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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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38387
 
#1

eMolecules: 635929
Scientific Exchange: POD_07/0759
AK Scientific: 4813AB
AKOS: AKOS000269552
Alinda: IBS-L0007995...51 total

ref: mol2, SDF, SMILES, flexibase
1.35,4.65,-48.58,1,4,-1, 206.221, 4

Similar to: 39297670,
19735724
 
#2

Molport: MolPort-002-023-865
AK Scientific: 0491AF
AKOS: AKOS000270742
Asinex: BAS12790847
Asinex Building Blocks: BAS12790847...29 total

ref: mol2, SDF, SMILES, flexibase
-0.02,2.52,-93.04,4,3,2, 173.304, 3
mid: mol2, SDF, SMILES, flexibase
-0.02,2,-119.91,4,3,2, 173.304, 3
mid: mol2, SDF, SMILES, flexibase
-0.02,0.05,-39.33,3,3,1, 172.296, 3

Similar to: 34355642, 34355644, 34355650, 34355652, 34641795, ... 11 in total.
6066972
 
#3

eMolecules: 207116598
AKOS: AKOS000273374
Innovapharm: STT-00228749
Innovapharm Building Blocks: BBS-00009117
Life Chemicals: F3098-5965...17 total

ref: mol2, SDF, SMILES, flexibase
2.56,-0.14,-15.23,1,6,0, 334.445, 8

Similar to: 35455557,
28144
 
#4

eMolecules: 833653
Scientific Exchange (make on demand): POD_01/0089
AK Scientific: 2084AE
AKOS: AKOS000200590
Aldrich CPR: S527920|ALDRICH...64 total

ref: mol2, SDF, SMILES, flexibase
2.56,10.13,-59.98,0,5,-1, 294.286, 4

Similar to: 35899551, 28143,
64954
 
#5

eMolecules: 1876459
AK Scientific: 1164AF
AKOS: AKOS000115293
Alinda: IVK/9370773
Alinda Building Blocks: ALBB-008524...37 total

ref: mol2, SDF, SMILES, flexibase
1.86,5.02,-15.27,1,3,0, 229.066, 2

Similar to: 6328424, 36983063, 44813521, 44813524, ... 4 in total.
19772776
 
#6

eMolecules: 628792
Scientific Exchange (make on demand): M-167590
AKOS: AKOS000267525
Aldrich CPR: R412678|ALDRICH
Asinex: BAS02916292...27 total

ref: mol2, SDF, SMILES, flexibase
2.60,9.02,-59,0,5,-1, 360.798, 4

Similar to: 4158696, 14292237,
18180432
 
#7

eMolecules: 628694
Scientific Exchange (make on demand): M-167587
AKOS: AKOS000267524
Aldrich CPR: R411965|ALDRICH
Alinda Building Blocks: ALBB-028713...35 total

ref: mol2, SDF, SMILES, flexibase
1.92,9.51,-54.6,0,5,-1, 326.353, 4
19733180
 
#8

eMolecules: 622565
Scientific Exchange (make on demand): M-167588
AKOS: AKOS000267615
Aldrich CPR: R357138|ALDRICH
Asinex: BAS00786916...36 total

ref: mol2, SDF, SMILES, flexibase
2.37,10.19,-54.46,0,5,-1, 340.38, 4
ref: mol2, SDF, SMILES, flexibase
3.87,6.08,-55.05,2,5,-1, 340.38, 4
hi: mol2, SDF, SMILES, flexibase
3.87,6.84,-121.96,1,5,-2, 339.372, 4
hi: mol2, SDF, SMILES, flexibase
3.87,6.84,-114.25,1,5,-2, 339.372, 4

Similar to: 16899515,
467422
 
#9

eMolecules: 642909, 2458879
Molport: MolPort-000-871-334, MolPort-002-252-817
Scientific Exchange (make on demand): X-035294, M-171593
AKOS: AKOS000348103, AKOS000268553
Aldrich CPR: R518565|ALDRICH...49 total

ref: mol2, SDF, SMILES, flexibase
1.84,7.14,-11.52,1,6,0, 307.375, 6
mid: mol2, SDF, SMILES, flexibase
2.57,7.24,-43.7,0,6,-1, 306.367, 6
18156364
 
#10

eMolecules: 1233429
Scientific Exchange: X-016639
Scientific Exchange (make on demand): POD_70/0495
AK Scientific: 6628AD
AKOS: AKOS000300976...46 total

ref: mol2, SDF, SMILES, flexibase
-0.04,3.44,-50.48,1,5,-1, 199.211, 4
lo: mol2, SDF, SMILES, flexibase
-0.04,1.47,-13.59,2,5,0, 200.219, 4
33305
 
