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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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15839430
 
#1

AK Scientific: X6686
Aldrich CPR: CVT00049|ALDRICH
Alfa-Aesar: B20199
American Custom Chemicals Corp.: CHM0030555
Anward: ANW-65662...39 total

ref: mol2, SDF, SMILES, flexibase
0.96,2.46,-6.62,1,3,0, 129.159, 3
ref: mol2, SDF, SMILES, flexibase
0.96,2.26,-6.55,1,3,0, 129.159, 3
98177422
 
#2

AZEPINE: AZ0001-0555
SureChEMBL: SCHEMBL15466671, SCHEMBL15466668
ref: mol2, SDF, SMILES, flexibase
1.19,1.11,-2.81,1,2,0, 154.209, 0
98177421
 
#3

AZEPINE: AZ0001-0549
ref: mol2, SDF, SMILES, flexibase
5.90,10.14,-1.66,0,0,0, 503.898, 0
98177420
 
#4

AZEPINE: AZ0001-0548
ref: mol2, SDF, SMILES, flexibase
5.01,9.06,-0.57,0,0,0, 281.237, 1
98177419
 
#5

AZEPINE: AZ0001-0546
ref: mol2, SDF, SMILES, flexibase
1.87,4.6,-10.61,2,4,0, 302.418, 2
98177418
 
#6

AZEPINE: AZ0001-0544
SureChEMBL: SCHEMBL12161132
ref: mol2, SDF, SMILES, flexibase
2.32,1.6,-3.66,2,2,0, 220.312, 0
39374282
 
#7

AZEPINE: AZ0001-0543
ref: mol2, SDF, SMILES, flexibase
3.33,9.28,-7.06,0,4,0, 304.386, 4

Similar to: 3882861, 4031846,
39374280
 
#8

AZEPINE: AZ0001-0542
ref: mol2, SDF, SMILES, flexibase
2.10,9.04,-94.36,0,4,-2, 274.316, 2
lo: mol2, SDF, SMILES, flexibase
2.10,7.08,-50.86,1,4,-1, 275.324, 2

Similar to: 107439, 107451, 122653, 134944, 136264, ... 9 in total.
98177417
 
#9

AZEPINE: AZ0001-0541
SureChEMBL: SCHEMBL12161088
ref: mol2, SDF, SMILES, flexibase
5.05,9.4,-1.12,0,0,0, 346.106, 0
39374279
 
#10

AZEPINE: AZ0001-0540
SureChEMBL: SCHEMBL14582972
ref: mol2, SDF, SMILES, flexibase
2.46,8.69,-96.37,0,4,-2, 274.316, 2
lo: mol2, SDF, SMILES, flexibase
2.46,6.73,-50.47,1,4,-1, 275.324, 2

Similar to: 333455, 15774644,
98177416
 
#11

AZEPINE: AZ0001-0538
ref: mol2, SDF, SMILES, flexibase
2.68,1.89,-3.28,2,2,0, 220.312, 0
98177415
 
#12

AZEPINE: AZ0001-0537
ref: mol2, SDF, SMILES, flexibase
2.00,6.44,-6.98,0,2,0, 216.28, 0
98177414
 
#13

AZEPINE: AZ0001-0534
ref: mol2, SDF, SMILES, flexibase
5.27,9.05,-0.57,0,0,0, 314.21, 0
98177413
 
#14

AZEPINE: AZ0001-0533
SureChEMBL: SCHEMBL14287481
ref: mol2, SDF, SMILES, flexibase
5.00,8.66,-0.74,0,0,0, 267.21, 0
98177412
 
#15

AZEPINE: AZ0001-0532
ref: mol2, SDF, SMILES, flexibase
4.86,8.59,-0.99,0,0,0, 222.759, 0
98177411
 
#16

AZEPINE: AZ0001-0529
ref: mol2, SDF, SMILES, flexibase
3.46,5.57,-2.06,1,1,0, 218.34, 1
98177410
 
#17

AZEPINE: AZ0001-0528
ref: mol2, SDF, SMILES, flexibase
5.09,9.31,-0.22,0,0,0, 314.21, 0
98177409
 
