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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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403503
 
#1

ChemMol: 44003941, 2000088, 83600638, 97801678, 30104534, 44010641, 97300495, 96706437, 30104393, 97300496
eMolecules: 1836045
Molport: MolPort-000-001-600
A&J Pharmtech: AJ-00905
Acorn PharmaTech: ACN-S003379...157 total

ref: mol2, SDF, SMILES, flexibase
0.87,1.31,-7.04,1,4,0, 187.239, 2

Similar to: 34428300, 34473291, 34586654, 34586655, ... 4 in total.
1436151
 
#2

ChemMol: 44008354, 1202963, 97602937, 96705618, 83600807, 97300011, 30109682, 44008353, 97300646, 96705586, 30108476
Molport: MolPort-000-001-563
Adesis: 1-110
AK Scientific: W4215, X7338
AKOS: AKOS015897921...108 total

ref: mol2, SDF, SMILES, flexibase
1.25,1.94,-8.81,1,4,0, 201.266, 3

Similar to: 2577467, 34428300, 34473283, 34473284, ... 4 in total.
1436150
 
#3

ChemMol: 97300646, 97602936, 30109682, 96705617, 44008353, 44001678, 30108845, 97300010, 1202963, 96705586, 83600807
Molport: MolPort-000-001-563
A&J Pharmtech: AJ-00911
ACT Chemical BB: ACT08452
Adesis: 1-110...110 total

ref: mol2, SDF, SMILES, flexibase
1.25,1.94,-9.1,1,4,0, 201.266, 3

Similar to: 2577467, 34428300, 34473283, 34473284, ... 4 in total.
1437258
 
#4

ChemMol: 30111557, 96705646, 97300205, 2001027, 44010321, 97802146
Acorn PharmaTech: ACN-S002890
Adesis: 1-111
Aldrich CPR: ADE000025|ALDRICH
Alfa-Aesar: H57390...61 total

ref: mol2, SDF, SMILES, flexibase
2.12,1.88,-8.98,0,5,0, 243.303, 5

Similar to: 34542621, 36458306,
1437257
 
#5

ChemMol: 30111557, 96705646, 97300205, 2001027, 44010321, 97802146
A&J Pharmtech: AJ-00912
Acorn PharmaTech: ACN-S002890
Adesis: 1-111
Aldrich CPR: ADE000025|ALDRICH...57 total

ref: mol2, SDF, SMILES, flexibase
2.12,1.88,-8.93,0,5,0, 243.303, 5

Similar to: 34542621, 36458306,
1433079
 
#6

ChemMol: 44000541, 1035394, 2001028, 30110753, 30200978, 44008357, 97602939, 96705588
eMolecules: 728644
Molport: MolPort-000-001-425
A&J Pharmtech: AJ-00226
Acorn PharmaTech: ACN-S003001...110 total

ref: mol2, SDF, SMILES, flexibase
1.13,4.3,-48.32,0,5,-1, 214.241, 3

Similar to: 2577464, 5066755, 34422908, 34422910, 36469693, ... 6 in total.
1433078
 
#7

ChemMol: 2001028, 44001688, 30110753, 44015214, 96705588, 44008356, 1035394, 30200979, 97802049, 97602938
eMolecules: 728644
Molport: MolPort-000-001-425
A&J Pharmtech: AJ-00146
Acorn PharmaTech: ACN-S002958...112 total

ref: mol2, SDF, SMILES, flexibase
1.13,4.28,-46.63,0,5,-1, 214.241, 3

Similar to: 2577464, 5066755, 34422908, 34422910, 36469693, ... 6 in total.
1436155
 
#8

ChemMol: 96706477
Adesis: 1-114
AK Scientific: 2876AE
AKOS: AKOS015838322
Aldrich CPR: ADE000050|ALDRICH...27 total

ref: mol2, SDF, SMILES, flexibase
-0.46,1.44,-10.76,3,6,0, 229.28, 3
1436154
 
#9

ChemMol: 96706477
A&J Pharmtech: AJ-00915
Adesis: 1-114
AK Scientific: 2876AE
AKOS: AKOS015838322...28 total

ref: mol2, SDF, SMILES, flexibase
-0.46,1.44,-12.74,3,6,0, 229.28, 3
1437264
 
#10

ChemMol: 96706523, 30109179, 97300765, 44001691
Adesis: 1-115
AK Scientific: 4307AA
Aldrich CPR: ADE000051|ALDRICH
Alfa-Aesar: H50081...38 total

ref: mol2, SDF, SMILES, flexibase
0.61,1.32,-11.35,2,5,0, 214.265, 3
1437263
 
#11

ChemMol: 96706523, 30109179, 97300765, 44001691
Adesis: 1-115
AK Scientific: 4307AA
Aldrich CPR: ADE000051|ALDRICH
Alfa-Aesar: H50081...38 total

ref: mol2, SDF, SMILES, flexibase
0.61,1.3,-9.95,2,5,0, 214.265, 3
1437266
 
#12

ChemMol: 96705648, 44031944
Adesis: 1-116
AK Scientific: 2540AD
AKOS: AKOS015838330
Aldrich CPR: ADE000052|ALDRICH...28 total

ref: mol2, SDF, SMILES, flexibase
0.80,3.63,-10.04,2,4,0, 230.333, 3

Similar to: 44240201, 44240204, 44240207, 44240210, 44240213, ... 6 in total.
1437265
 