#11

Scientific Exchange: T-018096
AKOS: AKOS000123186
Aldrich CPR: CDS011717|ALDRICH
BioBlocks: A1905/0080022
Chembo Pharma: KB-108920...27 total

ref: mol2, SDF, SMILES, flexibase
2.40,5.61,-47.66,0,5,-1, 282.341, 3

Similar to: 33306, 416479, 416480, 466904, 6526665, ... 12 in total.
33306
 
#12

Scientific Exchange: T-018096
AKOS: AKOS000123186
Aldrich CPR: CDS011717|ALDRICH
BioBlocks: A1905/0080022
Chembo Pharma: KB-108920...27 total

ref: mol2, SDF, SMILES, flexibase
2.40,5.61,-47.67,0,5,-1, 282.341, 3

Similar to: 416479, 416480, 466904, 6526665, 11848434, ... 11 in total.
19593540
 
#13

ChemMol: 83603207
eMolecules: 828554
Scientific Exchange (make on demand): M-919738
AKOS: AKOS003194676, AKOS000267892
Aldrich CPR: CDS003016|ALDRICH...51 total

ref: mol2, SDF, SMILES, flexibase
2.32,4.83,-47.79,1,4,-1, 229.137, 2
19735184
 
#14

eMolecules: 1411452, 42800822, 31661503
Molport: MolPort-016-899-381
AKOS: AKOS000300064
Aldrich CPR: CDS016087|ALDRICH
Asinex: BAS03014652...45 total

ref: mol2, SDF, SMILES, flexibase
2.08,3.33,-105.16,0,6,-2, 263.278, 3

Similar to: 8955479,
19681634
 
#15

eMolecules: 1411468
Molport: MolPort-001-987-146
AK Scientific: 5448AE
AKOS: AKOS000269273
Aldrich CPR: CDS018597|ALDRICH...40 total

ref: mol2, SDF, SMILES, flexibase
2.06,4.71,-49.84,1,5,-1, 269.327, 3
hi: mol2, SDF, SMILES, flexibase
2.52,3.39,-104.36,0,5,-2, 268.319, 3

Similar to: 57834783, 57836116,
18046344
 
#16

eMolecules: 4691823, 30354507, 1395895
Molport: MolPort-002-507-824
AKOS: AKOS000296933
Asinex: BAS02714405
BioBlocks: A2155/0090511...33 total

ref: mol2, SDF, SMILES, flexibase
2.43,3.59,-110.55,0,5,-2, 248.263, 4
mid: mol2, SDF, SMILES, flexibase
1.98,5.52,-45.53,1,5,-1, 249.271, 4
hi: mol2, SDF, SMILES, flexibase
1.98,4.97,-59.95,1,5,-1, 249.271, 4

Similar to: 8762778,
113970
 
#17

eMolecules: 1190413
AKOS: AKOS000267321
Angene Building Blocks: AGN-PC-0R54GK
Anward: ANW-26663
BioBlocks: A0437/0020254...47 total

ref: mol2, SDF, SMILES, flexibase
1.86,-1.17,-47.35,0,4,-1, 253.328, 3

Similar to: 57833530, 57834801,
19229894
 
#18

ChemBridge: 6131628
ChemBridge BuildingBlocks: 3013969
Matrix Scientific: 007829
Princeton BioMolecular Research: OSSL_108760
Vitas-M: STK411136...7 total

ref: mol2, SDF, SMILES, flexibase
3.37,7.85,-59.39,1,3,0, 241.29, 1

Similar to: 21816899, 41656162, 41656168,
19229893
 
#19

ChemBridge: 6131628
ChemBridge BuildingBlocks: 3013969
Matrix Scientific: 007829
Princeton BioMolecular Research: OSSL_108760
Vitas-M: STK411136...7 total

ref: mol2, SDF, SMILES, flexibase
3.37,7.86,-59.4,1,3,0, 241.29, 1

Similar to: 41656162, 41656168,
198793
 
#20

eMolecules: 526741
AK Scientific: 1009AE
AKOS: AKOS000114786
Alinda: IVK/6124229
Alinda Building Blocks: ALBB-000951...50 total

ref: mol2, SDF, SMILES, flexibase
3.46,0.31,-45.47,0,2,-1, 229.639, 1

Similar to: 39295176, 58234991,
176157
 
#21

eMolecules: 904614
Scientific Exchange (make on demand): X-063159
AKOS: AKOS000113955
Alinda: IVK/6184952
Alinda Building Blocks: ALBB-000952...57 total

ref: mol2, SDF, SMILES, flexibase
3.98,7.49,-43.58,0,2,-1, 246.094, 1

Similar to: 58234922, 58234957, 58234987,
4201707
 
#22

eMolecules: 441155
Molport: MolPort-003-787-522
Scientific Exchange Building Blocks: F-367377
AK Scientific: HTS000241, HTS008609
AKOS: AKOS000189117...30 total

ref: mol2, SDF, SMILES, flexibase
1.11,2.1,-48.23,4,3,1, 179.243, 2

Similar to: 4201698,
4201697
 
#23

eMolecules: 441125
Molport: MolPort-003-787-518
Scientific Exchange (make on demand): F-367374
AK Scientific: 5390AE
AKOS: AKOS000182384...29 total

ref: mol2, SDF, SMILES, flexibase
0.74,1.57,-48.27,4,3,1, 165.216, 2

Similar to: 4201702, 5160732, 34979741, 37042483, ... 4 in total.
2774247
 
#24

eMolecules: 440571
Molport: MolPort-000-869-439
AKOS: AKOS000122302
Asinex: BAS17207651
Asinex Building Blocks: BAS17207651...39 total

ref: mol2, SDF, SMILES, flexibase
1.61,3.65,-52.47,1,4,-1, 212.612, 3

Similar to: 37006999,
123858
 
#25

eMolecules: 440495
Scientific Exchange (make on demand): H-041726
AKOS: AKOS000106186
Alinda Building Blocks: ALBB-012939
ChemDiv BuildingBlocks: BB55-6896...43 total

