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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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152696
 
#1

ChemMol: 44003388, 1031214, 1200406, 98000971, 30103613
eMolecules: 502659
Scientific Exchange Building Blocks: F-435529
Acros Organics: BTB03621
AK Scientific: L511...65 total

ref: mol2, SDF, SMILES, flexibase
2.46,3.15,-5.14,0,1,0, 155.559, 0

Similar to: 26516431, 26516433,
155197
 
#2

ChemMol: 97806450, 44008943, 1200410, 1031272, 30100731, 98000309
eMolecules: 486676
Acros Organics: 18243
AK Scientific: L241
AKOS: AKOS000120932...60 total

ref: mol2, SDF, SMILES, flexibase
2.44,3.05,-7.94,0,1,0, 155.559, 0

Similar to: 164391,
155282
 
#3

ChemMol: 1200412, 44004830, 1031246, 1031271, 30109133, 44015485, 98001202, 97800778
eMolecules: 499899
Acorn PharmaTech: ACN-S003957
AK Scientific: L234
Alfa-Aesar: A15478...63 total

ref: mol2, SDF, SMILES, flexibase
2.46,3.1,-5.05,0,1,0, 155.559, 0

Similar to: 164825,
403961
 
#4

ChemMol: 97806595, 98001974, 30103644, 1200568, 44003466, 1031781
eMolecules: 518493
Acorn PharmaTech: ACN-S004347
Acros Organics: 44251
AKOS: AKOS001274850...70 total

ref: mol2, SDF, SMILES, flexibase
2.28,1.28,-49.61,0,2,-1, 173.55, 1

Similar to: 34607297,
158136
 
#5

ChemMol: 30105321, 98001172, 1031780, 1200565, 83602348, 44004537, 97806529
eMolecules: 491450
AKOS: AKOS001281794
Alfa-Aesar: B25277
Angene Building Blocks: AGN-PC-0JM3G7...69 total

ref: mol2, SDF, SMILES, flexibase
2.28,1.28,-46.84,0,2,-1, 173.55, 1
732122
 
#6

ChemMol: 98002029, 1200569, 30110156, 44008835, 1031779
Acros Organics: 37476
AK Scientific: X4330
Aldrich CPR: L300977|ALDRICH
Alfa-Aesar: H26567...53 total

ref: mol2, SDF, SMILES, flexibase
2.62,1.38,-42.27,0,2,-1, 173.55, 1
hi: mol2, SDF, SMILES, flexibase
-1.75,-3.54,-48.14,1,7,-1, 158.093, 1

Similar to: 44200063,
152712
 
#7

ChemMol: 30100335, 97800775, 1031744, 1200560, 44008831, 98001173
eMolecules: 501930
Acorn PharmaTech: ACN-S004157
AKOS: AKOS000109351
Alfa-Aesar: A12814...73 total

ref: mol2, SDF, SMILES, flexibase
2.62,1.36,-42.15,0,2,-1, 173.55, 1
403972
 
#8

ChemMol: 98001191, 97804579, 44003200, 30103383, 1200562, 1031742
eMolecules: 518545
Acros Organics: 39929
AK Scientific: L504
Alfa-Aesar: B20603...65 total

ref: mol2, SDF, SMILES, flexibase
2.26,1.27,-50.53,0,2,-1, 173.55, 1

Similar to: 34607297,
156274
 
#9

ChemMol: 30100132, 1031778, 98000197, 1200566, 44008834
eMolecules: 485774
AKOS: AKOS000118801
Alfa-Aesar: A11250
Angene Building Blocks: AGN-PC-0JL85K...74 total

ref: mol2, SDF, SMILES, flexibase
2.26,1.22,-55.24,0,2,-1, 173.55, 1
404792
 
#10

ChemMol: 44008833, 98000835, 1031776, 1200564, 30100718, 97806502
eMolecules: 491442
Acros Organics: 34734
Alfa-Aesar: A14953
Angene Building Blocks: AGN-PC-0JLP8O...68 total

ref: mol2, SDF, SMILES, flexibase
2.28,1.34,-43.15,0,2,-1, 173.55, 1
5630733
 
#11

ChemMol: 44015925, 1035975
eMolecules: 912914
AK Scientific: Y7517
Alfa-Aesar: A15367
Apollo Scientific: PC1860G...35 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.72,-10.19,2,2,0, 202.641, 0
13656634
 
