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85471779
 
#1

AK Scientific: Z7313
Alfa-Aesar: H61376
Anward: ANW-16165
Chembo Pharma: KB-98936
Combi-Blocks: SH-5348...11 total

ref: mol2, SDF, SMILES, flexibase
2.38,6.13,-6.44,0,3,0, 267.126, 1
53045858
 
#2

eMolecules: 475652
Enolase via KEGG (EFI): C01384_1
Acros Organics: 12523
AK Scientific: S429
Alfa-Aesar: A14596...126 total

37475733
 
#3

AK Scientific: Z7299
Anward: ANW-16116
Combi-Blocks: SH-5223
Ryan Scientific BB: 077-57410
Tractus: TRA0008427...6 total

ref: mol2, SDF, SMILES, flexibase
2.81,3.51,-3.76,1,2,0, 245.116, 3
37474891
 
#4

AK Scientific: Z7298
Anward: ANW-16115
Ark Pharm Building Blocks: AK146376
Combi-Blocks: SH-5220
Ryan Scientific BB: 077-57407...9 total

ref: mol2, SDF, SMILES, flexibase
3.26,5.78,-4.31,0,2,0, 243.1, 3
85471775
 
#5

Anward: ANW-16114
Tractus: TRA0008425
PubChem: 70699473
ref: mol2, SDF, SMILES, flexibase
2.35,7.23,-37.36,0,3,-1, 269.049, 2
19166957
 
#6

Alfa-Aesar: 43793
Anward: ANW-16097
Apexmol Building Blocks: AM20080045
Ark Pharm Building Blocks: AK-41264
BePharm Building Blocks: B17496...19 total

ref: mol2, SDF, SMILES, flexibase
-1.98,-3.75,-34.8,5,3,1, 77.107, 2
mid: mol2, SDF, SMILES, flexibase
-1.98,-4.51,-40,5,3,1, 77.107, 2
mid: mol2, SDF, SMILES, flexibase
-1.98,-4.39,-6.85,4,3,0, 76.099, 2
13524067
 
#7

Acros Organics: 22896
Anward: ANW-55452
Chembo Pharma: KB-176840
Sigma Aldrich (Building Blocks): U6883|SIGMA, 709638|ALDRICH
Tractus: TRA0005370...17 total

hi: mol2, SDF, SMILES, flexibase
-0.04,4.06,-54.8,1,4,-1, 137.118, 2
85488233
 
#8

Anward: ANW-58534
Tractus: TRA0004392
Debye Scientific BB (Depleted): DB-059015
PubChem: 53414981
SureChEMBL: SCHEMBL5302518...5 total

ref: mol2, SDF, SMILES, flexibase
1.64,4.94,-42.71,0,3,-1, 227.037, 2
15442644
 
#9

Anward: ANW-58487
APIChem: AC-17218
Ark Pharm Building Blocks: AK-81526
BePharm Building Blocks: B32474
Bosche Scientific: T4382...9 total

ref: mol2, SDF, SMILES, flexibase
4.33,12.84,-42.86,3,3,1, 368.504, 7
mid: mol2, SDF, SMILES, flexibase
4.33,13.31,-95.88,4,3,2, 369.512, 7

Similar to: 32264471, 32264483, 34323034, 34331775, 34331776, ... 20 in total.
19369225
 
#10

eMolecules: 1967800
Aldrich CPR: CDS008259|ALDRICH
Anward: ANW-58395
Ark Pharm Building Blocks: AK-81737
BePharm Building Blocks: B58307...20 total

ref: mol2, SDF, SMILES, flexibase
-0.02,2.49,-106.56,4,2,2, 130.235, 1
mid: mol2, SDF, SMILES, flexibase
-0.02,2.17,-31.69,3,2,1, 129.227, 1
mid: mol2, SDF, SMILES, flexibase
-0.02,0.15,-42.15,3,2,1, 129.227, 1

Similar to: 31993073, 31993089, 31993114, 31994362, ... 4 in total.
34267427
 
#11

Anward: ANW-58307
Tractus: TRA0037466
PubChem: 14306083
SureChEMBL: SCHEMBL3659309
ref: mol2, SDF, SMILES, flexibase
1.55,9.73,-53.92,0,5,-1, 296.302, 4
19737058
 
#12

Anward: ANW-58214
Ark Pharm Building Blocks: AK-86911
BePharm Building Blocks: B134386
ChemBridge BuildingBlocks: 4025652
Matrix Scientific: 027280...7 total

ref: mol2, SDF, SMILES, flexibase
0.97,5.31,-52.1,0,4,-1, 175.167, 2
mid: mol2, SDF, SMILES, flexibase
0.97,5.76,-47.16,1,4,0, 176.175, 2

Similar to: 36220606, 36221747, 36222597,
14985070
 
#13

Anward: ANW-58208
Ark Pharm Building Blocks: AK-86946
BePharm Building Blocks: B158584
Capot Chemical: 21735
Chembo Pharma: KB-187758...10 total

ref: mol2, SDF, SMILES, flexibase
3.12,1.83,-42.31,0,2,-1, 218.179, 1
lo: mol2, SDF, SMILES, flexibase
2.67,3.8,-7.2,1,2,0, 219.187, 1

Similar to: 34370427, 39282108, 44713312,
14984963
 
#14

Aldrich CPR: CDS018468|ALDRICH
Anward: ANW-58196
Ark Pharm Building Blocks: AK-87026
BePharm Building Blocks: B21960
Capot Chemical: 21838...16 total

ref: mol2, SDF, SMILES, flexibase
2.39,0.84,-44.7,0,2,-1, 168.172, 0
mid: mol2, SDF, SMILES, flexibase
1.93,2.81,-7,1,2,0, 169.18, 0
14985057
 
#15

AK Scientific: 3877AC
Anward: ANW-58192
Ark Pharm Building Blocks: AK-87045
BePharm Building Blocks: B22940
Chembo Pharma: KB-188338...11 total

ref: mol2, SDF, SMILES, flexibase
3.54,1.81,-38.75,0,2,-1, 219.072, 0
lo: mol2, SDF, SMILES, flexibase
3.08,3.77,-5.38,1,2,0, 220.08, 0