ref: mol2, SDF, SMILES, flexibase
2.80,0.06,-56.58,1,5,-1, 270.264, 4

Similar to: 40178932,
2454766
 
#26

eMolecules: 440281
Scientific Exchange (make on demand): H-095832
Aldrich CPR: PH010115|ALDRICH
ChemBridge: 7449927
Enamine: Z56884350...26 total

ref: mol2, SDF, SMILES, flexibase
0.62,4.97,-47.61,1,4,-1, 228.227, 3
144804
 
#27

eMolecules: 440275
Scientific Exchange (make on demand): Z-021383
AK Scientific: 9258AE
AKOS: AKOS000114532
Aldrich CPR: OTV000038|ALDRICH...54 total

ref: mol2, SDF, SMILES, flexibase
0.75,3.74,-41.94,1,4,-1, 247.057, 3

Similar to: 37993274,
967842
 
#28

eMolecules: 440229
Enolase via KEGG (EFI): C11491_2
Molport: MolPort-000-889-514
Scientific Exchange (make on demand): M-230835
AK Scientific: 8020AC...46 total

ref: mol2, SDF, SMILES, flexibase
2.79,1.3,-49.76,0,3,-1, 215.228, 3

Similar to: 39282554, 39282555,
967843
 
#29

eMolecules: 440229
Enolase via KEGG (EFI): C11491_1
Molport: MolPort-000-889-514
Scientific Exchange (make on demand): M-230835
AK Scientific: 8020AC...45 total

ref: mol2, SDF, SMILES, flexibase
2.79,1.3,-49.82,0,3,-1, 215.228, 3

Similar to: 39282554, 39282555,
73856
 
#30

eMolecules: 440227
Molport: MolPort-000-889-513
Scientific Exchange (make on demand): M-368542
AK Scientific: S837
AKOS: AKOS000101752...46 total

ref: mol2, SDF, SMILES, flexibase
2.76,1.37,-51.07,0,3,-1, 215.228, 3

Similar to: 39282552, 39282553,
73860
 
#31

eMolecules: 440227
Molport: MolPort-000-889-513
Scientific Exchange (make on demand): M-368542
AK Scientific: S837
AKOS: AKOS000101752...46 total

ref: mol2, SDF, SMILES, flexibase
2.76,1.36,-51.16,0,3,-1, 215.228, 3

Similar to: 39282552, 39282553,
127966
 
#32

eMolecules: 439949
Scientific Exchange (make on demand): X-046556
AK Scientific: 3710AE
AKOS: AKOS000121701
Alinda Building Blocks: ALBB-006615...54 total

ref: mol2, SDF, SMILES, flexibase
3.80,1.12,-48.82,0,3,-1, 266.251, 2

Similar to: 5896217, 6528058, 33716643, 41655861, ... 4 in total.
6133367
 
#33

eMolecules: 2543617
AKOS: AKOS000273737
ChemBridge: 9041291
Innovapharm: STT-00237972
Innovapharm Building Blocks: BBS-00009485...21 total

ref: mol2, SDF, SMILES, flexibase
2.07,-3.78,-10.02,3,5,0, 250.327, 6

Similar to: 6133600, 6090672,
966954
 
#34

eMolecules: 25902420
AKOS: AKOS000272795
ChemBridge: 6142723
IBScreen: STOCK1S-73958
Innovapharm: STT-00173655...25 total

ref: mol2, SDF, SMILES, flexibase
1.57,-1.77,-55.24,0,6,-1, 350.397, 5

Similar to: 1166056, 4802515, 5376046,
11617480
 
#35

Molport: MolPort-003-012-953
AKOS: AKOS000272850
Ark Pharm Building Blocks: AK-98103
Chembo Pharma: KB-249784
ChemBridge BuildingBlocks: 5867144...17 total

ref: mol2, SDF, SMILES, flexibase
1.92,6.25,-59.9,0,5,-1, 233.199, 3

Similar to: 33809753, 33810585, 34222323, 34334788, 34334790, ... 7 in total.
19201113
 
#36

AKOS: AKOS000156133
Asinex: ASN16454882
Asinex Building Blocks: BAS16454882
Innovapharm: STT-00286464
Innovapharm Building Blocks: BBS-00008310...22 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.98,-115.7,4,3,2, 235.375, 4
mid: mol2, SDF, SMILES, flexibase
1.00,2.6,-46.24,3,3,1, 234.367, 4

Similar to: 32087008, 32087010, 36170681, 36170682, 36984025, ... 19 in total.
11847633
 
#37

eMolecules: 7914324
Molport: MolPort-003-761-524
AKOS: AKOS000272875
Aldrich CPR: OTV000010|ALDRICH
ChemBridge: 9154086...22 total

ref: mol2, SDF, SMILES, flexibase
0.81,-0.07,-50.54,1,6,-1, 280.3, 7

Similar to: 37788438, 37788439, 37794693, 37794694, 37796380, ... 9 in total.
6189974
 