#13

ChemMol: 96705648, 44031944
A&J Pharmtech: AJ-00917
Adesis: 1-116
AK Scientific: 2540AD
AKOS: AKOS015838330...29 total

ref: mol2, SDF, SMILES, flexibase
0.80,3.61,-10.39,2,4,0, 230.333, 3

Similar to: 44240201, 44240204, 44240207, 44240210, 44240213, ... 6 in total.
4203037
 
#14

ChemMol: 96706602, 44014690
Adesis: 1-117
AK Scientific: W3086
AKOS: AKOS015920335
Aldrich CPR: ADE000053|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
0.86,-3.82,-18.47,0,6,0, 265.331, 4

Similar to: 34442654, 34473304, 34473305, 39046340, ... 5 in total.
1495001
 
#15

ChemMol: 44021432, 1033083, 30104070, 96706515, 30114124, 44003729
eMolecules: 728664
Acros Organics: 43735
Adesis: 2-101
AK Scientific: W9562...85 total

ref: mol2, SDF, SMILES, flexibase
-0.10,0.95,-36.38,3,3,1, 123.135, 1
2566951
 
#16

ChemMol: 44028737, 30104038, 1201353, 83602965, 96706428, 44003700, 97801485
eMolecules: 719498
Molport: MolPort-000-002-872
A&J Pharmtech: AJ-00924
Acorn PharmaTech: ACN-S003194...89 total

ref: mol2, SDF, SMILES, flexibase
2.75,-0.66,-4.87,0,1,0, 239.443, 0
161843
 
#17

ChemMol: 83603352, 44013202, 96706447
A&J Pharmtech: AJ-00925
Acros Organics: MO00187
Adesis: 2-103
AK Scientific: N380...42 total

ref: mol2, SDF, SMILES, flexibase
1.66,4.97,-12.84,1,4,0, 206.245, 3

Similar to: 34349066, 34349067, 41695891,
2511834
 
#18

ChemMol: 44003502, 30103701, 96706482
Molport: MolPort-000-860-524
A&J Pharmtech: AJ-00936
Adesis: 2-112
AK Scientific: V1645...43 total

ref: mol2, SDF, SMILES, flexibase
1.97,3.9,-6.55,0,3,0, 216.034, 2
2559902
 
#19

Adesis: 2-114
Alfa-Aesar: L20044
Anward: ANW-74827
Ark Pharm Building Blocks: AK-25382
BePharm Building Blocks: B18117...16 total

ref: mol2, SDF, SMILES, flexibase
1.62,2.49,-7.75,1,2,0, 220.997, 0
1439383
 
#20

ChemMol: 30104722, 97801821, 96706448, 44004204, 1201354, 44500228
eMolecules: 526819
A&J Pharmtech: AJ-00940
Acorn PharmaTech: ACN-S003221
Acros Organics: 37842...76 total

ref: mol2, SDF, SMILES, flexibase
2.75,-0.7,-3.11,0,1,0, 239.443, 0
2559905
 
#21

ChemMol: 30103699, 96706419
Molport: MolPort-000-860-527
A&J Pharmtech: AJ-00942, AJ-00941
Adesis: 2-118
AK Scientific: V4993...42 total

ref: mol2, SDF, SMILES, flexibase
0.62,0.01,-7.87,2,3,0, 201.023, 1
403308
 
#22

ChemMol: 44003698, 1201664, 96706449, 83602326, 30104033, 97803518
eMolecules: 515294
Molport: MolPort-000-860-532
A&J Pharmtech: AJ-00946
Acros Organics: 37907...75 total

ref: mol2, SDF, SMILES, flexibase
2.97,-0.71,-2.92,0,1,0, 239.443, 0
2526494
 
#23

ChemMol: 96706497
A&J Pharmtech: AJ-00947
Adesis: 2-126
AKOS: AKOS015841154
Aldrich CPR: ADE000242|ALDRICH...23 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.88,-14.86,3,5,0, 221.26, 3
2526495
 