Similar to: 39648410,
408034
 
#16

Molport: MolPort-001-836-295
AK Scientific: S778
Aldrich CPR: R587354|ALDRICH
Anward: ANW-58184
APIChem: AC-12081...25 total

ref: mol2, SDF, SMILES, flexibase
2.91,2.16,-37.58,0,2,-1, 184.627, 0
mid: mol2, SDF, SMILES, flexibase
2.45,3.24,-6.49,1,2,0, 185.635, 0
85488227
 
#17

Anward: ANW-58072
Tractus: TRA0088120
EndoTherm (Depleted): ENW055
PubChem: 53396488
SureChEMBL: SCHEMBL2223723...6 total

ref: mol2, SDF, SMILES, flexibase
4.04,6.91,-38.04,2,4,1, 263.361, 4
hi: mol2, SDF, SMILES, flexibase
4.04,4.68,-7.31,1,4,0, 262.353, 4
21298831
 
#18

Anward: ANW-58070
APIChem: AC-13693
Ark Pharm Building Blocks: AK-90100
BePharm Building Blocks: B20477
ref: mol2, SDF, SMILES, flexibase
4.38,4.91,-34.07,0,1,-1, 343.82, 0
mid: mol2, SDF, SMILES, flexibase
4.38,4.27,-3.43,1,1,0, 344.828, 0

Similar to: 39236433, 39258950, 39299457, 59454913, ... 8 in total.
85488223
 
#19

Anward: ANW-58059
ref: mol2, SDF, SMILES, flexibase
-4.45,-15.94,-13.11,9,10,0, 300.26, 5
85488222
 
#20

Anward: ANW-58059
ref: mol2, SDF, SMILES, flexibase
-4.45,-15.71,-13.8,9,10,0, 300.26, 5
23529032
 
#21

Anward: ANW-57886
Ark Pharm Building Blocks: AK-29937
BePharm Building Blocks: B32881
Capot Chemical: 8281
Zylexa Pharma BB: ZP-BB-AL006551...5 total

ref: mol2, SDF, SMILES, flexibase
0.87,6.06,-30.59,3,3,1, 192.217, 1
mid: mol2, SDF, SMILES, flexibase
0.87,5.62,-10.03,2,3,0, 191.209, 1
23529018
 
#22

Anward: ANW-57882
Apexmol Building Blocks: AM802853
Ark Pharm Building Blocks: AK-30229
BePharm Building Blocks: B40178
Capot Chemical: 8302...9 total

ref: mol2, SDF, SMILES, flexibase
0.57,5.75,-29.89,3,3,1, 174.227, 1
mid: mol2, SDF, SMILES, flexibase
0.57,5.32,-8.82,2,3,0, 173.219, 1

Similar to: 39292798, 39642342,
21298015
 
#23

Anward: ANW-50998, ANW-57861
APIChem: AC-2812
Ark Pharm Building Blocks: AK-46536, AK-33292
BePharm Building Blocks: B101770, B18366
Capot Chemical: 18126...16 total

ref: mol2, SDF, SMILES, flexibase
2.99,7.61,-55.55,2,3,1, 254.309, 2
mid: mol2, SDF, SMILES, flexibase
2.99,6.25,-8.14,1,3,0, 253.301, 2

Similar to: 21298898, 34647213, 38423269, 67176147, 67176148, ... 5 in total.
66055367
 
#24

AK Scientific: 4634AB
Anward: ANW-57798
Apexmol Building Blocks: AM20040288
Ark Pharm Building Blocks: AK-38978
BePharm Building Blocks: B28507...22 total

85488215
 
#25

Anward: ANW-57782
PubChem: 70700330
ref: mol2, SDF, SMILES, flexibase
7.05,14.58,-5.84,1,3,0, 455.623, 3
85488212
 
#26

Anward: ANW-57782
PubChem: 70700330
ref: mol2, SDF, SMILES, flexibase
7.05,14.54,-3.8,1,3,0, 455.623, 3
85488209
 
#27

Anward: ANW-57782
PubChem: 70700330
ref: mol2, SDF, SMILES, flexibase
7.05,14.61,-3.96,1,3,0, 455.623, 3
85488207
 
#28

Anward: ANW-57782
PubChem: 70700330
ref: mol2, SDF, SMILES, flexibase
7.05,14.29,-4.23,1,3,0, 455.623, 3
38338210
 
#29

ACT Chemical BB: ACT04867
AK Scientific: I079
American Custom Chemicals Corp.: CCH0001241
Anward: ANW-57732
APIChem: AC-313...27 total

ref: mol2, SDF, SMILES, flexibase
0.50,-1.15,-38.42,2,2,0, 126.203, 0
mid: mol2, SDF, SMILES, flexibase
0.50,0.67,-34.07,3,2,1, 127.211, 0
lo: mol2, SDF, SMILES, flexibase
0.50,2,-108.74,4,2,2, 128.219, 0

Similar to: 39343584, 39343585,
18203737
 
#30

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

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

Similar to: 26516460, 34939306, 34939334, 38458032, 39384909, ... 7 in total.
85488200
 
#31

Anward: ANW-57650
Mcule: MCULE-7790873364
Tractus: TRA0073396
Debye Scientific BB (Depleted): DB-059090
PubChem: 57351455...6 total

ref: mol2, SDF, SMILES, flexibase
2.50,7.35,-7.32,0,3,0, 269.094, 4
21300109
 
#32

Anward: ANW-57574
Apexmol Building Blocks: AM82960
Ark Pharm Building Blocks: AK-68280
BePharm Building Blocks: B87044
Capot Chemical: 17451...11 total

ref: mol2, SDF, SMILES, flexibase
1.40,2.65,-30.15,0,3,-1, 146.125, 1
mid: mol2, SDF, SMILES, flexibase
1.40,2.03,-13.74,1,3,0, 147.133, 1