#18

AZEPINE: AZ0001-0527
SureChEMBL: SCHEMBL14287475
ref: mol2, SDF, SMILES, flexibase
4.81,8.84,-0.52,0,0,0, 267.21, 0
39262525
 
#19

AZEPINE: AZ0001-0523
ref: mol2, SDF, SMILES, flexibase
3.34,6.15,-1.58,0,1,0, 190.286, 0

Similar to: 16956199, 16956200, 16956201, 16956203, ... 4 in total.
98177408
 
#20

AZEPINE: AZ0001-0519
SureChEMBL: SCHEMBL13506928
ref: mol2, SDF, SMILES, flexibase
2.16,4.03,-5.66,1,2,0, 218.296, 0
98177407
 
#21

AZEPINE: AZ0001-0518
ref: mol2, SDF, SMILES, flexibase
4.02,6.5,-3.55,0,1,0, 216.324, 0
98177406
 
#22

AZEPINE: AZ0001-0517
ref: mol2, SDF, SMILES, flexibase
4.56,9.22,-5.44,0,0,0, 232.392, 0
98177405
 
#23

AZEPINE: AZ0001-0516
ref: mol2, SDF, SMILES, flexibase
4.55,8.78,-3.35,0,0,0, 218.365, 0
5133298
 
#24

AZEPINE: AZ0001-0515
ref: mol2, SDF, SMILES, flexibase
3.29,7.36,-4.62,0,1,0, 202.297, 0
98177404
 
#25

AZEPINE: AZ0001-0514
ref: mol2, SDF, SMILES, flexibase
3.82,8.38,-4.96,0,1,0, 230.351, 1
98177403
 
#26

AZEPINE: AZ0001-0513
ref: mol2, SDF, SMILES, flexibase
3.63,8.51,-5.09,0,1,0, 230.351, 1
98177402
 
#27

AZEPINE: AZ0001-0512
ref: mol2, SDF, SMILES, flexibase
3.60,9.19,-46.42,0,2,-1, 245.342, 2
lo: mol2, SDF, SMILES, flexibase
3.60,7.21,-4.36,1,2,0, 246.35, 2
39374278
 
#28

AZEPINE: AZ0001-0511
SureChEMBL: SCHEMBL13990975
ref: mol2, SDF, SMILES, flexibase
3.33,8.66,-50.61,0,2,-1, 231.315, 1
lo: mol2, SDF, SMILES, flexibase
3.33,6.71,-4.12,1,2,0, 232.323, 1

Similar to: 107439, 107451, 122653, 134944, 136264, ... 9 in total.
39259253
 
#29

AZEPINE: AZ0001-0510
SureChEMBL: SCHEMBL13506913
ref: mol2, SDF, SMILES, flexibase
3.52,8.49,-55.17,0,2,-1, 231.315, 1
lo: mol2, SDF, SMILES, flexibase
3.52,6.53,-4.35,1,2,0, 232.323, 1

Similar to: 333455, 15774644,
98177401
 
#30

AZEPINE: AZ0001-0508
ref: mol2, SDF, SMILES, flexibase
3.79,8.93,-48.34,0,2,-1, 245.342, 2
lo: mol2, SDF, SMILES, flexibase
3.79,6.95,-4.07,1,2,0, 246.35, 2
98177400
 
#31

AZEPINE: AZ0001-0507
ref: mol2, SDF, SMILES, flexibase
2.84,6.06,-6.1,1,3,0, 276.376, 3
38340849
 
#32

AZEPINE: AZ0001-0493
SureChEMBL: SCHEMBL1668498, SCHEMBL2241002
ref: mol2, SDF, SMILES, flexibase
2.11,4.49,-4.08,1,1,0, 151.234, 2
14136160
 
#33

eMolecules: 207014076
Scientific Exchange (make on demand): M-694761
Acros Organics: RH01075
AK Scientific: Y9382, HTS000656
AKOS: AKOS000168316...67 total

ref: mol2, SDF, SMILES, flexibase
0.31,0.47,-7.44,3,4,0, 166.18, 2
ref: mol2, SDF, SMILES, flexibase
0.44,0.52,-31.42,4,4,1, 167.188, 3
ref: mol2, SDF, SMILES, flexibase
0.31,0.68,-6.84,3,4,0, 166.18, 2
mid: mol2, SDF, SMILES, flexibase
0.44,1.63,-20.53,3,4,0, 166.18, 3
lo: mol2, SDF, SMILES, flexibase
0.31,0.52,-31.44,4,4,1, 167.188, 2
lo: mol2, SDF, SMILES, flexibase
0.31,0.42,-33.96,4,4,1, 167.188, 2