#12

ChemMol: 1035974
eMolecules: 884023
Molport: MolPort-001-772-095
AK Scientific: 9064AA
Alfa-Aesar: A10904...40 total

ref: mol2, SDF, SMILES, flexibase
2.17,4.71,-7.79,1,2,0, 170.574, 0
152711
 
#13

ChemMol: 44015881
eMolecules: 884431
Scientific Exchange Building Blocks: F-435525
Acros Organics: BTB03706
AK Scientific: Y9866...38 total

ref: mol2, SDF, SMILES, flexibase
1.53,1.84,-6.96,2,2,0, 173.574, 1
2516080
 
#14

ChemMol: 30100729, 44015852
eMolecules: 885700
AK Scientific: R427
Alfa-Aesar: B21294
Angene Building Blocks: AGN-PC-0JM32S...38 total

ref: mol2, SDF, SMILES, flexibase
1.50,1.62,-9.77,2,2,0, 173.574, 1

Similar to: 39712935,
167048
 
#15

ChemMol: 44015790
AK Scientific: N615
AKOS: AKOS008937562
Aldrich CPR: CDS002890|ALDRICH
Apexmol Building Blocks: AM62606...36 total

ref: mol2, SDF, SMILES, flexibase
1.53,1.85,-9.2,2,2,0, 173.574, 1
2512519
 
#16

ChemMol: 98001737, 44003179, 1037244, 30103357, 1200282
Acros Organics: 29414
AK Scientific: V0566, X2172
Alfa-Aesar: 41365
Angene Building Blocks: AGN-PC-0KK0J7...60 total

ref: mol2, SDF, SMILES, flexibase
2.50,2.18,-6,0,1,0, 158.559, 1
2512513
 
#17

ChemMol: 1200281, 98001768, 44004812, 30110221, 1037265
eMolecules: 45493822
Acros Organics: 29062
Aldrich CPR: CDS006860|ALDRICH
Alfa-Aesar: A16110...61 total

ref: mol2, SDF, SMILES, flexibase
2.50,2.13,-9.42,0,1,0, 158.559, 1
165047
 
#18

ChemMol: 83603029, 44015603, 98000949, 44006863, 30110799, 97800572, 1200283, 1037241
eMolecules: 496554
Acros Organics: 31122
AK Scientific: L510
Alfa-Aesar: A19923...69 total

ref: mol2, SDF, SMILES, flexibase
2.50,2.18,-5.93,0,1,0, 158.559, 1
151783
 
#19

ChemMol: 1200287, 1037264, 30100519, 83603014, 98000339, 44008981
eMolecules: 481292
Acros Organics: 16151
AKOS: AKOS000118947
Alfa-Aesar: A10513...84 total

ref: mol2, SDF, SMILES, flexibase
2.47,2.12,-7.45,0,1,0, 158.559, 1

Similar to: 164391, 164825,
165062
 
#20

ChemMol: 98001193, 1037263, 1200289, 30110808, 44003396
eMolecules: 500249
ACB Blocks: MIX-0629
Alfa-Aesar: A15345
Angene Building Blocks: AGN-PC-0JMUA4...67 total

ref: mol2, SDF, SMILES, flexibase
2.50,2.22,-8.04,0,1,0, 158.559, 1

Similar to: 164391, 164825,
2584354
 
#21

ChemMol: 1037670, 83602667, 44010087
AK Scientific: X2239
Angene Building Blocks: AGN-PC-0KK0BO
Anward: ANW-30918
Apexmol Building Blocks: AM62549...36 total

ref: mol2, SDF, SMILES, flexibase
2.76,1.8,-3.47,0,1,0, 160.575, 1
2584355
 
#22

ChemMol: 44010085, 1037666, 30110263, 83600463
Acros Organics: 24991
AK Scientific: X4245
Anward: ANW-30209
Apexmol Building Blocks: AM61989...29 total

ref: mol2, SDF, SMILES, flexibase
2.76,1.87,-3.42,0,1,0, 160.575, 1
164833
 
#23

ChemMol: 1036709, 1201130, 30103350, 1037848, 98001588, 44003174
eMolecules: 518503
AK Scientific: N517
Alfa-Aesar: B20951
Angene Building Blocks: AGN-PC-0JLP2R...60 total