Similar to: 38415920, 2581339,
4658290
 
#33

Amidohydrolase AH-EFI: 6-mercaptopurine
ChemMol: 96700923, 30101353, 44026292, 42303035
eMolecules: 729201, 525836, 1061194
Molport: MolPort-003-846-751, MolPort-001-815-626, MolPort-016-582-666, MolPort-001-783-696
Scientific Exchange (make on demand): POD_29/0636...126 total

ref: mol2, SDF, SMILES, flexibase
-0.39,4.06,-18.68,2,4,0, 152.182, 0
hi: mol2, SDF, SMILES, flexibase
0.34,3.67,-44.86,1,4,-1, 151.174, 0
hi: mol2, SDF, SMILES, flexibase
0.34,3.66,-43.68,1,4,-1, 151.174, 0
38540308
 
#34

ACT Chemical BB: ACT10699
AK Scientific: 6551AC
American Custom Chemicals Corp.: CHM0291691
Anward: ANW-57545
Ark Pharm Building Blocks: AK-78368...10 total

ref: mol2, SDF, SMILES, flexibase
0.76,5.35,-25.14,3,4,1, 204.253, 2
mid: mol2, SDF, SMILES, flexibase
0.76,4.87,-8.95,2,4,0, 203.245, 2
85488196
 
#35

Anward: ANW-57511
Chembo Pharma: KB-258603
Tractus: TRA0071756
PubChem: 70583561
SureChEMBL: SCHEMBL11425334...5 total

ref: mol2, SDF, SMILES, flexibase
0.64,3.12,-18.52,4,5,0, 284.315, 4
mid: mol2, SDF, SMILES, flexibase
0.64,3.42,-58.41,5,5,1, 285.323, 4
20230992
 
#36

eMolecules: 721483
Acros Organics: KM07907
AK Scientific: Y9915
Anward: ANW-57495
Apexmol Building Blocks: AM804284...18 total

ref: mol2, SDF, SMILES, flexibase
3.26,10.65,-34.27,1,4,1, 339.459, 7
mid: mol2, SDF, SMILES, flexibase
3.26,8.45,-5.88,0,4,0, 338.451, 7
lo: mol2, SDF, SMILES, flexibase
3.26,10.78,-39.68,1,4,1, 339.459, 7

Similar to: 34401037, 34401038, 34418955, 34418956, 34425628, ... 28 in total.
20230989
 
#37

eMolecules: 721483
Acros Organics: KM07907
AK Scientific: Y9915
Anward: ANW-57495
Apexmol Building Blocks: AM804284...18 total

ref: mol2, SDF, SMILES, flexibase
3.26,10.84,-32.12,1,4,1, 339.459, 7
mid: mol2, SDF, SMILES, flexibase
3.26,8.59,-5.32,0,4,0, 338.451, 7
lo: mol2, SDF, SMILES, flexibase
3.26,10.92,-42.84,1,4,1, 339.459, 7

Similar to: 34401037, 34401038, 34418955, 34418956, 34425628, ... 28 in total.
40434629
 
#38

AK Scientific: Y4289
Anward: ANW-57339
Ark Pharm Building Blocks: AK-31284
BePharm Building Blocks: B206175
Bide Pharmatech BB: BD206175...6 total

ref: mol2, SDF, SMILES, flexibase
1.22,1.98,-45.63,3,3,1, 192.164, 1
mid: mol2, SDF, SMILES, flexibase
1.22,1.86,-52.65,3,3,1, 192.164, 1
hi: mol2, SDF, SMILES, flexibase
1.22,0.35,-33.62,1,3,-1, 190.148, 1
hi: mol2, SDF, SMILES, flexibase
1.22,1.72,-44.62,2,3,0, 191.156, 1
5117052
 
#39

AK Scientific: 1981AB
Anward: ANW-57338
Ark Pharm Building Blocks: AK-31544
BePharm Building Blocks: B160364
Bide Pharmatech BB: BD160364...17 total

ref: mol2, SDF, SMILES, flexibase
0.49,2.94,-10.23,1,3,0, 107.116, 0
lo: mol2, SDF, SMILES, flexibase
0.49,3.32,-28.38,2,3,1, 108.124, 0
14984953
 
#40

Anward: ANW-57302
APIChem: AC-155
Ark Pharm Building Blocks: AK-36243
BePharm Building Blocks: B22425
Bide Pharmatech BB: BD22425...12 total

ref: mol2, SDF, SMILES, flexibase
3.04,1.43,-41.35,0,2,-1, 229.078, 0
mid: mol2, SDF, SMILES, flexibase
2.58,3.38,-6.23,1,2,0, 230.086, 0

Similar to: 43220510,
40448756
 
#41

Anward: ANW-69891, ANW-57300
Ark Pharm Building Blocks: AK-35301
BePharm Building Blocks: B28836, B241742
Bide Pharmatech BB: BD158602
Chembo Pharma: KB-25353...12 total

mid: mol2, SDF, SMILES, flexibase
0.09,1.99,-42.17,3,3,1, 138.194, 0
mid: mol2, SDF, SMILES, flexibase
0.09,1.99,-46.11,3,3,1, 138.194, 0
hi: mol2, SDF, SMILES, flexibase
0.09,1.03,-26.9,3,3,1, 138.194, 0
hi: mol2, SDF, SMILES, flexibase
0.09,0.62,-6.86,2,3,0, 137.186, 0
hi: mol2, SDF, SMILES, flexibase
0.09,0.61,-7.04,2,3,0, 137.186, 0
21982470
 
#42

A&J Pharmtech: AJ-02279
AK Scientific: 2032AB
Anward: ANW-57272
Ark Pharm Building Blocks: AK143341, AK-40539
BePharm Building Blocks: B162192...14 total

ref: mol2, SDF, SMILES, flexibase
-1.47,0.91,-47.27,4,3,1, 177.227, 0
mid: mol2, SDF, SMILES, flexibase
-1.47,0.56,-10.62,3,3,0, 176.219, 0
21982472
 