Similar to: 4818763,
96061905
 
#34

eMolecules: 511707
Apexmol Building Blocks: AM20040846
Ark Pharm Building Blocks: AK142123
AZEPINE: AZ0001-0392
Boerchem Pharmatech BB: BC207649...32 total

ref: mol2, SDF, SMILES, flexibase
1.35,4.94,-6.85,0,2,0, 147.177, 0
95351671
 
#35

eMolecules: 840819, 643414
AK Scientific: 7158AC
Aldrich CPR: R523968|ALDRICH
Alinda: IBS-B0012871
Alinda Building Blocks: ALBB-012871...48 total

95351670
 
#36

eMolecules: 840819, 643414
AK Scientific: 7158AC
Aldrich CPR: R523968|ALDRICH
Alinda: IBS-B0012871
Alinda Building Blocks: ALBB-012871...48 total

98177399
 
#37

AZEPINE: AZ0001-0292
ref: mol2, SDF, SMILES, flexibase
3.17,9.35,-8.77,0,2,0, 208.264, 2
lo: mol2, SDF, SMILES, flexibase
3.17,9.82,-29.57,1,2,1, 209.272, 2
98177398
 
#38

AZEPINE: AZ0001-0266
SureChEMBL: SCHEMBL8435450, SCHEMBL8435445
ref: mol2, SDF, SMILES, flexibase
1.39,2.91,-6.22,1,2,0, 143.23, 2
33835553
 
#39

AZEPINE: AZ0001-0169
SureChEMBL: SCHEMBL3307691
ref: mol2, SDF, SMILES, flexibase
2.49,6.07,-27.9,1,1,1, 142.266, 3

Similar to: 41362192,
39151426
 
#40

AZEPINE: AZ0001-0110
SureChEMBL: SCHEMBL6887590
ref: mol2, SDF, SMILES, flexibase
3.96,9.27,-2.84,0,2,0, 244.382, 2
mid: mol2, SDF, SMILES, flexibase
3.96,9.89,-27.66,1,2,1, 245.39, 2
98177397
 
#41

AZEPINE: AZ0001-0062
ref: mol2, SDF, SMILES, flexibase
2.08,6.2,-14.31,2,4,0, 276.361, 4
98177396
 
#42

AZEPINE: AZ0001-0062
ref: mol2, SDF, SMILES, flexibase
2.08,6.42,-14.78,2,4,0, 276.361, 4
98177395
 
#43

AZEPINE: AZ0001-0039
ref: mol2, SDF, SMILES, flexibase
1.07,-0.11,-12.33,2,5,0, 287.381, 7
98177394
 
#44

AZEPINE: AZ0001-0039
ref: mol2, SDF, SMILES, flexibase
1.07,0.65,-11.54,2,5,0, 287.381, 7
38086190
 
#45

AZEPINE: AZ0001-0036
UORSY BB Make-on-demand: BBV-32334761
ref: mol2, SDF, SMILES, flexibase
3.57,9.7,-37.89,1,2,1, 229.347, 2
mid: mol2, SDF, SMILES, flexibase
3.57,8.07,-4.46,0,2,0, 228.339, 2
38086189
 
#46

AZEPINE: AZ0001-0036
UORSY BB Make-on-demand: BBV-32334761
ref: mol2, SDF, SMILES, flexibase
3.57,9.79,-37.57,1,2,1, 229.347, 2
mid: mol2, SDF, SMILES, flexibase
3.57,8.02,-4.8,0,2,0, 228.339, 2
1688945
 