#24

ChemMol: 96706498
A&J Pharmtech: AJ-00948
Adesis: 2-127
AKOS: AKOS015851570
Aldrich CPR: ADE000243|ALDRICH...22 total

ref: mol2, SDF, SMILES, flexibase
2.04,1.91,-11.69,1,5,0, 236.271, 4
2526496
 
#25

ChemMol: 96706499
A&J Pharmtech: AJ-00949
Adesis: 2-128
AKOS: AKOS015853654
Aldrich CPR: ADE000244|ALDRICH...22 total

ref: mol2, SDF, SMILES, flexibase
0.25,1.97,-15.67,4,6,0, 236.275, 3

Similar to: 5856552, 39119582,
169497
 
#26

ChemMol: 97803548, 96706461, 1033131, 1203159, 30112302, 44008292
Molport: MolPort-000-860-539
A&J Pharmtech: AJ-00958
Acorn PharmaTech: ACN-S003127
Acros Organics: 39810...67 total

ref: mol2, SDF, SMILES, flexibase
1.51,2.88,-7.29,0,2,0, 141.557, 1
3883725
 
#27

ChemMol: 97805320, 1202774, 30112149, 1032606, 96706557, 44007409, 51500933
Molport: MolPort-000-002-592, MolPort-015-144-181
A&J Pharmtech: AJ-00960
Acros Organics: CC53604
Adesis: 2-139...81 total

ref: mol2, SDF, SMILES, flexibase
1.46,2.89,-9.91,0,2,0, 141.557, 1
168332
 
#28

ChemMol: 44007974, 1032605, 83603608, 97801660, 42307082, 96706436, 30108630
eMolecules: 525237
Molport: MolPort-000-002-532
A&J Pharmtech: AJ-00961
Acorn PharmaTech: ACN-S003097...92 total

ref: mol2, SDF, SMILES, flexibase
1.46,2.91,-11.46,0,2,0, 141.557, 1
2526500
 
#29

ChemMol: 96706507
A&J Pharmtech: AJ-00962
Adesis: 2-141
AK Scientific: 9672AA
AKOS: AKOS015851521...24 total

ref: mol2, SDF, SMILES, flexibase
2.51,0.29,-7.45,0,3,0, 297.479, 2
2526503
 
#30

ChemMol: 96706517
A&J Pharmtech: AJ-00967
Adesis: 2-147
AK Scientific: 5045AD
AKOS: AKOS015838762...25 total

ref: mol2, SDF, SMILES, flexibase
2.51,1.55,-7.26,0,3,0, 211.648, 4

Similar to: 34481710,
2583497
 
#31

ChemMol: 44003728, 96706554, 30104069, 51500939
A&J Pharmtech: AJ-00968
Adesis: 2-148
AK Scientific: 3083AA, W6929
Aldrich CPR: ADE000254|ALDRICH...58 total

ref: mol2, SDF, SMILES, flexibase
0.07,0.43,-8.5,2,3,0, 122.127, 1
337474
 
#32

ChemMol: 51501470, 97802258, 1033201, 96706522, 44028564, 30110524, 1033134, 96706550, 44008501
eMolecules: 728726
Molport: MolPort-000-002-969, MolPort-000-860-543
A&J Pharmtech: AJ-00969, AJ-01107
Acorn PharmaTech: ACN-S004096...126 total

ref: mol2, SDF, SMILES, flexibase
1.62,3.85,-6.57,0,3,0, 171.583, 2
2527298
 
#33

ChemMol: 42307084, 44003777, 30104154, 96706518
A&J Pharmtech: AJ-00973
Acros Organics: 43978
Adesis: 2-160
AK Scientific: V1359...50 total

ref: mol2, SDF, SMILES, flexibase
0.84,2.25,-11.49,0,3,0, 137.138, 2

Similar to: 34346885,
2547600
 
#34

ChemMol: 96706533
A&J Pharmtech: AJ-00976
Adesis: 2-170
AK Scientific: 8039AC
AKOS: AKOS015838761...28 total

ref: mol2, SDF, SMILES, flexibase
2.45,1.6,-9.46,0,3,0, 211.648, 4
2383954
 
#35

ChemMol: 30111098, 1032942, 96706460, 44006269
A&J Pharmtech: AJ-00977
ACT Chemical BB: ACT04432
Adesis: 2-171
AKOS: AKOS015854001...49 total

ref: mol2, SDF, SMILES, flexibase
2.13,-1.25,-4.74,0,2,0, 235.024, 1
lo: mol2, SDF, SMILES, flexibase
2.13,-0.68,-33.05,1,2,1, 236.032, 1
161911
 
#36

ChemMol: 96706474
eMolecules: 721805
A&J Pharmtech: AJ-00989
Acros Organics: MO00352
Adesis: 2-181...39 total

ref: mol2, SDF, SMILES, flexibase
1.44,4.99,-47.78,1,5,-1, 221.236, 3

Similar to: 40174195,
1439370
 
#37

ChemMol: 96706539
A&J Pharmtech: AJ-00994
Adesis: 2-186
AK Scientific: 5494AE
AKOS: AKOS015856481...24 total

ref: mol2, SDF, SMILES, flexibase
1.21,2.43,-13.7,2,4,0, 208.261, 3
lo: mol2, SDF, SMILES, flexibase
1.21,2.18,-27.58,3,4,1, 209.269, 3

Similar to: 34542479, 39126143,
1442762
 
#38

ChemMol: 96706540
A&J Pharmtech: AJ-00996
Adesis: 2-187
AK Scientific: 5495AE
AKOS: AKOS015838126...21 total

ref: mol2, SDF, SMILES, flexibase
1.94,3.76,-9.19,1,5,0, 224.26, 4
mid: mol2, SDF, SMILES, flexibase
1.94,3.43,-25.27,2,5,1, 225.268, 4