#38

AKOS: AKOS000124711
Aldrich CPR: OTV000037|ALDRICH
Ark Pharm Building Blocks: AK108245
BOC Sciences BB: 104295-97-8
ChemBridge BuildingBlocks: 6878260...27 total

ref: mol2, SDF, SMILES, flexibase
2.44,2.02,-49.7,0,3,-1, 193.222, 3
19334236
 
#39

ChemMol: 83600659, 44026528, 97804849, 44019909, 42303174
Molport: MolPort-021-795-622
Scientific Exchange (make on demand): M-316769
AKOS: AKOS000125740
Alfa-Aesar: H61993...94 total

ref: mol2, SDF, SMILES, flexibase
1.20,3.5,-41.98,2,2,1, 195.261, 2
hi: mol2, SDF, SMILES, flexibase
1.20,2.09,-3.04,1,2,0, 194.253, 2

Similar to: 19933495, 32110660, 32118220, 34480585, 39318907, ... 6 in total.
19555423
 
#40

ChemMol: 44026522
Molport: MolPort-003-991-107
Scientific Exchange (make on demand): T-097237
Scientific Exchange Building Blocks: M-316772
AK Scientific: 7435AD...81 total

ref: mol2, SDF, SMILES, flexibase
1.09,2.92,-39.98,2,3,1, 207.297, 3
hi: mol2, SDF, SMILES, flexibase
1.09,1.56,-3.85,1,3,0, 206.289, 3

Similar to: 19933505, 32116074, 32118265, 32128420, 32128452, ... 8 in total.
19370533
 
#41

ChemMol: 44026519, 42303170, 1036346
Scientific Exchange (make on demand): K-089370
Acros Organics: 39195
AK Scientific: 6013AB
AKOS: AKOS000198972...102 total

ref: mol2, SDF, SMILES, flexibase
1.72,4.14,-39.8,2,2,1, 211.716, 2
hi: mol2, SDF, SMILES, flexibase
1.72,2.78,-2.43,1,2,0, 210.708, 2

Similar to: 19933501, 31284358, 32121418, 39318905, 39642273, ... 7 in total.
19362182
 
#42

eMolecules: 527252
AK Scientific: 8388AC, 2781AE
AKOS: AKOS000198973
Alfa-Aesar: H55398
Alinda Building Blocks: ALBB-000383...63 total

ref: mol2, SDF, SMILES, flexibase
2.20,6.01,-41.97,2,2,1, 227.331, 2
hi: mol2, SDF, SMILES, flexibase
2.20,4.61,-4,1,2,0, 226.323, 2

Similar to: 39975202, 7612937,
19399947
 
#43

Molport: MolPort-020-003-765
Scientific Exchange (make on demand): E-023611, X-094375
AK Scientific: 5285AC, V6306
Alfa-Aesar: H55145
Alinda: IVK/0057521...54 total

ref: mol2, SDF, SMILES, flexibase
1.85,4.06,-41.17,2,2,1, 256.167, 2
hi: mol2, SDF, SMILES, flexibase
1.85,2.65,-2.47,1,2,0, 255.159, 2

Similar to: 32116314, 39971521, 1726789,
19735594
 
#44

Molport: MolPort-005-568-989, MolPort-001-996-608
Asinex: BAS04392071
Asinex Building Blocks: BAS04392071
Chemical Block: A2695/0114756
Innovapharm Building Blocks: BBS-00008278...10 total

ref: mol2, SDF, SMILES, flexibase
2.55,4.77,-38.04,3,3,1, 237.367, 3
12350055
 
#45

ChemMol: 30110511, 83600198
eMolecules: 912292, 916975
AK Scientific: 9971AC, W5581
AKOS: AKOS000300261, AKOS000273699
Aldrich CPR: JRD0192|ALDRICH...111 total

ref: mol2, SDF, SMILES, flexibase
-0.63,5.87,-67.81,1,4,-1, 206.152, 1
mid: mol2, SDF, SMILES, flexibase
-0.63,3.87,-18.78,2,4,0, 207.16, 1
lo: mol2, SDF, SMILES, flexibase
0.67,4.62,-124.07,0,4,-2, 205.144, 1
lo: mol2, SDF, SMILES, flexibase
-0.63,5.05,-30.03,2,4,0, 207.16, 1

Similar to: 33979199, 36753192, 39020415, 39283117, 39289378, ... 8 in total.
166792
 
#46

eMolecules: 440131
Molport: MolPort-000-871-797
Scientific Exchange: SB_01/B135
Scientific Exchange (make on demand): POD_27/0017
AK Scientific: 6802AD...54 total

ref: mol2, SDF, SMILES, flexibase
3.01,-0.47,-11.83,1,2,0, 238.501, 2

Similar to: 34441840,
1586538
 
#47

eMolecules: 440139
Molport: MolPort-000-869-420
Scientific Exchange (make on demand): Z-042984
AK Scientific: 7634AD
AKOS: AKOS000266799...47 total

ref: mol2, SDF, SMILES, flexibase
3.01,-0.33,-8.14,1,2,0, 238.501, 2

Similar to: 6224129,
162846
 
#48

eMolecules: 440133
AK Scientific: 0592AE
AKOS: AKOS000276298
Aldrich CPR: S188891|ALDRICH, S718033|ALDRICH
Alinda: IVK/8046245...56 total

ref: mol2, SDF, SMILES, flexibase
2.98,-0.31,-7.49,1,2,0, 238.501, 2

Similar to: 6224129,
11535697
 
#49

ChemMol: 30107518
eMolecules: 812071
Scientific Exchange: L03/251
Scientific Exchange (make on demand): K-020933
AK Scientific: I393...81 total

ref: mol2, SDF, SMILES, flexibase
1.43,3.56,-6.06,2,2,0, 158.204, 0
lo: mol2, SDF, SMILES, flexibase
1.43,4.01,-25.88,3,2,1, 159.212, 0