ref: mol2, SDF, SMILES, flexibase
2.19,2.98,-2.47,2,1,0, 145.564, 0
2572861
 
#24

ChemMol: 1037849, 1036710, 30110383, 1201133, 98002036, 44006827
eMolecules: 906846
AK Scientific: U078
Alfa-Aesar: H26148
Angene Building Blocks: AGN-PC-0KK7VN...51 total

ref: mol2, SDF, SMILES, flexibase
1.78,2.93,-4.31,2,1,0, 145.564, 0
409384
 
#25

ChemMol: 1201127, 1037847, 98000836, 1036707, 30100879, 44009024
eMolecules: 497227
Scientific Exchange (make on demand): F-392702
Acros Organics: 24972
AK Scientific: L678...69 total

ref: mol2, SDF, SMILES, flexibase
2.19,2.97,-3.1,2,1,0, 145.564, 0
157622
 
#26

ChemMol: 1201092, 98000606, 1036824, 30100809, 44009038
eMolecules: 490089
Acros Organics: 21153
AKOS: AKOS000119505
Alfa-Aesar: A11858...115 total

ref: mol2, SDF, SMILES, flexibase
1.78,2.93,-4.38,2,1,0, 145.564, 0
403487
 
#27

ChemMol: 44003175, 44500105, 1036724, 1201132, 30103351, 98001587
eMolecules: 517821
AK Scientific: L503
AKOS: AKOS001116290
Alfa-Aesar: H51144...65 total

ref: mol2, SDF, SMILES, flexibase
2.17,2.96,-4.37,2,1,0, 145.564, 0
2389922
 
#28

ChemMol: 30100043, 1201129, 44009025, 98001149, 97800739, 1036723
Acorn PharmaTech: ACN-S003775
Acros Organics: 35582
AK Scientific: X3098
Alfa-Aesar: A15848...57 total

ref: mol2, SDF, SMILES, flexibase
2.17,3.03,-2.74,2,1,0, 145.564, 0
2575153
 
#29

ChemMol: 1036711, 98001655, 44004354, 30104963, 1037850, 1201131
eMolecules: 906844
AK Scientific: X2898
Alfa-Aesar: B25618
Angene Building Blocks: AGN-PC-0KK7VL...54 total

ref: mol2, SDF, SMILES, flexibase
2.19,3.01,-2.38,2,1,0, 145.564, 0
152883
 
#30

ChemMol: 30104964, 1201128, 44004355, 98001195, 1036817
eMolecules: 497229
AK Scientific: L233
Alfa-Aesar: A15492
Angene Building Blocks: AGN-PC-0BW46B...69 total

ref: mol2, SDF, SMILES, flexibase
2.19,3.01,-3.14,2,1,0, 145.564, 0

Similar to: 34537975,
2584356
 
#31

ChemMol: 30110420, 44012153, 44008471, 98001210, 30110548, 97800779, 1201999, 1034275
Acorn PharmaTech: ACN-S003071
AK Scientific: X4553
Angene Building Blocks: AGN-PC-0KK7VK
Apexmol Building Blocks: AM20050174...43 total

ref: mol2, SDF, SMILES, flexibase
2.61,2.2,-6.36,0,1,0, 172.586, 1

Similar to: 34426384, 2378491,
2584275
 
#32

ChemMol: 44014890, 1034274
AK Scientific: R220
AKOS: AKOS001160394
Alfa-Aesar: L19880
Angene Building Blocks: AGN-PC-0KK7VJ...41 total

ref: mol2, SDF, SMILES, flexibase
2.61,2.2,-7.67,0,1,0, 172.586, 1

Similar to: 39341038,
389781
 
#33

AK Scientific: X2262
AKOS: AKOS003799021
Alfa-Aesar: A16940
Anward: ANW-33211
Apollo Scientific: PC1815...29 total

ref: mol2, SDF, SMILES, flexibase
1.93,4.01,-5.93,1,2,0, 187.601, 1

Similar to: 6329709, 34979716,
91034
 
#34

eMolecules: 499872
Molport: MolPort-001-772-090
AK Scientific: X2927
AKOS: AKOS008922261
Alfa-Aesar: B21762...27 total