#43

AK Scientific: 2032AB
Anward: ANW-57272
Ark Pharm Building Blocks: AK143341, AK-40539
BePharm Building Blocks: B162192
Bide Pharmatech BB: BD162192...13 total

ref: mol2, SDF, SMILES, flexibase
-1.47,0.91,-47.25,4,3,1, 177.227, 0
mid: mol2, SDF, SMILES, flexibase
-1.47,0.83,-8.61,3,3,0, 176.219, 0
5386998
 
#44

ChemMol: 42301740
eMolecules: 45491538, 36263424
Molport: MolPort-020-097-768
Acros Organics: SPB05355
AK Scientific: 9154AA...53 total

ref: mol2, SDF, SMILES, flexibase
0.46,1.52,-7.23,1,3,0, 110.116, 1
ref: mol2, SDF, SMILES, flexibase
0.46,1.54,-8.03,1,3,0, 110.116, 1
40571766
 
#45

AK Scientific: X6329
Anward: ANW-57216
Ark Pharm Building Blocks: AK-57017
BePharm Building Blocks: B216936
Bide Pharmatech BB: BD216936...13 total

ref: mol2, SDF, SMILES, flexibase
2.66,4.41,-30.94,0,4,-1, 268.09, 3
mid: mol2, SDF, SMILES, flexibase
2.66,4.73,-6.46,1,4,0, 269.098, 3
lo: mol2, SDF, SMILES, flexibase
2.66,5.18,-34.34,2,4,1, 270.106, 3
20441133
 
#46

Molport: MolPort-022-470-318
A&J Pharmtech: AJ-02225
AK Scientific: W3414, W8363
Aldrich CPR: MNO000144|ALDRICH
Anward: ANW-57103...44 total

ref: mol2, SDF, SMILES, flexibase
-0.32,0.27,-43.73,3,3,1, 110.14, 0
hi: mol2, SDF, SMILES, flexibase
-0.32,-1.29,-7.06,2,3,0, 109.132, 0
hi: mol2, SDF, SMILES, flexibase
-0.32,-1.21,-6.7,2,3,0, 109.132, 0
50888564
 
#47

AK Scientific: 0943AC, V7502
Angene Building Blocks: AGN-PC-0KNXCI
Anward: ANW-57015
Apexmol Building Blocks: AM807221
APIChem: AC-24283...24 total

ref: mol2, SDF, SMILES, flexibase
-0.34,3.74,-54.1,2,4,1, 172.204, 3
mid: mol2, SDF, SMILES, flexibase
-0.34,2.36,-9.79,1,4,0, 171.196, 3
50888562
 
#48

AK Scientific: 0943AC, V7502
Angene Building Blocks: AGN-PC-0KNXCI
Anward: ANW-57015
Apexmol Building Blocks: AM807221
APIChem: AC-24283...24 total

ref: mol2, SDF, SMILES, flexibase
-0.34,3.74,-54.09,2,4,1, 172.204, 3
mid: mol2, SDF, SMILES, flexibase
-0.34,2.37,-8.75,1,4,0, 171.196, 3
19857217
 
#49

eMolecules: 6799656
Molport: MolPort-002-724-724, MolPort-008-154-203
AKOS: AKOS005617661
Anward: ANW-39809, ANW-56843
Apexmol Building Blocks: AM806780...29 total

ref: mol2, SDF, SMILES, flexibase
1.34,1.59,-11.26,1,4,0, 199.011, 0
mid: mol2, SDF, SMILES, flexibase
1.34,1.38,-35.77,0,4,-1, 198.003, 0
lo: mol2, SDF, SMILES, flexibase
1.34,1.66,-6.49,1,4,0, 199.011, 0
5425037
 
#50

Molport: MolPort-013-393-660
Scientific Exchange (make on demand): F-406236
Aldrich CPR: CDS005473|ALDRICH
Alinda Building Blocks: ALBB-012403
Anward: ANW-56817...42 total

ref: mol2, SDF, SMILES, flexibase
1.66,4.83,-27.68,4,3,1, 148.189, 0
ref: mol2, SDF, SMILES, flexibase
1.66,4.84,-27.63,4,3,1, 148.189, 0
mid: mol2, SDF, SMILES, flexibase
1.66,4.36,-8.56,3,3,0, 147.181, 0
mid: mol2, SDF, SMILES, flexibase
1.66,4.37,-8.3,3,3,0, 147.181, 0

Similar to: 8701129,
22995856
 
#51

ChemMol: 44033435
AK Scientific: X3336
Anward: ANW-56689
Ark Pharm Building Blocks: AK-68350
BePharm Building Blocks: B107280...15 total

ref: mol2, SDF, SMILES, flexibase
0.73,1.38,-18.88,1,3,0, 154.556, 0
mid: mol2, SDF, SMILES, flexibase
1.18,0.31,-34.55,0,3,-1, 153.548, 0
21300682
 
#52

AK Scientific: 4103AC
Anward: ANW-56622
Ark Pharm Building Blocks: AK-24008
BePharm Building Blocks: B22972
Chembo Pharma: KB-189250...10 total

ref: mol2, SDF, SMILES, flexibase
0.80,-0.89,-32.82,3,6,-1, 169.116, 1
mid: mol2, SDF, SMILES, flexibase
0.80,-1.67,-10.5,4,6,0, 170.124, 1
mid: mol2, SDF, SMILES, flexibase
0.80,-0.71,-50.56,3,6,-1, 169.116, 1
hi: mol2, SDF, SMILES, flexibase
0.80,0.07,-107.25,2,6,-2, 168.108, 1