Similar to: 26507281, 34638678,
35833
 
#50

eMolecules: 439957
Molport: MolPort-004-952-552
Scientific Exchange: K-042937
Scientific Exchange (make on demand): X-063654, Q-052687
AK Scientific: 6890AD...68 total

ref: mol2, SDF, SMILES, flexibase
4.08,0.7,-52.12,0,3,-1, 262.288, 2

Similar to: 125047, 160869, 2556027, 3844853, 31997548, ... 9 in total.
144558
 
#51

eMolecules: 1868435
AKOS: AKOS000273212
ChemBridge: 6920234
Innovapharm: STT-00221034
Innovapharm Building Blocks: BBS-00008827...22 total

ref: mol2, SDF, SMILES, flexibase
3.89,9.57,-67.91,1,5,-1, 312.345, 5

Similar to: 40868507,
17744426
 
#52

ChemMol: 51501566, 97801469
eMolecules: 828977, 1481614
Scientific Exchange (make on demand): POD_88/0066
AK Scientific: 1077AE, 6556AA, 4232AB
AKOS: AKOS000268309...105 total

ref: mol2, SDF, SMILES, flexibase
0.21,5.8,-68.88,1,4,-1, 188.162, 1
mid: mol2, SDF, SMILES, flexibase
0.21,4.98,-29.28,2,4,0, 189.17, 1
mid: mol2, SDF, SMILES, flexibase
1.51,4.55,-129.86,0,4,-2, 187.154, 1
lo: mol2, SDF, SMILES, flexibase
1.51,3.95,-39.88,2,4,0, 189.17, 1

Similar to: 34611741, 36456667, 39121349,
170053
 
#53

ChemMol: 42302171, 97603011, 44016351
eMolecules: 704460, 32443788
Molport: MolPort-016-636-336
Scientific Exchange (make on demand): E-021191
ACB Blocks: BAA-0097...94 total

ref: mol2, SDF, SMILES, flexibase
-1.17,-2.53,-46.18,3,5,0, 209.201, 3

Similar to: 2387383, 2586166, 2586221, 2597535, 2597538, ... 15 in total.
12374200
 
#54

AKOS: AKOS000273458
Innovapharm: STT-00228699
Innovapharm Building Blocks: BBS-00009105
Mcule: MCULE-9686828673
Otava: 7014610433...8 total

ref: mol2, SDF, SMILES, flexibase
4.30,10.38,-16.42,2,5,0, 389.908, 9

Similar to: 33734175, 33734179, 33734300, 33739935, 33739936, ... 6 in total.
17920988
 
#55

eMolecules: 608547, 827099
Scientific Exchange (make on demand): Z-002194, C-054157, M-265072
AKOS: AKOS003268859, AKOS000265156
Aldrich CPR: R153869|ALDRICH
Alinda: IBS-L0002100...71 total

ref: mol2, SDF, SMILES, flexibase
1.92,5.25,-12.51,1,3,0, 206.27, 0

Similar to: 39296817, 39590850,
19791915
 
#56

eMolecules: 1427396
AKOS: AKOS000273230
Aldrich CPR: CDS017662|ALDRICH
Asinex: BAS03309372
ChemDiv: 4358-1266...21 total

ref: mol2, SDF, SMILES, flexibase
1.26,6.24,-51.93,2,4,1, 273.356, 3
123594
 
#57

eMolecules: 1073821
Scientific Exchange (make on demand): Z-014766
AK Scientific: 5918AD
AKOS: AKOS000272723
Aldrich CPR: S701092|ALDRICH...47 total

ref: mol2, SDF, SMILES, flexibase
1.58,4.5,-46.87,1,4,-1, 226.639, 4

Similar to: 6092968, 6437629, 34639085, 39368435, ... 4 in total.
4042684
 
#58

eMolecules: 207116815
AKOS: AKOS000273203
Innovapharm: STT-00220723
Innovapharm Building Blocks: BBS-00008825
Life Chemicals: F3285-1416...15 total

ref: mol2, SDF, SMILES, flexibase
5.15,-0.75,-54.5,1,5,-1, 391.259, 5

Similar to: 5861873, 11992047,
6677963
 
#59

eMolecules: 903248
AKOS: AKOS000276407
Aldrich CPR: JRD0081|ALDRICH
Asinex: BAS14036298
Asinex Building Blocks: BAS14036298...36 total

ref: mol2, SDF, SMILES, flexibase
2.03,1.84,-42.4,0,4,-1, 219.195, 2
8926573
 
#60

Apollo Scientific: PC3627
Asinex: BAS02168020
ChemBridge BuildingBlocks: 6157653
Key Organics Building Blocks: 9T-0233
Otava: 7018670072...7 total

ref: mol2, SDF, SMILES, flexibase
0.67,2.67,-46.82,1,4,-1, 206.152, 1

Similar to: 41718698,
5483407
 
#61

eMolecules: 207116572
AKOS: AKOS000273491
Innovapharm: STT-00228739
Innovapharm Building Blocks: BBS-00009113
Life Chemicals: F3098-5954...16 total