#47

eMolecules: 984022, 4394751, 4395792
Molport: MolPort-001-027-187
Scientific Exchange (make on demand): X-011610
AK Scientific: 5675AE
AKOS: AKOS000263944...53 total

ref: mol2, SDF, SMILES, flexibase
-2.28,0.62,-56.23,0,5,-1, 156.117, 2

Similar to: 36975134, 38459568,
6091129
 
#48

Ark Pharm Building Blocks: AK136190
AZEPINE: AZ0001-0599
Chembo Pharma: KB-220866
ChemDB: 7607597
IBM Patent Data: 135850892...10 total

ref: mol2, SDF, SMILES, flexibase
2.60,9.01,-48.93,0,6,-1, 352.725, 4

Similar to: 8376343, 1532105,
33967579
 
#49

AK Scientific: 0022AC
Angene Building Blocks: AGN-PC-0TGL9I
Anward: ANW-62711
Ark Pharm Building Blocks: AK101747
AZEPINE: AZ0001-0592...20 total

ref: mol2, SDF, SMILES, flexibase
1.96,3.66,-48.47,5,5,1, 298.794, 4

Similar to: 34545267, 39032852,
26505561
 
#50

eMolecules: 48597859
Molport: MolPort-028-761-167
AZEPINE: AZ0001-0586
Enamine Building Blocks: EN300-140577, EN300-134159
ChEMBL12: CHEMBL1192782...15 total

ref: mol2, SDF, SMILES, flexibase
0.93,3.64,-55.21,3,3,1, 186.275, 4

Similar to: 34574771, 34840533, 34840536,
1420839
 
#51

eMolecules: 722114, 31238612
Molport: MolPort-000-004-582, MolPort-002-344-389
Acros Organics: RF02291
AK Scientific: Z1643, HTS001795
AKOS: AKOS000188283...82 total

ref: mol2, SDF, SMILES, flexibase
0.52,0.56,-28.73,4,2,1, 87.146, 1

Similar to: 162996,
4072644
 
#52

Acros Organics: 43889
AK Scientific: Y5114
Aldrich CPR: CDS019297|ALDRICH
Anward: ANW-44967, ANW-52468
Apexmol Building Blocks: AM803217...51 total

ref: mol2, SDF, SMILES, flexibase
0.85,1.19,-52.62,3,2,1, 143.597, 1
hi: mol2, SDF, SMILES, flexibase
4.24,10.06,-12.09,1,6,0, 408.498, 9
4200683
 
#53

eMolecules: 725546
Acros Organics: CC35801
AK Scientific: W4861
Aldrich CPR: CDS016063|ALDRICH
Angene Building Blocks: AGN-PC-0LWSEK...30 total

ref: mol2, SDF, SMILES, flexibase
2.03,-0.38,-54.98,0,4,-1, 188.162, 2
389560
 
#54

ChemMol: 97603057, 44020501
Molport: MolPort-002-499-443
American Custom Chemicals Corp.: CHM0032444
AZEPINE: AZ0001-0570
Enamine Building Blocks: EN300-78603...34 total

ref: mol2, SDF, SMILES, flexibase
2.07,5.71,-46.38,0,2,-1, 155.217, 2
lo: mol2, SDF, SMILES, flexibase
2.07,4.59,-6.31,1,2,0, 156.225, 2

Similar to: 6660884, 26169294, 34463360,
2389932
 
#55

ChemMol: 44029196, 30116242, 44035313, 44027154, 44022019
eMolecules: 884038, 36378223
Molport: MolPort-002-345-635
Acros Organics: CD05159
AK Scientific: 4648AC...111 total

ref: mol2, SDF, SMILES, flexibase
-0.97,0.63,-36.35,4,3,1, 122.151, 1
lo: mol2, SDF, SMILES, flexibase
-0.97,0.91,-93.81,5,3,2, 123.159, 1
379054
 