Similar to: 16954517,
1439031
 
#39

ChemMol: 30115408, 96706544, 44033898
A&J Pharmtech: AJ-01001
Adesis: 2-193
AKOS: AKOS015838124
Aldrich CPR: ADE000275|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
2.56,0.04,-7.66,1,4,0, 228.679, 3
1296708
 
#40

ChemMol: 30110915, 44013975, 30203246, 96706511
A&J Pharmtech: AJ-01002
Adesis: 3-103
AK Scientific: X3127
Aldrich CPR: ADE000831|ALDRICH...51 total

ref: mol2, SDF, SMILES, flexibase
1.40,4.54,-12.21,0,2,0, 144.177, 0
lo: mol2, SDF, SMILES, flexibase
1.40,4.84,-30.94,1,2,1, 145.185, 0
lo: mol2, SDF, SMILES, flexibase
1.40,4.81,-28.07,1,2,1, 145.185, 0
lo: mol2, SDF, SMILES, flexibase
1.40,5.12,-91.48,2,2,2, 146.193, 0

Similar to: 1296730, 32192918, 32197315, 39042193, 39236657, ... 6 in total.
2385262
 
#41

ChemMol: 96706578
eMolecules: 729082
Molport: MolPort-003-886-659
A&J Pharmtech: AJ-01003
Adesis: 3-104...31 total

ref: mol2, SDF, SMILES, flexibase
1.61,3.27,-61.61,0,5,-1, 217.204, 3
lo: mol2, SDF, SMILES, flexibase
1.15,5.43,-49.93,2,5,1, 219.22, 3

Similar to: 33847779,
1438964
 
#42

ChemMol: 83601973, 44031489, 96706546, 1033119
A&J Pharmtech: AJ-02510, AJ-01008
Acros Organics: 43739
Adesis: 2-195
AK Scientific: X1283...48 total

ref: mol2, SDF, SMILES, flexibase
1.79,2.83,-8.38,0,3,0, 216.034, 2
1442945
 
#43

ChemMol: 96706547, 1033107
A&J Pharmtech: AJ-01009
Adesis: 2-196
AK Scientific: 8536AB
AKOS: AKOS015834225...31 total

ref: mol2, SDF, SMILES, flexibase
3.08,-2.02,-2.56,0,2,0, 313.92, 1
1439382
 
#44

ChemMol: 2100476, 1032988, 30112275, 44008023, 96706452, 97801931
Molport: MolPort-000-004-410
A&J Pharmtech: AJ-01010
Acorn PharmaTech: ACN-S003231
Adesis: 2-199...62 total

ref: mol2, SDF, SMILES, flexibase
1.36,2.04,-30.6,3,2,1, 221.021, 0

Similar to: 39120793,
336771
 
#45

ChemMol: 1033108, 30111725, 97803537, 51501726, 96706456
A&J Pharmtech: AJ-01015
Adesis: 2-202
AK Scientific: Q997
Alfa-Aesar: H64007...57 total

ref: mol2, SDF, SMILES, flexibase
2.90,-1.19,-1.63,0,1,0, 283.894, 0
1443091
 
#46

ChemMol: 96706590
A&J Pharmtech: AJ-01017
Adesis: 2-204
AK Scientific: Z0011
AKOS: AKOS015837476...24 total

ref: mol2, SDF, SMILES, flexibase
1.47,3.8,-12.19,1,4,0, 206.245, 3

Similar to: 34453142, 34595768, 39347513,
161810
 
#47

ChemMol: 96706457, 44013201
Acros Organics: MO00095
Adesis: 2-206
AK Scientific: Y4386
Aldrich CPR: ADE000283|ALDRICH...32 total

ref: mol2, SDF, SMILES, flexibase
1.30,3.78,-9.51,1,4,0, 206.245, 3

Similar to: 34426964,
4204271
 
#48

ChemMol: 96706592
A&J Pharmtech: AJ-01019
Adesis: 2-207
AK Scientific: 7467AE
AKOS: AKOS015856417...22 total

ref: mol2, SDF, SMILES, flexibase
1.01,1.23,-11.82,2,4,0, 208.261, 3
lo: mol2, SDF, SMILES, flexibase
1.01,1.51,-31.74,3,4,1, 209.269, 3

Similar to: 34453142, 39347511, 39347512,
1443090
 
#49

ChemMol: 51502288, 96706465, 1032927
A&J Pharmtech: AJ-01021
Adesis: 2-211
AKOS: AKOS015853145
Aldrich CPR: ADE000285|ALDRICH...37 total

ref: mol2, SDF, SMILES, flexibase
2.24,0.05,-5.4,0,1,0, 222.988, 0
2523045
 
#50

ChemMol: 44003732, 96706486
A&J Pharmtech: AJ-01022
Adesis: 2-212
AK Scientific: 9706AC
AKOS: AKOS015838202...28 total