ref: mol2, SDF, SMILES, flexibase
2.33,-0.16,-21.74,1,6,0, 354.435, 7
1871357
 
#62

eMolecules: 859793
AKOS: AKOS000200772
Chembo Pharma: KB-237661
Enamine Building Blocks: EN300-27788
Innovapharm: STT-00219100...25 total

ref: mol2, SDF, SMILES, flexibase
2.18,1.15,-47.22,0,3,-1, 193.222, 5

Similar to: 32105335, 32133114, 37116955,
12363277
 
#63

eMolecules: 833659
AK Scientific: 4068AD
AKOS: AKOS000114602
Ark Pharm Building Blocks: AK-58831
Asinex: BAS09618957...47 total

ref: mol2, SDF, SMILES, flexibase
-0.67,5.2,-56.14,0,5,-1, 210.209, 2
ref: mol2, SDF, SMILES, flexibase
-0.67,5.11,-51.37,0,5,-1, 210.209, 2

Similar to: 36884957,
1748073
 
#64

eMolecules: 1852327
AKOS: AKOS000272666
ChemBridge: 7113132
Innovapharm: STT-00208485
Innovapharm Building Blocks: BBS-00008596...20 total

ref: mol2, SDF, SMILES, flexibase
3.23,8.15,-68.88,1,5,-1, 298.318, 7

Similar to: 13094630, 13094949, 31948292,
500059
 
#65

ChemMol: 44024457
eMolecules: 441451
Molport: MolPort-000-871-827
Scientific Exchange (make on demand): M-978939
AK Scientific: W8351...65 total

ref: mol2, SDF, SMILES, flexibase
-1.15,-6.53,-9.59,3,5,0, 138.13, 1

Similar to: 6584861,
3886925
 
#66

eMolecules: 1800862, 2267281
Molport: MolPort-002-465-407, MolPort-002-097-466
AKOS: AKOS000117026
Aldrich CPR: CDS012850|ALDRICH
Chembo Pharma: KB-123690...35 total

ref: mol2, SDF, SMILES, flexibase
1.70,5.54,-51.82,0,3,-1, 238.313, 3

Similar to: 25497767, 25497787, 36173122, 36175061, ... 4 in total.
8955479
 
#67

Asinex: BAS03014652
TimTec BB Make on Demand: SBB007403
Fluorochem (Depleted): 027504
ref: mol2, SDF, SMILES, flexibase
2.08,-4.49,-55.7,1,6,-1, 264.286, 3

Similar to: 19735184,
8666451
 
#68

ChemMol: 44021378, 97804773
eMolecules: 2180202, 684300
Molport: MolPort-002-088-612
AK Scientific: 4517AB
AKOS: AKOS000272798...50 total

ref: mol2, SDF, SMILES, flexibase
2.63,6.25,-12.93,1,3,0, 246.266, 1
hi: mol2, SDF, SMILES, flexibase
3.09,4.41,-41.58,0,3,-1, 245.258, 1

Similar to: 36222631,
1870907
 
#69

eMolecules: 829478
AKOS: AKOS000266794
Enamine: Z56895343
Innovapharm: STT-00031158
Innovapharm Building Blocks: BBS-00000690...24 total

ref: mol2, SDF, SMILES, flexibase
-0.97,-1.54,-53.9,0,4,-1, 264.373, 5
4514625
 
#70

eMolecules: 207122129
AKOS: AKOS000273329
Innovapharm: STT-00006651
Innovapharm Building Blocks: BBS-00009278
Mcule: MCULE-1451956902...23 total

ref: mol2, SDF, SMILES, flexibase
2.75,0.56,-62.33,1,4,-1, 246.286, 6

Similar to: 1671522,
5686833
 
#71

eMolecules: 207121724
AKOS: AKOS000273454
Enamine: Z49851936
Innovapharm: STT-00230403
Innovapharm Building Blocks: BBS-00009156...16 total

ref: mol2, SDF, SMILES, flexibase
1.94,-0.4,-12.02,1,4,0, 246.339, 3

Similar to: 35787725, 35787731, 35787745, 38588433, 38588550, ... 6 in total.
12955696
 
#72

ChemMol: 96708269, 44027214
eMolecules: 2872745
Molport: MolPort-002-471-795
ACT Chemical BB: ACT06716
AK Scientific: X7046...59 total

ref: mol2, SDF, SMILES, flexibase
1.31,0.3,-42.63,1,4,-1, 206.099, 2

Similar to: 44224889,
13571275
 
#73

AKOS: AKOS000273109
Asinex: BAS03752851
Chembo Pharma: KB-99309
Enamine: Z56924442
Enamine Building Blocks: EN300-17383...30 total

ref: mol2, SDF, SMILES, flexibase
2.92,6.86,-13.33,1,3,0, 242.303, 1

Similar to: 36222630, 36222662, 8680753,
19862880
 
#74

ChemMol: 51500209
eMolecules: 830414
AK Scientific: V4657
AKOS: AKOS000267003
Alfa-Aesar: H61772...50 total

ref: mol2, SDF, SMILES, flexibase
-1.58,-1.8,-42.3,2,5,-1, 252.069, 1
7952232
 
#75

Scientific Exchange (make on demand): F-178861
Aldrich CPR: OTV000247|ALDRICH
Innovapharm Building Blocks: BBS-00009718
Mcule: MCULE-3472979812
Molport BB: MolPort-000-679-638...13 total