Similar to: 32153567, 33847146,
5758363
 
#53

AK Scientific: R151
Anward: ANW-56621
APIChem: AC-2395
Ark Pharm Building Blocks: AK-24021
BePharm Building Blocks: B9641...22 total

ref: mol2, SDF, SMILES, flexibase
-0.20,1.24,-35.9,6,5,1, 140.17, 0
mid: mol2, SDF, SMILES, flexibase
-0.38,1.56,-30.79,6,5,1, 140.17, 1
mid: mol2, SDF, SMILES, flexibase
-0.38,1.17,-7.54,5,5,0, 139.162, 1
mid: mol2, SDF, SMILES, flexibase
-0.20,1.52,-25.35,6,5,1, 140.17, 0
mid: mol2, SDF, SMILES, flexibase
-0.20,1.38,-102.59,7,5,2, 141.178, 0
21299994
 
#54

AK Scientific: H515
Anward: ANW-56573
APIChem: AC-4677
Ark Pharm Building Blocks: AK-28662
BePharm Building Blocks: B22291...16 total

ref: mol2, SDF, SMILES, flexibase
0.96,1.55,-13.92,1,6,0, 309.752, 1
hi: mol2, SDF, SMILES, flexibase
2.70,2.17,-35.5,0,6,-1, 308.744, 2
14982089
 
#55

AK Scientific: Y4180
Anward: ANW-56559
Apexmol Building Blocks: AM20061535
Ark Pharm Building Blocks: AK-29567
BePharm Building Blocks: B70196...20 total

ref: mol2, SDF, SMILES, flexibase
0.42,1.7,-9.6,2,6,0, 169.14, 2
mid: mol2, SDF, SMILES, flexibase
0.42,1.99,-41.9,3,6,1, 170.148, 2
19788459
 
#56

Anward: ANW-73629, ANW-56534
Ark Pharm Building Blocks: AK-38755, AK-32319
BePharm Building Blocks: B163470, B163469
Chembo Pharma: KB-10960
ref: mol2, SDF, SMILES, flexibase
1.87,6.54,-122.14,3,2,2, 224.735, 0
mid: mol2, SDF, SMILES, flexibase
1.87,4.36,-43.66,2,2,1, 223.727, 0
hi: mol2, SDF, SMILES, flexibase
1.87,2.93,-3.07,1,2,0, 222.719, 0

Similar to: 34426623, 34426624,
19788460
 
#57

Anward: ANW-73629, ANW-56534
Ark Pharm Building Blocks: AK-38755, AK-32319
BePharm Building Blocks: B163470, B163469
Chembo Pharma: KB-10960
ref: mol2, SDF, SMILES, flexibase
1.87,6.54,-122.16,3,2,2, 224.735, 0
mid: mol2, SDF, SMILES, flexibase
1.87,4.35,-43.68,2,2,1, 223.727, 0
hi: mol2, SDF, SMILES, flexibase
1.87,2.96,-3.47,1,2,0, 222.719, 0

Similar to: 34426623, 34426624,
19788455
 
#58

Anward: ANW-56531
Ark Pharm Building Blocks: AK-32326, AK-38757
BePharm Building Blocks: B163473
Chembo Pharma: KB-10962
Tractus: TRA0007654...6 total

ref: mol2, SDF, SMILES, flexibase
1.35,6.09,-123.23,3,2,2, 208.28, 0
mid: mol2, SDF, SMILES, flexibase
1.35,3.91,-44.47,2,2,1, 207.272, 0
hi: mol2, SDF, SMILES, flexibase
1.35,2.48,-3.65,1,2,0, 206.264, 0

Similar to: 34426625, 34426626,
19788456
 
#59

Anward: ANW-56531
Ark Pharm Building Blocks: AK-32326, AK-38757
BePharm Building Blocks: B163473
Chembo Pharma: KB-10962
Tractus: TRA0007654...6 total

ref: mol2, SDF, SMILES, flexibase
1.35,6.09,-123.24,3,2,2, 208.28, 0
mid: mol2, SDF, SMILES, flexibase
1.35,3.9,-44.48,2,2,1, 207.272, 0
hi: mol2, SDF, SMILES, flexibase
1.35,2.51,-4.1,1,2,0, 206.264, 0

Similar to: 34426625, 34426626,
4352753
 
#60

ChemMol: 1036100, 44027171
Molport: MolPort-023-219-239
AK Scientific: Y7669
Anward: ANW-41244, ANW-56463
Apexmol Building Blocks: AM803272...34 total

ref: mol2, SDF, SMILES, flexibase
1.08,3.19,-5.43,1,2,0, 161.002, 0
ref: mol2, SDF, SMILES, flexibase
1.08,3.17,-7.52,1,2,0, 161.002, 0
mid: mol2, SDF, SMILES, flexibase
1.08,3.65,-33.34,2,2,1, 162.01, 0
lo: mol2, SDF, SMILES, flexibase
1.08,3.67,-33.26,2,2,1, 162.01, 0

Similar to: 38523177, 39133148, 39133163,
35940042
 
#61

AK Scientific: Z3875
Angene Building Blocks: AGN-PC-0NWZP2
Anward: ANW-56444
Apexmol Building Blocks: AM86165
Ark Pharm Building Blocks: AK-32821...25 total

ref: mol2, SDF, SMILES, flexibase
2.57,3.96,-6.31,1,2,0, 170.574, 0
ref: mol2, SDF, SMILES, flexibase
2.57,3.96,-4.71,1,2,0, 170.574, 0
30678356
 
#62

Amadis Chemical: A849492
Anward: ANW-56269
Ark Pharm Building Blocks: AK162814, AK-27446
BePharm Building Blocks: B158313
Bide Pharmatech BB: BD158313...17 total

ref: mol2, SDF, SMILES, flexibase
2.66,7.4,-53.68,0,3,-1, 266.32, 3
mid: mol2, SDF, SMILES, flexibase
2.66,9.8,-51.28,1,3,0, 267.328, 3

Similar to: 36196079, 36196204, 39304685, 39307001, 39308510, ... 10 in total.
30677653
 