ref: mol2, SDF, SMILES, flexibase
1.79,3.1,-7.19,1,5,0, 222.244, 4
2599049
 
#51

ChemMol: 30111281, 44027748, 97803590, 51500797, 96706491, 1033091
Molport: MolPort-000-001-744
A&J Pharmtech: AJ-01023
Acros Organics: 43740
ACT Chemical BB: ACT10151...65 total

ref: mol2, SDF, SMILES, flexibase
2.50,-0.5,-1.83,0,1,0, 192.443, 0
334520
 
#52

ChemMol: 96705682, 30111266, 44009403, 1033037
A&J Pharmtech: AJ-02506, AJ-01024
Acros Organics: 44884
Adesis: 2-208
AK Scientific: X8776...51 total

ref: mol2, SDF, SMILES, flexibase
1.36,1.77,-3.31,2,2,0, 220.013, 0
mid: mol2, SDF, SMILES, flexibase
1.36,2.05,-32.57,3,2,1, 221.021, 0
332946
 
#53

ChemMol: 51500648, 44001835, 96706413, 30109121, 97801306
eMolecules: 728817
Molport: MolPort-000-002-963
A&J Pharmtech: AJ-01030
Acorn PharmaTech: ACN-S004097...109 total

ref: mol2, SDF, SMILES, flexibase
1.36,2.82,-49.85,0,3,-1, 156.548, 1

Similar to: 34454691,
730566
 
#54

ChemMol: 96706426, 44022401
eMolecules: 525259
Molport: MolPort-002-743-231
Scientific Exchange (make on demand): X-072519
A&J Pharmtech: AJ-01032...47 total

ref: mol2, SDF, SMILES, flexibase
1.92,5.12,-12.2,1,3,0, 178.235, 2
lo: mol2, SDF, SMILES, flexibase
1.92,4.87,-27.36,2,3,1, 179.243, 2

Similar to: 32210161, 33992174, 34476609, 44808878, 44808879, ... 5 in total.
161808
 
#55

ChemMol: 44016214, 96706434
eMolecules: 677340
Scientific Exchange (make on demand): Q-044627
A&J Pharmtech: AJ-01034
Acros Organics: MO00094...58 total

ref: mol2, SDF, SMILES, flexibase
1.53,3.67,-8.87,1,3,0, 178.235, 2
lo: mol2, SDF, SMILES, flexibase
1.53,3.95,-34.89,2,3,1, 179.243, 2

Similar to: 5284471,
331841
 
#56

ChemMol: 30108342, 44007481, 97801967, 51501901, 96706455, 83603501
eMolecules: 728871
A&J Pharmtech: AJ-01057
Acorn PharmaTech: ACN-S003167
Acros Organics: 44147...67 total

ref: mol2, SDF, SMILES, flexibase
1.67,3.53,-7.99,0,2,0, 183.008, 0
lo: mol2, SDF, SMILES, flexibase
1.67,3.8,-40.92,1,2,1, 184.016, 0
336886
 
#57

ChemMol: 1033084, 96706421, 30108413, 44006959, 97801376, 51500756
eMolecules: 728877
Molport: MolPort-000-000-579
A&J Pharmtech: AJ-01059
Acorn PharmaTech: ACN-S002930...74 total

ref: mol2, SDF, SMILES, flexibase
0.16,2.46,-34.89,3,4,0, 138.126, 1
mid: mol2, SDF, SMILES, flexibase
0.16,2.04,-52.94,2,4,-1, 137.118, 1
336011
 
#58

ChemMol: 96706520, 1033165, 30112907, 83602547, 44009429
eMolecules: 728883
Molport: MolPort-001-760-869
A&J Pharmtech: AJ-01067
Acros Organics: 44241...86 total

ref: mol2, SDF, SMILES, flexibase
0.96,0.83,-45.73,0,4,-1, 152.129, 2
331802
 
#59

ChemMol: 97806523, 44000100, 30112873, 1032990, 96706407
A&J Pharmtech: AJ-01069
Acros Organics: 13744
ACT Chemical BB: ACT07335
Adesis: 2-279...69 total

ref: mol2, SDF, SMILES, flexibase
1.95,3.8,-3.18,0,1,0, 204.998, 0
lo: mol2, SDF, SMILES, flexibase
1.95,4.09,-32.66,1,1,1, 206.006, 0

Similar to: 4457474,
198357
 
#60

ChemMol: 96706425
Scientific Exchange (make on demand): Z-071873
A&J Pharmtech: AJ-01075
Adesis: 2-287
AK Scientific: 7401AC...26 total

ref: mol2, SDF, SMILES, flexibase
3.14,1.53,-20.37,2,5,0, 277.368, 4
lo: mol2, SDF, SMILES, flexibase
3.14,1.34,-32.6,3,5,1, 278.376, 4