ref: mol2, SDF, SMILES, flexibase
1.93,4.09,-5.98,1,2,0, 187.601, 1

Similar to: 36761532,
161210
 
#35

AK Scientific: 5745AD
Apollo Scientific: PC1813
Ark Pharm Building Blocks: AK-63743
Chembo Pharma: KB-151265
Lab Seeker Building Blocks: SC-58294...14 total

ref: mol2, SDF, SMILES, flexibase
2.28,-0.64,-10.35,0,2,0, 272.675, 4
161496
 
#36

ChemMol: 44015757
AK Scientific: Y8750
Alfa-Aesar: A16922, A16930
Apollo Scientific: PC1812R
Bosche Scientific: C10000...24 total

ref: mol2, SDF, SMILES, flexibase
1.58,3.62,-9.43,0,2,0, 222.668, 3

Similar to: 36163919, 36883205,
3861645
 
#37

Acros Organics: 21400
AKOS: AKOS015832958
Anward: ANW-34580
Apollo Scientific: PC0062
Chembo Pharma: KB-68401...25 total

ref: mol2, SDF, SMILES, flexibase
-0.76,5.98,-23.11,0,2,1, 182.63, 1
121871
 
#38

eMolecules: 906838
AK Scientific: 1269AA
AKOS: AKOS015848953
Anward: ANW-55849
Apollo Scientific: PC1812H...31 total

ref: mol2, SDF, SMILES, flexibase
4.84,3.26,-6.17,0,4,0, 345.704, 6
2022399
 
#39

ChemMol: 30100788, 44000410, 98000554, 1034421, 1202751
AKOS: AKOS000120597
Alfa-Aesar: A10446
Angene Building Blocks: AGN-PC-0JK99N
Anward: ANW-41134...60 total

ref: mol2, SDF, SMILES, flexibase
3.29,7.16,-5.16,0,6,0, 270.55, 3
1847470
 
#40

ChemMol: 97806466, 1034544, 44004601
Scientific Exchange: POD_02/0788
Alfa-Aesar: A17617
Angene Building Blocks: AGN-PC-0JL835
Anward: ANW-44375...38 total

ref: mol2, SDF, SMILES, flexibase
3.29,4.16,-4.08,0,6,0, 270.55, 3
166498
 
#41

ChemMol: 1033370, 83603375
AK Scientific: 9153AA
AKOS: AKOS015851234
Anward: ANW-55513
Apollo Scientific: PC1806...35 total

ref: mol2, SDF, SMILES, flexibase
2.63,1.92,-6.31,0,2,0, 210.586, 1
2565169
 
#42

Aldrich CPR: BBO000309|ALDRICH
Alfa-Aesar: H59428
Apollo Scientific: PC4675
Ark Pharm Building Blocks: AK125206
BOC Sciences BB: 239463-89-9...29 total

ref: mol2, SDF, SMILES, flexibase
2.11,1.66,-4.88,0,1,0, 199.587, 0

Similar to: 4256627,
2598026
 
#43

ChemMol: 30104018, 1201696, 44026042, 97806628
eMolecules: 906834
Aldrich CPR: CDS006192|ALDRICH
Alfa-Aesar: H32633
Angene Building Blocks: AGN-PC-0KK7VD...47 total

ref: mol2, SDF, SMILES, flexibase
2.17,3.09,-7.46,0,1,0, 165.089, 1
389677
 
#44

ChemMol: 83600481, 44027892
eMolecules: 500222
Acros Organics: 44038
AK Scientific: 0604AB
Alinda Building Blocks: ALBB-026442...34 total

ref: mol2, SDF, SMILES, flexibase
2.58,0.6,-3.5,1,1,0, 164.538, 0
2560295
 
#45

ChemMol: 44015649, 1202223, 96700843, 98001873
AKOS: AKOS015850078
Apollo Scientific: PC0834
Bosche Scientific: C9479
Chembo Pharma: KB-72255...33 total

ref: mol2, SDF, SMILES, flexibase
3.25,2.53,-3.55,0,1,0, 210.994, 1

Similar to: 34453977, 34458319,
396125
 
#46

ChemMol: 44006859, 1031774, 98001619, 1200502
Acros Organics: 30969
AK Scientific: X4328
Alfa-Aesar: H55521
Anward: ANW-56178...50 total

ref: mol2, SDF, SMILES, flexibase
2.37,2,-42.93,0,2,-1, 191.54, 1
hi: mol2, SDF, SMILES, flexibase
-1.75,-3.69,-43.58,1,7,-1, 158.093, 1