ref: mol2, SDF, SMILES, flexibase
3.68,0.61,-44.04,0,5,-1, 314.704, 3
139072
 
#76

eMolecules: 633905
AKOS: AKOS000114913
Aldrich CPR: R448656|ALDRICH
Chembo Pharma: KB-123481
Enamine: Z45557492...35 total

ref: mol2, SDF, SMILES, flexibase
0.87,-2.9,-59.36,0,5,-1, 330.385, 3

Similar to: 3886980, 3886981, 36464666,
5833415
 
#77

eMolecules: 2542459
AKOS: AKOS000273723
ChemBridge: 9036894
Innovapharm: STT-00285851
Innovapharm Building Blocks: BBS-00009482...21 total

ref: mol2, SDF, SMILES, flexibase
3.50,-2.74,-9.1,3,5,0, 292.408, 6
19093539
 
#78

eMolecules: 26403045, 755770, 32264895, 36504843
Molport: MolPort-004-907-356, MolPort-001-830-747, MolPort-019-909-749, MolPort-002-510-618
Scientific Exchange (make on demand): POD_72/0652
AKOS: AKOS000301207
Alinda Building Blocks: ALBB-027197...103 total

ref: mol2, SDF, SMILES, flexibase
-2.22,2.08,-56.86,3,5,0, 167.168, 1
mid: mol2, SDF, SMILES, flexibase
-2.22,2.44,-83.77,4,5,1, 168.176, 1
hi: mol2, SDF, SMILES, flexibase
-2.22,1.61,-45.68,2,5,-1, 166.16, 1

Similar to: 32240376, 32240378, 34418275, 34519137, 34519138, ... 6 in total.
131810
 
#79

eMolecules: 1874301
AKOS: AKOS000211622
Aldrich CPR: OTV000062|ALDRICH
Innovapharm: STT-00224880
Innovapharm Building Blocks: BBS-00008978...23 total

ref: mol2, SDF, SMILES, flexibase
2.51,-0.77,-10.3,2,3,0, 231.226, 2

Similar to: 6340652, 40179015, 40179115, 41722184, ... 4 in total.
11847628
 
#80

eMolecules: 8076725
Molport: MolPort-003-761-522
AKOS: AKOS000272865
Aldrich CPR: OTV000258|ALDRICH
ChemBridge: 9155333...22 total

ref: mol2, SDF, SMILES, flexibase
2.08,0.06,-47.44,1,4,-1, 248.302, 6

Similar to: 11847629, 32123040, 32217065, 32217068, 37788422, ... 12 in total.
139076
 
#81

eMolecules: 633905
AKOS: AKOS000114913
Aldrich CPR: R448656|ALDRICH
Chembo Pharma: KB-123481
Enamine: Z45557492...37 total

ref: mol2, SDF, SMILES, flexibase
0.87,-2.88,-59.87,0,5,-1, 330.385, 3

Similar to: 3886980, 3886981, 34542184, 36464666, ... 4 in total.
152957
 
#82

eMolecules: 45490398
Molport: MolPort-000-871-675
Scientific Exchange (make on demand): T-095782
AK Scientific: HTS007627
AKOS: AKOS000268703...48 total

ref: mol2, SDF, SMILES, flexibase
1.76,2.72,-9.9,1,4,0, 229.663, 4

Similar to: 1713225,
966847
 
#83

eMolecules: 1852151
AKOS: AKOS000272797
ChemBridge: 5140308
IBScreen: STOCK2S-10649
Innovapharm: STT-00008584...31 total

ref: mol2, SDF, SMILES, flexibase
1.18,-3.45,-50.38,1,6,-1, 333.37, 3
4042683
 
#84

eMolecules: 207113865
AKOS: AKOS000273192
Innovapharm: STT-00220722
Innovapharm Building Blocks: BBS-00008824
Life Chemicals: F3111-1875...15 total

ref: mol2, SDF, SMILES, flexibase
2.85,-0.27,-58.74,1,7,-1, 332.361, 8
5445043
 
#85

AKOS: AKOS000273485
Innovapharm: STT-00228738
Innovapharm Building Blocks: BBS-00009112
Mcule: MCULE-5626308280
Molport BB: MolPort-000-670-498...15 total

ref: mol2, SDF, SMILES, flexibase
2.99,-0.15,-15.16,1,6,0, 382.489, 8
19369241
 
#86

eMolecules: 932590, 31410992
Molport: MolPort-016-634-281, MolPort-001-760-158
AKOS: AKOS000256879
Aldrich CPR: CDS006464|ALDRICH
Asinex Building Blocks: BAS09615101...54 total

ref: mol2, SDF, SMILES, flexibase
-0.70,2.41,-45.56,3,3,1, 207.297, 3
hi: mol2, SDF, SMILES, flexibase
-0.70,2.13,-3.05,2,3,0, 206.289, 3

Similar to: 34679388, 34679389, 36769630, 36769631, 36769724, ... 51 in total.
4042682
 