#56

AK Scientific: X8782, 4378AD
Aldrich CPR: CBR01612|ALDRICH, CDS000957|ALDRICH
Alfa-Aesar: L19292
Angene Building Blocks: AGN-PC-0JTE71
Anward: ANW-49981...58 total

ref: mol2, SDF, SMILES, flexibase
1.61,5.3,-49.31,0,2,-1, 145.137, 1

Similar to: 34364949,
62699
 
#57

ChemMol: 44025112, 83603250
eMolecules: 836478
Acorn PharmaTech: ACN-S001660
AK Scientific: W4112
AKOS: AKOS000295878...76 total

ref: mol2, SDF, SMILES, flexibase
0.99,3.05,-51.39,0,3,-1, 125.103, 1

Similar to: 39278972,
16123626
 
#58

AK Scientific: Y5826
Aldrich CPR: BBO000695|ALDRICH, CDS007316|ALDRICH
Anward: ANW-68711
Ark Pharm Building Blocks: AK-68195
AZEPINE: AZ0001-0560...26 total

ref: mol2, SDF, SMILES, flexibase
2.28,5.11,-44.6,0,3,-1, 251.059, 1

Similar to: 34531239,
12366795
 
#59

ChemMol: 44027546
eMolecules: 592359
Enolase via KEGG (EFI): C03510_4
Molport: MolPort-002-042-277
Scientific Exchange (make on demand): F-393882...85 total

ref: mol2, SDF, SMILES, flexibase
-3.04,-2.16,-48.28,4,5,0, 180.229, 4

Similar to: 38584474, 38584478, 1529679,
1529679
 
#60

ChemMol: 44027546
eMolecules: 592359
Enolase via KEGG (EFI): C03510_3
Molport: MolPort-002-042-277
Scientific Exchange (make on demand): F-393882...82 total

ref: mol2, SDF, SMILES, flexibase
-3.04,-2.16,-54.91,4,5,0, 180.229, 4

Similar to: 2039031, 5821701, 5822021, 12366795, 12366796, ... 7 in total.
2522750
 
#61

Anward: ANW-28300
AZEPINE: AZ0001-0558
Chembo Pharma: KB-58902
TCI: T1260
Tetrahedron Building Blocks: TS10845...18 total

ref: mol2, SDF, SMILES, flexibase
-0.81,1.72,-44.6,1,4,-1, 156.161, 3
12480236
 
#62

ChemMol: 97800827, 44022859, 97802781
AK Scientific: X4771
AKOS: AKOS015903804
Angene Building Blocks: AGN-PC-0BVY41
Anward: ANW-31310...77 total

ref: mol2, SDF, SMILES, flexibase
0.46,2.13,-32.59,2,1,1, 72.131, 1
3096570
 
#63

ChemMol: 44000669, 30109242
eMolecules: 499455
Scientific Exchange (make on demand): X-052127
Acorn PharmaTech: ACN-S004310
AKOS: AKOS000569192...80 total

ref: mol2, SDF, SMILES, flexibase
1.26,5.64,-115.27,0,4,-2, 222.24, 2

Similar to: 4010655, 32267223,
12402582
 
#64

ChemMol: 30104429, 44003994, 96708392
eMolecules: 2349576, 592349, 902095
Molport: MolPort-003-666-358, MolPort-002-145-743, MolPort-023-278-009
Scientific Exchange (make on demand): T-000438
Acros Organics: 29808...221 total

ref: mol2, SDF, SMILES, flexibase
2.77,4.76,-42.23,3,1,1, 180.315, 0

Similar to: 968256, 1515191, 3138829, 3812933, 4076224, ... 9 in total.
107448
 
#65

ChemMol: 96707952
eMolecules: 206844300
AK Scientific: Y7724
AKOS: AKOS001023985
Aldrich CPR: CDS015012|ALDRICH...47 total

ref: mol2, SDF, SMILES, flexibase
3.04,0.64,-46.65,0,2,-1, 207.293, 3
1656725
 
#66

AZEPINE: AZ0001-0545
ChEMBL19: CHEMBL1974844
PubChem: 397912
ref: mol2, SDF, SMILES, flexibase
2.40,2.54,-89.86,6,2,2, 220.36, 0
31904915
 
#67

AZEPINE: AZ0001-0539
ChEMBL19: CHEMBL1983164
PubChem: 397911, 10242517
ref: mol2, SDF, SMILES, flexibase
2.77,2.89,-93.42,6,2,2, 220.36, 0

Similar to: 333468, 15848197,
34615817
 
#68

AZEPINE: AZ0001-0531
PubChem: 15635897
ref: mol2, SDF, SMILES, flexibase
3.67,5.59,-42.73,3,1,1, 204.337, 0
59245899
 