Similar to: 44199405, 44200127,
164784
 
#47

ChemMol: 30110158, 1031748, 44006858, 1200486, 98001618
eMolecules: 505156
Scientific Exchange: LK-294
Acros Organics: 27769
AK Scientific: L230...66 total

ref: mol2, SDF, SMILES, flexibase
2.37,2.07,-39.75,0,2,-1, 191.54, 1
1706154
 
#48

ChemMol: 1036820, 44012204, 98002819
AK Scientific: X2893
AKOS: AKOS015920108
Angene Building Blocks: AGN-PC-0JNBZ8
Anward: ANW-49763...37 total

ref: mol2, SDF, SMILES, flexibase
2.28,0.48,-5.28,2,1,0, 163.554, 0
2512350
 
#49

ChemMol: 1201149, 30110384, 44009032, 98001730, 1036814
Acros Organics: 35020
AK Scientific: W5781
AKOS: AKOS015890088
Alfa-Aesar: H50363...52 total

ref: mol2, SDF, SMILES, flexibase
2.28,0.64,-1.78,2,1,0, 163.554, 0

Similar to: 34578879,
2504703
 
#50

ChemMol: 44012179, 98002845, 1036813, 30115119
AK Scientific: V5527
Anward: ANW-28442
Apexmol Building Blocks: AM61932
APIChem: AC-9653...32 total

ref: mol2, SDF, SMILES, flexibase
2.28,0.6,-2.84,2,1,0, 163.554, 0
4242400
 
#51

eMolecules: 816061
AK Scientific: 8033AD
AKOS: AKOS000308508
Alfa-Aesar: L13027
Apollo Scientific: PC1753G...32 total

ref: mol2, SDF, SMILES, flexibase
1.28,2.44,-31.22,0,2,-1, 169.534, 2
mid: mol2, SDF, SMILES, flexibase
0.53,4.09,-15.61,0,2,0, 170.542, 3
2539771
 
#52

AK Scientific: 7503AE
Apollo Scientific: PC1753C
Ark Pharm Building Blocks: AK135631
Chembo Pharma: KB-37684
FineTech: FT-0617998...21 total

ref: mol2, SDF, SMILES, flexibase
2.70,2.83,-7.46,0,1,0, 190.576, 1
2567359
 
#53

ChemMol: 1034273, 44015930, 98002872
AK Scientific: X4554
Alfa-Aesar: H31961
Apollo Scientific: PC8096
Ark Pharm Building Blocks: AK121947...26 total

ref: mol2, SDF, SMILES, flexibase
2.70,2.93,-6.29,0,1,0, 190.576, 1

Similar to: 34426384,
2170283
 
#54

ChemMol: 44002149, 30101682, 1034180
Molport: MolPort-001-771-204
AK Scientific: Q277
Alfa-Aesar: B22487
Angene Building Blocks: AGN-PC-0JTD6Y...53 total

ref: mol2, SDF, SMILES, flexibase
2.32,2.71,-11.08,0,1,0, 190.576, 2

Similar to: 34542178,
1675410
 
#55

ChemMol: 1202375, 98001159
AK Scientific: 4983AB
Alfa-Aesar: L16963
Angene Building Blocks: AGN-PC-0JOE0K
Anward: ANW-44351...36 total

ref: mol2, SDF, SMILES, flexibase
2.69,2.52,-3.55,0,1,0, 190.576, 2
3880139
 
#56

eMolecules: 502209
Molport: MolPort-001-772-082
Scientific Exchange (make on demand): F-441818
Alfa-Aesar: L00785
Alinda Building Blocks: ALBB-025910...30 total

ref: mol2, SDF, SMILES, flexibase
0.28,-0.96,-4.77,2,2,0, 129.493, 1
2584274
 
#57

ChemMol: 44015704, 1036821
eMolecules: 522517
Acros Organics: BTB04528
AK Scientific: Y7846
AKOS: AKOS015848715...40 total