Similar to: 5906109, 34361019,
2507202
 
#61

ChemMol: 1203208, 1033093, 96706470, 97802023, 30103726, 44003518, 30114606, 42307081
Molport: MolPort-000-002-375
A&J Pharmtech: AJ-01082
Acorn PharmaTech: ACN-S003148
Acros Organics: 44142...70 total

ref: mol2, SDF, SMILES, flexibase
1.45,3.07,-7.15,0,2,0, 186.008, 1
157191
 
#62

ChemMol: 97800351, 1201343, 30103282, 96706402, 44003141
eMolecules: 479135
Molport: MolPort-001-769-562
Scientific Exchange (make on demand): R-010019
A&J Pharmtech: AJ-01086...85 total

ref: mol2, SDF, SMILES, flexibase
1.58,0.45,-6.47,1,2,0, 173.997, 0
lo: mol2, SDF, SMILES, flexibase
1.58,0.72,-32.46,2,2,1, 175.005, 0

Similar to: 34327814,
494966
 
#63

ChemMol: 30115417, 1033133, 44009421, 51501061, 96706435
eMolecules: 728931
Molport: MolPort-001-769-292
A&J Pharmtech: AJ-01092
Acorn PharmaTech: ACN-S004201...61 total

ref: mol2, SDF, SMILES, flexibase
0.60,0.06,-7.2,2,3,0, 156.572, 1
107947
 
#64

Adesis: 2-322
Alfa-Aesar: L20007
Chemik Building Blocks: CHH00951
Labotest: LT03383096
Otava: 7216640154...7 total

ref: mol2, SDF, SMILES, flexibase
0.88,1.39,-27.96,3,2,1, 174.021, 0
1728945
 
#65

ChemMol: 96706446
A&J Pharmtech: AJ-01103
Adesis: 2-324
AK Scientific: Z2867
Aldrich CPR: ADE000343|ALDRICH...34 total

ref: mol2, SDF, SMILES, flexibase
0.17,0.17,-8.36,3,4,0, 171.587, 1
1442763
 
#66

ChemMol: 44012952, 96706432, 30115471
A&J Pharmtech: AJ-01108
ACT Chemical BB: ACT07780
Adesis: 2-333
AK Scientific: W5213...54 total

ref: mol2, SDF, SMILES, flexibase
0.99,2.68,-8.53,0,4,0, 167.164, 3
mid: mol2, SDF, SMILES, flexibase
0.99,2.99,-34.11,1,4,1, 168.172, 3

Similar to: 34962186, 34962198, 34974057, 37024824, 37093326, ... 6 in total.
331098
 
#67

ChemMol: 96706420, 44003867, 30104303
Scientific Exchange (make on demand): H-047076
A&J Pharmtech: AJ-01111
Adesis: 2-336
AK Scientific: Y9356...49 total

ref: mol2, SDF, SMILES, flexibase
0.66,3.74,-12.77,1,3,0, 150.181, 1
lo: mol2, SDF, SMILES, flexibase
0.66,3.5,-26.61,2,3,1, 151.189, 1

Similar to: 34016823, 34542479, 39126143,
331807
 
#68

ChemMol: 30103724, 96706442, 97801767, 51500787, 44003517
eMolecules: 528786
Molport: MolPort-000-001-318
A&J Pharmtech: AJ-01128
Acorn PharmaTech: ACN-S003251...81 total

ref: mol2, SDF, SMILES, flexibase
1.31,1.21,-3.93,2,2,0, 173.013, 0
mid: mol2, SDF, SMILES, flexibase
1.31,1.49,-30.66,3,2,1, 174.021, 0
2526488
 
#69

ChemMol: 30108580, 97802220, 2001026, 96706488, 44010323
A&J Pharmtech: AJ-00906
Acorn PharmaTech: ACN-S002942
Adesis: 1-101
AK Scientific: X4714...52 total

ref: mol2, SDF, SMILES, flexibase
2.48,2.29,-42.71,1,3,1, 234.319, 5
hi: mol2, SDF, SMILES, flexibase
-0.71,10.68,-23.1,1,11,0, 490.488, 8

Similar to: 4352633, 34842940, 34842942, 38419070, 38419071, ... 7 in total.
4202932
 
#70

ChemMol: 44016937, 30112856, 44010316, 96706514, 1035407, 97802232, 97603332
eMolecules: 728630
Molport: MolPort-000-001-558
Scientific Exchange (make on demand): F-405947
A&J Pharmtech: AJ-00907...90 total

ref: mol2, SDF, SMILES, flexibase
1.61,4.82,-36.04,2,2,1, 192.282, 3

Similar to: 4202933, 34220638, 34468371,
4202933
 
#71

ChemMol: 44016936, 30112856, 44010316, 97802232, 96706514, 1035407, 97603333
eMolecules: 728630
Molport: MolPort-000-001-558
Scientific Exchange (make on demand): F-405947
Acorn PharmaTech: ACN-S003494...79 total

ref: mol2, SDF, SMILES, flexibase
1.61,4.95,-36.4,2,2,1, 192.282, 3

Similar to: 34220638, 34468371, 4202932,
4203320
 
#72

Adesis: 1-103
Bosche Scientific: B13643
Fluorochem: 040408
Matrix Scientific: 016047
Tyger Building Blocks: B64022...6 total

ref: mol2, SDF, SMILES, flexibase
2.03,2.6,-46.68,1,2,1, 187.266, 2

Similar to: 4203321, 25865884, 25865889, 38780871, 54967340, ... 8 in total.
4203321
 