#63

eMolecules: 28220729
Anward: ANW-56251, ANW-48449
Ark Pharm Building Blocks: AK-28409, AK-28311
BePharm Building Blocks: B25990, B159205
Capot Chemical: 14611...19 total

ref: mol2, SDF, SMILES, flexibase
-0.39,0.94,-69.46,3,3,1, 277.163, 0
mid: mol2, SDF, SMILES, flexibase
-0.39,0.6,-13.2,2,3,0, 276.155, 0

Similar to: 30677650,
30677650
 
#64

eMolecules: 28220729
Anward: ANW-56251, ANW-48449
Ark Pharm Building Blocks: AK-28409, AK-28311
BePharm Building Blocks: B25990, B159205
Capot Chemical: 14611...19 total

ref: mol2, SDF, SMILES, flexibase
-0.39,0.94,-69.38,3,3,1, 277.163, 0
mid: mol2, SDF, SMILES, flexibase
-0.39,0.7,-12.19,2,3,0, 276.155, 0

Similar to: 30677653,
12336490
 
#65

Anward: ANW-56226, ANW-42581
Ark Pharm Building Blocks: AK-29744
BePharm Building Blocks: B157803
Chembo Pharma: KB-53992
Combi-Blocks: HC-2334...15 total

ref: mol2, SDF, SMILES, flexibase
2.02,3.71,-5.11,1,4,0, 182.223, 3
mid: mol2, SDF, SMILES, flexibase
2.02,3.76,-7.44,1,4,0, 182.223, 3
32251818
 
#66

Molport: MolPort-009-194-284, MolPort-015-137-876
AK Scientific: V3800
Anward: ANW-56159
Ark Pharm Building Blocks: AK-33696
BePharm Building Blocks: B160155...26 total

ref: mol2, SDF, SMILES, flexibase
1.29,4.39,-10.42,1,5,0, 217.228, 4
ref: mol2, SDF, SMILES, flexibase
1.29,4.41,-8.22,1,5,0, 217.228, 4

Similar to: 32254196, 32221153,
5204396
 
#67

AK Scientific: 3218AC
Alfa-Aesar: H50659
Anward: ANW-56086
Ark Pharm Building Blocks: AK-36574
BePharm Building Blocks: B157808...22 total

ref: mol2, SDF, SMILES, flexibase
3.10,5.56,-7.89,1,3,0, 218.643, 1
ref: mol2, SDF, SMILES, flexibase
3.10,5.52,-5.83,1,3,0, 218.643, 1
21981914
 
#68

Anward: ANW-56035
Ark Pharm Building Blocks: AK-29819
BePharm Building Blocks: B42517
Capot Chemical: 6116
ChemFuture PharmTech: CFP0638...8 total

ref: mol2, SDF, SMILES, flexibase
2.40,1.98,-17.78,1,2,0, 208.442, 0
mid: mol2, SDF, SMILES, flexibase
2.40,0.76,-7.54,1,2,0, 208.442, 0
mid: mol2, SDF, SMILES, flexibase
2.40,1.55,-32.09,0,2,-1, 207.434, 0
12950263
 
#69

Molport: MolPort-001-760-636
Scientific Exchange (make on demand): POD_33/0367
Alfa-Aesar: H34166
Anward: ANW-55969
BePharm Building Blocks: B13678...13 total

ref: mol2, SDF, SMILES, flexibase
1.97,6.53,-44.61,0,4,-1, 284.085, 4
mid: mol2, SDF, SMILES, flexibase
2.42,4.16,-18.44,1,4,0, 285.093, 4
mid: mol2, SDF, SMILES, flexibase
1.22,5.2,-7.59,0,4,0, 285.093, 5
49799622
 
#70

Anward: ANW-55747
Ark Pharm Building Blocks: AK-58152
BePharm Building Blocks: B62371
Key Organics Building Blocks: FA-0805
KeyOrganics: FA-0805...12 total

ref: mol2, SDF, SMILES, flexibase
1.04,4.85,-47.79,0,4,-1, 234.256, 3

Similar to: 33713663, 33713664,
20246859
 
#71

Anward: ANW-55721
Key Organics Building Blocks: 6H-949
KeyOrganics: 6H-949
PubChem: 15644260
ref: mol2, SDF, SMILES, flexibase
-0.98,1.64,-61.44,3,4,1, 167.236, 1
mid: mol2, SDF, SMILES, flexibase
-0.98,4.02,-117.26,4,4,2, 168.244, 1
mid: mol2, SDF, SMILES, flexibase
-0.98,4.19,-41.85,3,4,1, 167.236, 1
mid: mol2, SDF, SMILES, flexibase
-0.98,1.59,-6.7,2,4,0, 166.228, 1
hi: mol2, SDF, SMILES, flexibase
-0.98,1.87,-10.14,2,4,0, 166.228, 1
3883835
 
#72

eMolecules: 918298
AK Scientific: Y4921
Aldrich CPR: CDS017252|ALDRICH
Alinda Building Blocks: ALBB-015412
Anward: ANW-55590...52 total

ref: mol2, SDF, SMILES, flexibase
2.71,4.36,-4.06,1,2,0, 229.102, 1
ref: mol2, SDF, SMILES, flexibase
2.71,4.39,-5.9,1,2,0, 229.102, 1

Similar to: 38002032,
142510
 
#73

AKOS: AKOS005096494
Anward: ANW-55565
Apollo Scientific: PC1884J
Ark Pharm Building Blocks: AK-62838
BePharm Building Blocks: B13741...24 total

ref: mol2, SDF, SMILES, flexibase
2.41,0.29,-9.11,1,2,0, 240.661, 1
mid: mol2, SDF, SMILES, flexibase
2.41,6.79,-44.41,0,2,-1, 239.653, 1
mid: mol2, SDF, SMILES, flexibase
1.66,6.72,-8.97,0,2,0, 240.661, 1
494717
 