#69

AZEPINE: AZ0001-0524
PubChem: 15635896
SureChEMBL: SCHEMBL14040665
ref: mol2, SDF, SMILES, flexibase
3.49,5.41,-43.75,3,1,1, 204.337, 0
3864419
 
#70

eMolecules: 207361388, 482165
Molport: MolPort-002-131-380
AKOS: AKOS001032458
Alinda Building Blocks: ALBB-013823
Anward: ANW-22888...49 total

ref: mol2, SDF, SMILES, flexibase
1.80,8.44,-91.24,0,4,-2, 250.294, 4
lo: mol2, SDF, SMILES, flexibase
1.80,6.46,-47.71,1,4,-1, 251.302, 4
lo: mol2, SDF, SMILES, flexibase
1.80,4.48,-9.63,2,4,0, 252.31, 4

Similar to: 4141349, 4474422, 4582992, 12402579, 12409110, ... 8 in total.
36634
 
#71

ChemMol: 30113732, 44009214, 30111539
eMolecules: 479296
Molport: MolPort-001-011-631, MolPort-000-001-395
Scientific Exchange (make on demand): POD_04/0209, E-098161
Acros Organics: 43305...222 total

ref: mol2, SDF, SMILES, flexibase
0.32,2.36,-30.28,4,2,1, 121.163, 1

Similar to: 6426504, 39017208,
1679967
 
#72

ChemMol: 44030912, 30105410, 98000350
Molport: MolPort-001-764-755
Scientific Exchange (make on demand): Z-020673
AK Scientific: I314
AKOS: AKOS003239422...52 total

ref: mol2, SDF, SMILES, flexibase
4.32,1.36,-13.22,0,6,0, 308.34, 5

Similar to: 34649417,
1677582
 
#73

Acros Organics: 11231
AK Scientific: K907
Alfa-Aesar: B23885
Anward: ANW-28623
Ark Pharm Building Blocks: AK161704...83 total

ref: mol2, SDF, SMILES, flexibase
0.48,1.59,-88.8,6,2,2, 146.278, 7

Similar to: 1706212, 5178641, 5178646,
2038000
 
#74

ChemMol: 44003051, 2200448, 80100456
eMolecules: 482678
Molport: MolPort-000-900-562
Scientific Exchange (make on demand): F-116898
Acros Organics: 16567...77 total

ref: mol2, SDF, SMILES, flexibase
1.85,5.01,-45.47,0,2,-1, 194.048, 5

Similar to: 34466612,
1668459
 
#75

ChemMol: 30100050, 83601526, 44000051
eMolecules: 920652
Molport: MolPort-001-759-788, MolPort-001-792-701
Acros Organics: 16201
AKOS: AKOS005716851...61 total

ref: mol2, SDF, SMILES, flexibase
-0.01,0.92,-43.55,3,1,1, 94.565, 2
2556977
 
#76

ChemMol: 42305320, 96707945, 30110875, 83600155, 2001100, 44002496, 30200536
eMolecules: 483334
Acorn PharmaTech: ACN-S003662
Acros Organics: 38990, AW00372
ACT Chemical BB: ACT03182...118 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-0.7,-48.23,4,4,1, 161.225, 4

Similar to: 44239645,
4290653
 
#77

ChemMol: 44012063, 96709308, 97802311, 2000609
Acorn PharmaTech: ACN-S003636
Acros Organics: 44182
ACT Chemical BB: ACT09389
AK Scientific: W4760...89 total

ref: mol2, SDF, SMILES, flexibase
0.31,2.75,-49.15,2,2,1, 111.168, 0
2015949
 
#78

ChemMol: 98000593, 1202640, 30105806
eMolecules: 480018
Molport: MolPort-001-768-680
Acros Organics: 15548
AK Scientific: L550...79 total

ref: mol2, SDF, SMILES, flexibase
1.55,3.2,-43,3,1,1, 122.191, 1

Similar to: 2389989,
599985
 
#79

Amidohydrolase AH-EFI: 4-aminopyridine
CCP W191G binders: MFCD00006439
ChemMol: 1201333, 44008640
Scientific Exchange (make on demand): M-142610
TCM Database @ Taiwan: 29598...186 total

ref: mol2, SDF, SMILES, flexibase
-0.28,1.07,-28.7,3,2,1, 95.125, 0
hi: mol2, SDF, SMILES, flexibase
-0.28,0.59,-4.62,2,2,0, 94.117, 0
82250330
 