#73

Adesis: 1-103
Bosche Scientific: B13643
Fluorochem: 040408
Matrix Scientific: 016047
Tyger Building Blocks: B64022...6 total

ref: mol2, SDF, SMILES, flexibase
2.03,2.67,-46.49,1,2,1, 187.266, 2

Similar to: 38780871, 54967340, 54967342,
4202937
 
#74

ChemMol: 96706513
A&J Pharmtech: AJ-00909
Adesis: 1-104
AKOS: AKOS015839139
Aldrich CPR: ADE000014|ALDRICH...24 total

ref: mol2, SDF, SMILES, flexibase
-0.10,4.23,-40.41,4,4,1, 220.296, 3

Similar to: 4202938,
4202938
 
#75

ChemMol: 96706513
Adesis: 1-104
AKOS: AKOS015839139
Aldrich CPR: ADE000014|ALDRICH
Bosche Scientific: B13457...23 total

ref: mol2, SDF, SMILES, flexibase
-0.10,3.87,-40.9,4,4,1, 220.296, 3

Similar to: 4202937,
4203038
 
#76

ChemMol: 44016824, 96706492, 44011758, 97603300
A&J Pharmtech: AJ-00910
ACT Chemical BB: ACT09514
Adesis: 1-108
AK Scientific: 3158AB...45 total

ref: mol2, SDF, SMILES, flexibase
3.06,-0.16,-41.86,2,4,1, 291.415, 6

Similar to: 4203039, 5834350, 33995612, 34464624, 34563972, ... 5 in total.
4203039
 
#77

ChemMol: 96706492, 44011758, 44013788
Adesis: 1-108
AKOS: AKOS015838178
Aldrich CPR: ADE000015|ALDRICH
American Custom Chemicals Corp.: CHM0015748...37 total

ref: mol2, SDF, SMILES, flexibase
3.06,-0.24,-41.95,2,4,1, 291.415, 6

Similar to: 5834350, 33995612, 34464624, 34563972, ... 5 in total.
4203905
 
#78

ChemMol: 30111558, 44010322, 96706571
A&J Pharmtech: AJ-00920
Adesis: 1-121
AK Scientific: 9584AC
AKOS: AKOS015839136...33 total

ref: mol2, SDF, SMILES, flexibase
0.98,3.81,-44,3,3,1, 205.281, 3

Similar to: 4203906, 34382640, 37870583, 37870584, ... 4 in total.
4203906
 
#79

ChemMol: 30111558, 44010322, 96706571
Adesis: 1-121
AK Scientific: 9584AC
AKOS: AKOS015839136
Aldrich CPR: ADE000055|ALDRICH...32 total

ref: mol2, SDF, SMILES, flexibase
0.98,4.01,-39.22,3,3,1, 205.281, 3

Similar to: 34382640, 37870583, 37870584,
1716582
 
#80

ChemMol: 96706423, 44006910, 30110525, 51500650, 97801394, 83602854
eMolecules: 23817340, 728666
Molport: MolPort-003-179-010, MolPort-000-001-274
A&J Pharmtech: AJ-00927
Acros Organics: 43736...91 total

ref: mol2, SDF, SMILES, flexibase
0.38,2.52,-48.16,3,4,0, 138.126, 1

Similar to: 19090245,
3866429
 
#81

ChemMol: 30103579, 1033123, 42307060, 44003309, 96706443, 51500687, 1201688
eMolecules: 728364
Molport: MolPort-000-002-381
A&J Pharmtech: AJ-00935
Acorn PharmaTech: ACN-S004354...87 total

ref: mol2, SDF, SMILES, flexibase
1.71,2.86,-42.01,0,3,-1, 200.999, 1
2526492
 
#82

ChemMol: 96706493
Adesis: 2-119
AKOS: AKOS013717784
Aldrich CPR: ADE000238|ALDRICH
Capot Chemical: 16642...25 total

ref: mol2, SDF, SMILES, flexibase
1.78,4.73,-49.34,1,5,-1, 221.236, 3
2526497
 
#83

Adesis: 2-129
ref: mol2, SDF, SMILES, flexibase
2.02,-2.67,-32.79,1,3,1, 291.112, 1
2526498
 
#84

Adesis: 2-131
Labotest: LT03382200
Maybridge Building Blocks: CC17511
Apollo Scientific (Depleted): OR14007
ref: mol2, SDF, SMILES, flexibase
2.24,-3.25,-30,1,3,1, 291.112, 1
2526499
 
#85

Adesis: 2-132
ref: mol2, SDF, SMILES, flexibase
1.69,-4.21,-96.53,3,3,2, 291.136, 1
2547609
 