#87

eMolecules: 206971635
Molport: MolPort-027-892-372
AKOS: AKOS000273191
IBScreen: STOCK2S-98348
Innovapharm: STT-00220721...20 total

ref: mol2, SDF, SMILES, flexibase
2.86,-0.62,-54.45,1,7,-1, 332.361, 7
37947
 
#88

eMolecules: 1084453
AKOS: AKOS000272740
ChemDiv: 1683-6978
IBScreen NP: STOCK1N-27112
Innovapharm: STT-00207465...31 total

ref: mol2, SDF, SMILES, flexibase
0.92,7.81,-62.37,2,6,-1, 337.355, 6

Similar to: 25046681, 34875997, 34875999, 34876000, 34876002, ... 20 in total.
1792197
 
#89

AKOS: AKOS000273774
Innovapharm: STT-00237887
Innovapharm Building Blocks: BBS-00009463
Mcule: MCULE-9867436056
Molport BB: MolPort-000-677-420...16 total

ref: mol2, SDF, SMILES, flexibase
3.54,0.63,-43.59,1,4,1, 277.388, 6
3243408
 
#90

eMolecules: 2851859
AK Scientific: 2444AE
AKOS: AKOS000103623
Alinda Building Blocks: ALBB-008990
Chembo Pharma: KB-226507...33 total

ref: mol2, SDF, SMILES, flexibase
3.70,2.17,-57.93,0,3,-1, 245.229, 4
938536
 
#91

AKOS: AKOS000273506
Innovapharm: STT-00230741
Innovapharm Building Blocks: BBS-00009169
Labotest: LT03098532
Mcule: MCULE-7665367440...18 total

ref: mol2, SDF, SMILES, flexibase
4.51,0.67,-60.32,1,6,-1, 369.784, 4

Similar to: 1286114, 1286120, 1948174, 1948207, 1948428, ... 6 in total.
5521097
 
#92

AKOS: AKOS000273484
Innovapharm: STT-00228737
Innovapharm Building Blocks: BBS-00009111
Mcule: MCULE-3838861547
Molport BB: MolPort-000-670-497...15 total

ref: mol2, SDF, SMILES, flexibase
2.42,-0.17,-16.03,1,6,0, 368.462, 7
5958802
 
#93

AKOS: AKOS000273287
Innovapharm: STT-00235362
Innovapharm Building Blocks: BBS-00009293
Mcule: MCULE-7414941042
Molport BB: MolPort-000-675-469...13 total

ref: mol2, SDF, SMILES, flexibase
3.13,-0.36,-21.61,1,6,0, 388.88, 7
13113122
 
#94

eMolecules: 2324370
AKOS: AKOS000273725
ChemBridge: 9039975
Innovapharm: STT-00237971
Innovapharm Building Blocks: BBS-00009484...25 total

ref: mol2, SDF, SMILES, flexibase
1.85,5.04,-10.55,3,6,0, 266.326, 6

Similar to: 3523904,
149249
 
#95

AKOS: AKOS000273481
Innovapharm: STT-00230595
Innovapharm Building Blocks: BBS-00009163
Mcule: MCULE-9474902772
Molport BB: MolPort-000-671-879...15 total

ref: mol2, SDF, SMILES, flexibase
2.68,0.43,-53.68,0,5,-1, 333.776, 3

Similar to: 1942802,
19862903
 
#96

AKOS: AKOS000273729
Innovapharm: STT-00237134
Innovapharm Building Blocks: BBS-00009372
Mcule: MCULE-7364490024
Molport BB: MolPort-000-680-439...16 total

ref: mol2, SDF, SMILES, flexibase
-1.94,-1.66,-47.02,2,5,-1, 187.2, 1
6130552
 
#97

eMolecules: 2543734
AKOS: AKOS000273724
ChemBridge: 9041760
Innovapharm: STT-00285852
Innovapharm Building Blocks: BBS-00009483...20 total

ref: mol2, SDF, SMILES, flexibase
2.62,-3.24,-9.74,3,5,0, 264.354, 5
19795957
 
#98

eMolecules: 932570
Molport: MolPort-001-760-148
AK Scientific: 2869AE
AKOS: AKOS000272918
Asinex: BAS07720830...41 total

ref: mol2, SDF, SMILES, flexibase
-0.66,-0.05,-50.51,3,4,1, 208.285, 3
lo: mol2, SDF, SMILES, flexibase
-0.66,0.4,-106.84,4,4,2, 209.293, 3

Similar to: 32226256, 32226258, 36769371, 37094618, 37097991, ... 5 in total.
4056261
 
#99

AKOS: AKOS000272986
Innovapharm: STT-00223916
Innovapharm Building Blocks: BBS-00008917
Mcule: MCULE-2779234715
Molport BB: MolPort-000-666-404...17 total

ref: mol2, SDF, SMILES, flexibase
2.61,10.31,-55.42,0,5,-1, 313.358, 3

Similar to: 1281594, 1281856,
12505804
 
#100

eMolecules: 31406572, 1881340
Molport: MolPort-005-311-390
AKOS: AKOS000273350
Enamine Building Blocks: EN300-28744
Fluorochem: 350808...35 total

ref: mol2, SDF, SMILES, flexibase
1.17,3.8,-48.84,2,5,-1, 226.31, 1
lo: mol2, SDF, SMILES, flexibase
1.17,3.72,-37.74,3,5,1, 228.326, 1
lo: mol2, SDF, SMILES, flexibase
0.44,3.96,-15.03,3,5,0, 227.318, 1

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 = 531 ) limit 0,100

Smiles were