ref: mol2, SDF, SMILES, flexibase
3.66,-1.37,-2,2,1,0, 303.356, 0
152701
 
#58

ChemMol: 98001176, 83600542
eMolecules: 717123
AK Scientific: X2920
Aldrich CPR: CDS001130|ALDRICH
Alfa-Aesar: A13953...52 total

ref: mol2, SDF, SMILES, flexibase
1.60,1.09,-4.97,4,2,0, 160.579, 0
152845
 
#59

eMolecules: 716742
Acros Organics: BTB05127
AK Scientific: Y7424
Aldrich CPR: CDS020078|ALDRICH
Alfa-Aesar: L16732...38 total

ref: mol2, SDF, SMILES, flexibase
2.33,-0.4,-3.68,4,2,0, 210.586, 1

Similar to: 39383486,
107769
 
#60

Apollo Scientific: PC1715
Ark Pharm Building Blocks: AK-62664
Capot Chemical: 9783
Chembo Pharma: KB-83129
FineTech: FT-0618060...13 total

ref: mol2, SDF, SMILES, flexibase
2.49,2.68,-5.79,0,2,0, 209.607, 0

Similar to: 44248643,
155322
 
#61

ChemMol: 1200442, 97806518, 98001020, 44003213, 1031385, 30103397
eMolecules: 493241
Acorn PharmaTech: ACN-S004602
AK Scientific: V2149
Alfa-Aesar: B20012...62 total

ref: mol2, SDF, SMILES, flexibase
3.19,4.52,-5.35,0,1,0, 205.566, 1
165075
 
#62

ChemMol: 44003234, 1031384, 30103419
AK Scientific: N623
Alfa-Aesar: H26894
Angene Building Blocks: AGN-PC-0KK7UP
Anward: ANW-23050...48 total

ref: mol2, SDF, SMILES, flexibase
3.19,4.52,-5.19,0,1,0, 205.566, 1
157032
 
#63

ChemMol: 1200443, 44003409, 1031470, 98001817, 30105777, 44500424
Acorn PharmaTech: ACN-S004630, ACN-S004384
AK Scientific: V2148
Aldrich CPR: CDS004640|ALDRICH
Alfa-Aesar: B20119...50 total

ref: mol2, SDF, SMILES, flexibase
3.19,4.52,-5.75,0,1,0, 205.566, 1
153192
 
#64

Apollo Scientific: PC1704
Ark Pharm Building Blocks: AK-64172
BOC Sciences BB: 175135-72-5
Chembo Pharma: KB-83017
Sphinx Make-on-demand: PYI-1-0035...8 total

ref: mol2, SDF, SMILES, flexibase
2.42,-2.11,-9.76,2,5,0, 303.124, 2
2530678
 
#65

Apollo Scientific: PC0643
Chembo Pharma: KB-85109
PubChem: 7016866, 2736472
ref: mol2, SDF, SMILES, flexibase
2.41,1.87,-4,0,1,0, 196.983, 4

Similar to: 4329282,
160005
 
#66

eMolecules: 721002
AK Scientific: 9091AA
AKOS: AKOS015850268
Anward: ANW-55551
Apollo Scientific: PC1698...27 total

ref: mol2, SDF, SMILES, flexibase
2.79,-2.62,-8.38,3,6,0, 346.696, 6
2170137
 
#67

Aldrich CPR: CDS011370|ALDRICH
Apollo Scientific: PC1695
Ark Pharm Building Blocks: AK-63069
Combi-Blocks: SS-5396
FineTech: FT-0618193...16 total

ref: mol2, SDF, SMILES, flexibase
4.23,2.38,-6.29,0,4,0, 351.111, 5
166527
 
#68

ChemMol: 1037039
eMolecules: 678975
AK Scientific: HTS007676
AKOS: AKOS000103576
Aldrich CPR: R822884|ALDRICH...45 total

ref: mol2, SDF, SMILES, flexibase
2.62,1.96,-10.56,1,2,0, 237.608, 3
161135
 
#69

ChemMol: 1037038
eMolecules: 725557
Scientific Exchange (make on demand): POD_10/0123
AK Scientific: Y8825, HTS007620
AKOS: AKOS000265896...61 total