#86

ChemMol: 96706545, 83602871
A&J Pharmtech: AJ-01005
Adesis: 2-194
AK Scientific: V6530
AKOS: AKOS015849894...33 total

ref: mol2, SDF, SMILES, flexibase
2.25,-1.27,-46.12,0,3,-1, 282.444, 1
2582031
 
#87

ChemMol: 96706410
eMolecules: 728841
Scientific Exchange Building Blocks: R-063290
A&J Pharmtech: AJ-01042
Adesis: 2-243...50 total

ref: mol2, SDF, SMILES, flexibase
1.00,2.54,-54.14,0,4,-1, 166.156, 3

Similar to: 34958400, 34958403, 37024830,
3880837
 
#88

ChemMol: 30112908, 97802496, 44024431, 51501147, 96706601
eMolecules: 728927
Molport: MolPort-001-757-406
A&J Pharmtech: AJ-01090
Acorn PharmaTech: ACN-S004221...59 total

ref: mol2, SDF, SMILES, flexibase
0.74,0.83,-52.54,0,4,-1, 152.129, 2

Similar to: 34574555,
2559887
 
#89

ChemMol: 96706422
Molport: MolPort-001-769-251
A&J Pharmtech: AJ-01122
Adesis: 2-349
AK Scientific: Y9409...52 total

ref: mol2, SDF, SMILES, flexibase
0.12,2.69,-50.53,1,5,-1, 179.155, 2

Similar to: 34542479, 39126143,
4352633
 
#90

ChemMol: 30108580, 97802220, 2001026, 44010323, 96706488
Acorn PharmaTech: ACN-S002942
Adesis: 1-101
AK Scientific: X4714
AKOS: AKOS015843412...50 total

ref: mol2, SDF, SMILES, flexibase
2.48,2.34,-38.27,1,3,1, 234.319, 5

Similar to: 34842940, 34842942, 38419070, 38419071, 43220532, ... 7 in total.
4352635
 
#91

Adesis: 1-118
Chembo Pharma: KB-100181
PubChem: 57754808, 17998776
SureChEMBL: SCHEMBL13784497
ref: mol2, SDF, SMILES, flexibase
0.20,2.16,-42.38,1,4,1, 194.276, 3

Similar to: 4352636, 39320974, 39320976, 39320978, 39320980, ... 5 in total.
4352636
 
#92

Adesis: 1-118
Chembo Pharma: KB-100181
PubChem: 17998776
ref: mol2, SDF, SMILES, flexibase
0.20,2.16,-48,1,4,1, 194.276, 3

Similar to: 39320974, 39320976, 39320978, 39320980, ... 5 in total.
4352637
 
#93

A&J Pharmtech: AJ-00922
Adesis: 1-124
Element Store BB: b2star-628725-28-0
Tractus: TRA0075487
ChemDB: 7654894...6 total

ref: mol2, SDF, SMILES, flexibase
3.83,0.59,-49.58,2,6,0, 320.389, 6

Similar to: 6643265, 14628842,
4352639
 
#94

ChemMol: 96706697
A&J Pharmtech: AJ-00932
Adesis: 2-330
AK Scientific: Z0452
AKOS: AKOS015851511...27 total

ref: mol2, SDF, SMILES, flexibase
1.00,1.86,-7.53,0,4,0, 167.164, 3

Similar to: 33834722, 35874476, 38220945, 39328409, 44201040, ... 5 in total.
2511835
 
#95

ChemMol: 30103698, 44003501, 96706483
A&J Pharmtech: AJ-00937
Adesis: 2-113
AK Scientific: W6273
AKOS: AKOS015841441...40 total

ref: mol2, SDF, SMILES, flexibase
2.69,-1.32,-8.09,1,4,0, 273.13, 3
2511836
 
#96

ChemMol: 96706484
A&J Pharmtech: AJ-00939
Adesis: 2-115
AK Scientific: W5846
AKOS: AKOS015838241...31 total

ref: mol2, SDF, SMILES, flexibase
3.18,-0.66,-8.47,1,4,0, 320.13, 3
2526493
 
#97

ChemMol: 96706496
Scientific Exchange (make on demand): F-085554
A&J Pharmtech: AJ-00945, AJ-00944
Adesis: 2-122
AKOS: AKOS004010419...24 total

ref: mol2, SDF, SMILES, flexibase
3.17,-0.08,-10.86,1,3,0, 304.131, 2
4352643
 
#98

ChemMol: 1033147, 96706573
A&J Pharmtech: AJ-00970
Adesis: 2-151
AK Scientific: 0321AF
AKOS: AKOS015853950...24 total

ref: mol2, SDF, SMILES, flexibase
3.16,-1.42,-4.44,0,1,0, 330.894, 0
2546083
 
#99

ChemMol: 96706531
A&J Pharmtech: AJ-00987
Adesis: 2-177
AK Scientific: N381
AKOS: AKOS015854000...35 total

ref: mol2, SDF, SMILES, flexibase
2.95,0.18,-9.15,1,3,0, 304.131, 2
2547604
 
#100

ChemMol: 96706537
A&J Pharmtech: AJ-00990
Adesis: 2-182
AK Scientific: 5492AE
AKOS: AKOS015838944...22 total

ref: mol2, SDF, SMILES, flexibase
2.69,1.93,-11.38,1,3,0, 218.3, 4

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 = 71 ) limit 0,100

Smiles were