#80

AZEPINE: AZ0001-0463
Otava: 5516071
ref: mol2, SDF, SMILES, flexibase
0.13,5.8,-42.35,1,4,-1, 274.218, 6
lo: mol2, SDF, SMILES, flexibase
0.13,3.8,-9.83,2,4,0, 275.226, 6
82250329
 
#81

AZEPINE: AZ0001-0463
Otava: 5516071
ref: mol2, SDF, SMILES, flexibase
0.13,5.82,-42.56,1,4,-1, 274.218, 6
lo: mol2, SDF, SMILES, flexibase
0.13,3.83,-9.56,2,4,0, 275.226, 6
1656334
 
#82

ChemMol: 44018450, 98000814, 44021138, 1202330
Molport: MolPort-020-096-866
Acorn PharmaTech: ACN-S003816
Acros Organics: 15788
AK Scientific: X8243...76 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.99,-44.19,3,1,1, 136.218, 2

Similar to: 39241039,
5715333
 
#83

AK Scientific: V5712
Alfa-Aesar: H63386
Alinda Building Blocks: ALBB-017817
AZEPINE: AZ0001-0460
ChemDiv BuildingBlocks: BB12-3132...26 total

ref: mol2, SDF, SMILES, flexibase
1.10,-0.11,-3.05,1,2,0, 101.149, 2
4202304
 
#84

ChemMol: 83603644, 44032662, 97300811, 1201484, 2000073, 30102341, 1036117, 30111660, 96708144, 44002589
Molport: MolPort-000-000-290
A&J Pharmtech: AJ-00572
Acorn PharmaTech: ACN-S003615
Acros Organics: 38486...122 total

ref: mol2, SDF, SMILES, flexibase
0.64,2.75,-50.1,3,4,1, 201.29, 2

Similar to: 34566619, 36878958, 36878985, 36878987, 44238562, ... 5 in total.
164421
 
#85

ChemMol: 96707582, 44034777, 30203219, 51500605, 1201331, 44002497, 97806463, 30102181, 2000997
eMolecules: 492433
Scientific Exchange (make on demand): POD_81/0464
Acros Organics: 10973
AKOS: AKOS000120582...95 total

ref: mol2, SDF, SMILES, flexibase
1.63,3.7,-9.25,0,4,0, 158.544, 1
1688363
 
#86

Alfa-Aesar: A19959
Anward: ANW-16346
AZEPINE: AZ0001-0437
Chembo Pharma: KB-70050
Fluorochem: 341858...38 total

ref: mol2, SDF, SMILES, flexibase
-1.34,2.18,-68.82,2,3,1, 124.167, 4

Similar to: 39256998,
3860568
 
#87

ChemMol: 1036303, 44006899, 44026628
eMolecules: 3268277, 494264
Molport: MolPort-000-005-113, MolPort-004-052-470
Scientific Exchange (make on demand): POD_32/0452
Acorn PharmaTech: ACN-S002566...96 total

ref: mol2, SDF, SMILES, flexibase
1.30,4.03,-53.2,2,5,1, 208.241, 2

Similar to: 26474333, 32117957, 44248757,
1747045
 
#88

eMolecules: 6691750
Molport: MolPort-001-769-826
Aldrich CPR: PH010932|ALDRICH
Anward: ANW-29175
AZEPINE: AZ0001-0429...28 total

ref: mol2, SDF, SMILES, flexibase
0.90,3.81,-47.1,0,5,-1, 229.233, 4

Similar to: 36172952,
22129817
 
#89

AZEPINE: AZ0001-0428
Innovapharm Building Blocks: BBS-00014408
Fluorochem (Depleted): 097673
PubChem: 70115509, 21713179, 10867199, 23680956, 20561858, 56953816, 20141898, 6913934, 42617548, 23694853, 66664512, 21534695, 3952261, 22759598, 42622480, 23714397
SureChEMBL: SCHEMBL6368286...23 total