#74

eMolecules: 17501490
Molport: MolPort-004-746-994
Anward: ANW-55475
Ark Pharm Building Blocks: AK-63983
BePharm Building Blocks: B87193...16 total

ref: mol2, SDF, SMILES, flexibase
-0.81,0.22,-47.57,0,3,-1, 124.119, 0
mid: mol2, SDF, SMILES, flexibase
-0.56,0.88,-17.89,2,3,0, 125.127, 0
mid: mol2, SDF, SMILES, flexibase
-0.41,0.55,-10.73,1,3,0, 125.127, 0
mid: mol2, SDF, SMILES, flexibase
-0.41,-0.84,-7.84,1,3,0, 125.127, 0
lo: mol2, SDF, SMILES, flexibase
0.35,-1.35,-33.48,3,3,1, 126.135, 0
16051578
 
#75

Acros Organics: 22896
Anward: ANW-55452
Chembo Pharma: KB-176840
Sigma Aldrich (Building Blocks): 709638|ALDRICH, U6883|SIGMA
Tractus: TRA0005370...17 total

ref: mol2, SDF, SMILES, flexibase
-0.04,4.84,-44.06,2,4,0, 138.126, 2
mid: mol2, SDF, SMILES, flexibase
-0.04,2.94,-47.2,1,4,-1, 137.118, 2

Similar to: 33724437, 33843121, 33954689, 34633903, 38220270, ... 9 in total.
39952454
 
#76

American Custom Chemicals Corp.: CCH0003318
Anward: ANW-55419
Ark Pharm Building Blocks: AK-65932
BePharm Building Blocks: B206425
Key Organics Building Blocks: CE-0213...11 total

ref: mol2, SDF, SMILES, flexibase
1.70,5.34,-121.4,4,2,2, 192.306, 3
mid: mol2, SDF, SMILES, flexibase
1.70,3.98,-39.42,3,2,1, 191.298, 3
hi: mol2, SDF, SMILES, flexibase
1.70,4.2,-38.83,3,2,1, 191.298, 3

Similar to: 39020033, 39020034, 39952453,
39952453
 
#77

American Custom Chemicals Corp.: CCH0003448
Anward: ANW-55419
Ark Pharm Building Blocks: AK-65932
BePharm Building Blocks: B206425
Key Organics Building Blocks: CE-0213...11 total

ref: mol2, SDF, SMILES, flexibase
1.70,5.34,-121.42,4,2,2, 192.306, 3
mid: mol2, SDF, SMILES, flexibase
1.70,3.99,-38.31,3,2,1, 191.298, 3
hi: mol2, SDF, SMILES, flexibase
1.70,4.07,-38.23,3,2,1, 191.298, 3

Similar to: 39952454, 39020033, 39020034,
43827447
 
#78

Molport: MolPort-009-195-557
Anward: ANW-55392
Ark Pharm Building Blocks: AK-67246
BePharm Building Blocks: B207794
Key Organics Building Blocks: AE-0056...8 total

ref: mol2, SDF, SMILES, flexibase
3.56,6.34,-3.5,1,5,0, 381.026, 4
hi: mol2, SDF, SMILES, flexibase
3.75,4.91,-29.11,0,5,-1, 380.018, 4

Similar to: 34533491,
49946756
 
#79

eMolecules: 920622
Molport: MolPort-001-759-752
AK Scientific: 5595AC
Anward: ANW-55385
Ark Pharm Building Blocks: AK-67389...29 total

10157320
 
#80

ChemMol: 51504733
Molport: MolPort-001-760-631
Scientific Exchange (make on demand): F-165271
AK Scientific: 3454AC
AKOS: AKOS000273708...53 total

ref: mol2, SDF, SMILES, flexibase
1.52,3.12,-11.73,1,4,0, 218.256, 3
ref: mol2, SDF, SMILES, flexibase
1.52,3.07,-11.72,1,4,0, 218.256, 3
ref: mol2, SDF, SMILES, flexibase
0.80,3.05,-16.77,2,4,0, 218.256, 3
mid: mol2, SDF, SMILES, flexibase
1.26,1.83,-50.28,1,4,-1, 217.248, 3
mid: mol2, SDF, SMILES, flexibase
1.26,1.07,-8.84,2,4,0, 218.256, 3

Similar to: 13597181, 18167542, 31886471,
20247167
 
#81

American Custom Chemicals Corp.: CHM0090349
Anward: ANW-55155
Ark Pharm Building Blocks: AK-70826
BePharm Building Blocks: B201854
Matrix Scientific: 048035...5 total

ref: mol2, SDF, SMILES, flexibase
0.07,8,-43.52,1,3,1, 218.276, 2
mid: mol2, SDF, SMILES, flexibase
0.07,5.82,-8.92,0,3,0, 217.268, 2

Similar to: 34457589, 39120547,
40564506
 
#82

AK Scientific: 3212AA
Anward: ANW-55120
Ark Pharm Building Blocks: AK-71172
BePharm Building Blocks: B202149
Chembo Pharma: KB-248005...14 total

ref: mol2, SDF, SMILES, flexibase
1.33,5.84,-8.59,1,5,0, 269.054, 1
mid: mol2, SDF, SMILES, flexibase
2.63,4.6,-32.68,0,5,-1, 268.046, 1
84968976
 
#83

AK Scientific: 0668AB
Anward: ANW-55118
Ark Pharm Building Blocks: AK-71176
BePharm Building Blocks: B202154
Chembo Pharma: KB-229945...15 total

19171887
 
#84

Molport: MolPort-004-297-538
Aldrich CPR: CDS010661|ALDRICH
Anward: ANW-55089
Ark Pharm Building Blocks: AK-72769
BePharm Building Blocks: B44457...17 total

ref: mol2, SDF, SMILES, flexibase
-1.47,-2.15,-41.01,4,4,1, 146.214, 3
mid: mol2, SDF, SMILES, flexibase
-1.47,-2.9,-45.05,4,4,1, 146.214, 3
mid: mol2, SDF, SMILES, flexibase
-1.47,-2.7,-4.21,3,4,0, 145.206, 3
lo: mol2, SDF, SMILES, flexibase
-1.47,-0.5,-107.04,5,4,2, 147.222, 3
lo: mol2, SDF, SMILES, flexibase
-1.47,0.25,-112.09,5,4,2, 147.222, 3
lo: mol2, SDF, SMILES, flexibase
-1.47,-0.26,-34.67,4,4,1, 146.214, 3
45028270
 
