scientific: E4111...160 total

ref: mol2, SDF, SMILES, flexibase
2.51,1.56,-6.31,3,3,0, 288.387, 0

Similar to: 3881360, 3977996, 3977997, 3977998, 4213126, ... 14 in total.
1530867
 
#87

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,
2226
 
#88

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
5133329
 
#89

CCP W191G binders: MFCD00002143
Molport: MolPort-000-871-946
TCM Database @ Taiwan: tcm03_006770, 26335
Acros Organics: 32711, 22175, 32712, 14934, 32710, 38861, 18078
AK Scientific: W3042...2578 total

ref: mol2, SDF, SMILES, flexibase
1.46,1.63,-3.7,1,1,0, 94.113, 0
1543873
 
#90

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,
3921872
 
#91

ChemMol: 30111606, 97900692, 30113627
Active BioPharma: 1479
AK Scientific: O763
APIChem: AC-8064, AC-4696
BioSynth: Q-200778...99 total

ref: mol2, SDF, SMILES, flexibase
4.59,7.65,-4.99,3,3,0, 412.614, 5

Similar to: 3936584, 3939042, 4212295, 4654793, 5734624, ... 31 in total.
592419
 
#92

ChemMol: 44029463, 30116514
AK Scientific: X4421
AKOS: AKOS005146309
APIChem: AC-23383
Ark Pharm Building Blocks: AK110425...69 total

ref: mol2, SDF, SMILES, flexibase
4.26,8.04,-10.47,1,5,0, 403.212, 7

Similar to: 3982525, 3982528, 38268323,
579472
 
#93

ChemMol: 44014461
AK Scientific: V1697
Amadis Chemical: A848896
Ark Pharm Building Blocks: AK115816
BePharm Building Blocks: B129880...91 total

ref: mol2, SDF, SMILES, flexibase
3.01,6.23,-12.54,0,4,0, 358.85, 3

Similar to: 34043211, 34044138, 34044139, 34228889, 34339232, ... 9 in total.
1530668
 
#94

Element Store BB: b2star-71-81-8
Labotest: LT00772055
Labotest Building Blocks: LT00772055
MicroSource Pharmakon: 01500356
MicroSource US Drugs: 01500356...74 total

ref: mol2, SDF, SMILES, flexibase
0.11,10,-37.7,2,3,1, 353.53, 8

Similar to: 1707020, 1718667,
22002218
 
#95

ChemMol: 97900077, 30113273, 30116015, 44007154
Active BioPharma: 143
AK Scientific: V1985
Amadis Chemical: A849952
APIChem: AC-7052...115 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.69,-11.35,1,4,0, 276.38, 3
mid: mol2, SDF, SMILES, flexibase
2.12,6.82,-50.27,1,4,1, 277.388, 3

Similar to: 32155743, 34590920, 34590922, 34590924, 34590926, ... 51 in total.
22002214
 
#96

ChemMol: 97900077, 30113273, 30116015, 44007154
Active BioPharma: 143
AK Scientific: V1985
Amadis Chemical: A849952
APIChem: AC-22611...111 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.69,-11.34,1,4,0, 276.38, 3
mid: mol2, SDF, SMILES, flexibase
2.12,7.04,-48.98,1,4,1, 277.388, 3

Similar to: 32155743, 34590920, 34590922, 34590924, 34590926, ... 51 in total.
20230701
 
#97

eMolecules: 975978
Molport: MolPort-001-783-773
AKOS: AKOS015853631
Aldrich CPR: CDS000385|ALDRICH
Angene Building Blocks: AGN-PC-0JK9DW...33 total

ref: mol2, SDF, SMILES, flexibase
2.04,4.64,-2.6,0,3,0, 117.148, 5
34967244
 
#98

American Custom Chemicals Corp.: CCH0003260, API0009882
BOC Sciences BB: 26309-95-5
Element Store BB: b2star-33817-20-8
Prestwick Chemical: Prestw-1009
Tetrahedron Building Blocks: TS72124...75 total

ref: mol2, SDF, SMILES, flexibase
2.75,5.88,-16.42,3,9,0, 463.556, 9
lo: mol2, SDF, SMILES, flexibase
2.94,3.54,-61.42,4,9,1, 464.564, 9
lo: mol2, SDF, SMILES, flexibase
2.94,3.2,-67.62,4,9,1, 464.564, 9

Similar to: 34967245, 36386992, 34967242, 34967243, 4102189, ... 5 in total.
36378575
 
#99

American Custom Chemicals Corp.: API0009111, API0000413
Ark Pharm Building Blocks: AK129722
FineTech: FT-0602883
MedChem Express: HY-B1149, HY-B1149A
Prestwick Chemical: Prestw-416...76 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.5,-16.35,3,10,0, 465.528, 10

Similar to: 1531001, 1999399, 3871629, 3871630, 3871631, ... 9 in total.
36378574
 
#100

American Custom Chemicals Corp.: API0009111, API0000413
Ark Pharm Building Blocks: AK129722
FineTech: FT-0602883
MedChem Express: HY-B1149A, HY-B1149
Prestwick Chemical: Prestw-416...82 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.49,-16.35,3,10,0, 465.528, 10

Similar to: 1531001, 1999399, 3871629, 3871630, 3871631, ... 9 in total.

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 = 217 ) limit 0,100

Smiles were