ref: mol2, SDF, SMILES, flexibase
-0.45,0.89,-52.55,0,3,-1, 171.197, 2
4524372
 
#90

ChemMol: 30111162, 44014747
eMolecules: 507012
Molport: MolPort-001-018-730
TCM Database @ Taiwan: 25680
Acros Organics: 38651...50 total

ref: mol2, SDF, SMILES, flexibase
2.93,2.36,-5.76,0,3,0, 163.176, 2

Similar to: 34364901, 78163,
5240149
 
#91

eMolecules: 43028406
Molport: MolPort-001-002-587
AKOS: AKOS000296814
Alfa-Aesar: L19263
AZEPINE: AZ0001-0423...27 total

ref: mol2, SDF, SMILES, flexibase
1.79,3.52,-41.5,0,4,-1, 159.172, 1
36058018
 
#92

AZEPINE: AZ0001-0420
ChemDB: 4970951
PubChem: 231829, 6993539
SureChEMBL: SCHEMBL3118749
Enamine BB Make on Demand: BBV-34209984...7 total

ref: mol2, SDF, SMILES, flexibase
3.04,4.22,-6.86,1,4,0, 201.609, 1

Similar to: 35799625,
157592
 
#93

ChemMol: 98000586, 1200784, 1030170
eMolecules: 490851
Acros Organics: 10878
AK Scientific: W4636
AKOS: AKOS000119563...88 total

ref: mol2, SDF, SMILES, flexibase
1.75,2.97,-39.62,3,1,1, 142.609, 1

Similar to: 39298740,
3888869
 
#94

ChemMol: 30201072, 30201113
eMolecules: 5769764, 1343752
Molport: MolPort-001-965-689, MolPort-003-981-861
AK Scientific: 9039AC, X2948
AKOS: AKOS000118289...52 total

ref: mol2, SDF, SMILES, flexibase
1.98,6.15,-47.74,0,3,-1, 192.238, 4

Similar to: 34552461, 34552462, 36203313,
155787
 
#95

Molport: MolPort-002-470-462
AK Scientific: V4342
AKOS: AKOS000101722
Angene Building Blocks: AGN-PC-0JVO87
Anward: ANW-24431...36 total

ref: mol2, SDF, SMILES, flexibase
2.80,2.09,-50.05,0,2,-1, 207.224, 2
4709214
 
#96

eMolecules: 18509823
Molport: MolPort-012-427-668, MolPort-002-917-331
Aldrich CPR: TMT00067|ALDRICH
AZEPINE: AZ0001-0404
Chembo Pharma: KB-162494...24 total

ref: mol2, SDF, SMILES, flexibase
2.65,1.74,-5.68,0,3,0, 169.205, 2
103316
 
#97

eMolecules: 653204
Molport: MolPort-001-019-955
Scientific Exchange (make on demand): Z-042861
AKOS: AKOS000499505
Aldrich CPR: R589470|ALDRICH...23 total

ref: mol2, SDF, SMILES, flexibase
1.24,6.15,-16.05,0,5,0, 220.228, 2

Similar to: 60620212,
1688697
 
#98

eMolecules: 477283
Molport: MolPort-001-495-601
AK Scientific: 6504AD, 5267AB
AKOS: AKOS003267235
Alinda Building Blocks: ALBB-022259...35 total

ref: mol2, SDF, SMILES, flexibase
2.04,3.11,-7.65,0,3,0, 167.139, 2

Similar to: 17001716,
33976
 
#99

ChemMol: 44028595
eMolecules: 610148
Acorn PharmaTech: ACN-000275
AKOS: AKOS000268973
Aldrich CPR: S352918|ALDRICH...50 total

ref: mol2, SDF, SMILES, flexibase
2.00,5.27,-8.8,0,5,0, 193.158, 2

Similar to: 12368222,
36425
 
#100

eMolecules: 18593980
Scientific Exchange (make on demand): Z-006440
AK Scientific: 1745AC, X5308
AKOS: AKOS002936396
Alfa-Aesar: A14721...45 total

ref: mol2, SDF, SMILES, flexibase
2.55,2.72,-6.11,0,3,0, 163.176, 2

Similar to: 1703061, 6167748, 12368774, 31671510, 38434212, ... 5 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 = 820 ) limit 0,100

Smiles were