#85

Anward: ANW-55023
Ark Pharm Building Blocks: AK-77947
BePharm Building Blocks: B224461
ref: mol2, SDF, SMILES, flexibase
2.31,4.32,-32.84,0,4,-1, 223.639, 3
mid: mol2, SDF, SMILES, flexibase
2.31,4.63,-6.17,1,4,0, 224.647, 3
lo: mol2, SDF, SMILES, flexibase
2.31,5.07,-33.36,2,4,1, 225.655, 3
49591411
 
#86

eMolecules: 920643
Molport: MolPort-001-759-767
AK Scientific: 8218AB
Aldrich CPR: CDS010767|ALDRICH
Angene Building Blocks: AGN-PC-0KKVRF...34 total

40845011
 
#87

Anward: ANW-54964
APIChem: AC-7233
Ark Pharm Building Blocks: AK-82425
BePharm Building Blocks: B159824
Matrix Scientific: 067084...6 total

ref: mol2, SDF, SMILES, flexibase
1.11,3.55,-51.69,3,6,1, 259.326, 4
mid: mol2, SDF, SMILES, flexibase
1.11,3.34,-8.26,2,6,0, 258.318, 4
49589996
 
#88

eMolecules: 933200
AK Scientific: 5409AA
Aldrich CPR: CDS002925|ALDRICH
Angene Building Blocks: AGN-PC-0PIQVJ
Anward: ANW-54948...32 total

29753846
 
#89

Anward: ANW-54750
Apollo Scientific: PC6361
Ark Pharm Building Blocks: AK-99887
BePharm Building Blocks: B196587
Key Organics Building Blocks: NC-0728...8 total

ref: mol2, SDF, SMILES, flexibase
2.50,5.2,-37.54,0,4,-1, 206.099, 2
lo: mol2, SDF, SMILES, flexibase
2.50,4.19,-10.9,1,4,0, 207.107, 2
4343026
 
#90

eMolecules: 8299744, 2721675
Molport: MolPort-004-948-934, MolPort-002-738-192
AK Scientific: X0355
Alinda Building Blocks: ALBB-008662
Anward: ANW-54635...37 total

ref: mol2, SDF, SMILES, flexibase
0.28,2.69,-9.27,1,7,0, 171.112, 3
ref: mol2, SDF, SMILES, flexibase
0.28,2.7,-14.62,1,7,0, 171.112, 3
mid: mol2, SDF, SMILES, flexibase
0.28,2.55,-31.13,0,7,-1, 170.104, 3
hi: mol2, SDF, SMILES, flexibase
0.28,2.53,-31.14,0,7,-1, 170.104, 3
35259490
 
#91

Molport: MolPort-002-500-020
AK Scientific: R096
Anward: ANW-54620
APIChem: AC-6754
Ark Pharm Building Blocks: AK-48345...23 total

mid: mol2, SDF, SMILES, flexibase
-3.36,1.96,-71.29,3,8,-1, 267.265, 7
55160902
 
#92

Anward: ANW-54407
APIChem: AC-9088
Ark Pharm Building Blocks: AK-94834
BePharm Building Blocks: B0714
BOC Sciences BB: 195528-88-2...9 total

84317007
 
#93

Molport: MolPort-019-879-019
AK Scientific: W5220, W3608, Z4926
Angene Building Blocks: AGN-PC-030EJ9
Anward: ANW-54362
Ark Pharm Building Blocks: AK151771...46 total

85488152
 
#94

Anward: ANW-54361
Chembo Pharma: KB-251649
Tractus: TRA0051875
ChemDB: 7645574
PubChem: 10084404...7 total

ref: mol2, SDF, SMILES, flexibase
-4.44,2.96,-64.68,6,6,0, 268.36, 7
hi: mol2, SDF, SMILES, flexibase
-4.44,2.57,-91.19,4,6,-2, 266.344, 7
hi: mol2, SDF, SMILES, flexibase
-4.44,2.89,-66.5,5,6,-1, 267.352, 7
85488149
 
#95

Anward: ANW-54307
Tractus: TRA0018421
PubChem: 53418398
ref: mol2, SDF, SMILES, flexibase
4.63,11.07,-52.89,0,5,-1, 346.447, 5
lo: mol2, SDF, SMILES, flexibase
4.63,8.99,-12.99,1,5,0, 347.455, 5
85488145
 
#96

Anward: ANW-54306
Tractus: TRA0018419
PubChem: 53418397
ref: mol2, SDF, SMILES, flexibase
4.43,10.68,-52.78,0,5,-1, 332.42, 5
lo: mol2, SDF, SMILES, flexibase
4.43,8.59,-13.06,1,5,0, 333.428, 5
85488139
 
#97

Anward: ANW-54305
Tractus: TRA0016199
PubChem: 53418396
SureChEMBL: SCHEMBL13365088
ref: mol2, SDF, SMILES, flexibase
3.84,9.84,-48.94,0,5,-1, 318.393, 5
lo: mol2, SDF, SMILES, flexibase
3.84,7.86,-11.48,1,5,0, 319.401, 5
84462357
 
#98

Acros Organics: 37979
AK Scientific: X5709
Anward: ANW-54285
Ark Pharm Building Blocks: AK-94088
BePharm Building Blocks: B88144...46 total

85488137
 
#99

Anward: ANW-54243
PubChem: 68996764
SureChEMBL: SCHEMBL4308439
ref: mol2, SDF, SMILES, flexibase
2.46,8.54,-21.67,0,5,0, 383.469, 5
84597550
 
#100

eMolecules: 1012581, 514116
Molport: MolPort-001-768-421
A&J Pharmtech: AJ-02987
Acros Organics: AC13366, 13366
ACT Chemical BB: ACT02175...117 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 = 690 ) limit 0,100

Smiles were