ref: mol2, SDF, SMILES, flexibase
2.59,1.97,-9.15,1,2,0, 237.608, 3

Similar to: 1722498, 44270327,
166748
 
#70

ChemMol: 1037037
eMolecules: 726599
Scientific Exchange (make on demand): POD_10/0125
AK Scientific: HTS007628, 4858AB
AKOS: AKOS000265796...62 total

ref: mol2, SDF, SMILES, flexibase
2.57,2.24,-7.66,1,2,0, 237.608, 3

Similar to: 5867966, 34225963,
86211
 
#71

ChemMol: 1037036
eMolecules: 725559
Acros Organics: KM09078
AK Scientific: Y7708
AKOS: AKOS000103075...58 total

ref: mol2, SDF, SMILES, flexibase
2.69,1.32,-11.01,1,3,0, 253.607, 4
128576
 
#72

ChemMol: 44015905, 1037035
eMolecules: 440175
Scientific Exchange (make on demand): R-081909
AK Scientific: 1230AE, HTS007637
AKOS: AKOS000265125...57 total

ref: mol2, SDF, SMILES, flexibase
1.89,4.09,-10.53,1,2,0, 187.601, 2
3272884
 
#73

ChemMol: 1037034
eMolecules: 678973
Scientific Exchange (make on demand): Q-062035
AK Scientific: 1151AE
AKOS: AKOS000103696...56 total

ref: mol2, SDF, SMILES, flexibase
1.86,4.09,-9.2,1,2,0, 187.601, 2

Similar to: 3195217,
153696
 
#74

ChemMol: 44015822, 1037032
eMolecules: 838341
AK Scientific: 4545AF
AKOS: AKOS000266443
Alinda: IVK/8052635...47 total

ref: mol2, SDF, SMILES, flexibase
1.98,4.21,-7.47,1,2,0, 205.591, 2

Similar to: 37001880,
2149721
 
#75

ChemMol: 1037031
eMolecules: 653318
AK Scientific: 9799AE
AKOS: AKOS000103574
Aldrich CPR: R590118|ALDRICH...38 total

ref: mol2, SDF, SMILES, flexibase
3.44,4.12,-10.75,1,2,0, 305.605, 4

Similar to: 44270327, 1722498,
149993
 
#76

eMolecules: 721395
Acros Organics: KM06169
AK Scientific: Y8391
Aldrich CPR: CDS012746|ALDRICH
Apollo Scientific: PC4006...27 total

ref: mol2, SDF, SMILES, flexibase
3.20,6.65,-50.48,0,4,-1, 302.253, 5
lo: mol2, SDF, SMILES, flexibase
3.20,6.93,-69.87,1,4,0, 303.261, 5

Similar to: 41668810, 41668895,
2569186
 
#77

AK Scientific: 2543AE
Apollo Scientific: PC0694
Chembo Pharma: KB-60697
Indofine: 26-333
MolMall (Depleted): 3611...19 total

ref: mol2, SDF, SMILES, flexibase
2.29,4.48,-2.42,0,2,0, 170.13, 3

Similar to: 38281993,
1713566
 
#78

AK Scientific: 1743AE
Apollo Scientific: PC1614
Fluorochem: 004338
Indofine: 09-401
Matrix Scientific: 005804...26 total

ref: mol2, SDF, SMILES, flexibase
2.54,4.22,-2.11,0,2,0, 170.13, 5

Similar to: 32152482, 32152941, 32153109, 32215507, 39259426, ... 5 in total.
2040742
 
#79

Apollo Scientific: PC1612
Combi-Blocks: SS-4283
Molport BB: MolPort-001-772-061
Ryan Scientific BB: 077-60985
Tetrahedron Building Blocks: TS13448...14 total

ref: mol2, SDF, SMILES, flexibase
2.93,3.32,-3.3,0,1,0, 174.137, 5
2579120
 
#80

Alfa-Aesar: B22400
Apollo Scientific: PC0960
FineTech: FT-0626904
Indofine: 26-329
Molport BB: MolPort-001-771-198...14 total

ref: mol2, SDF, SMILES, flexibase
3.82,6.9,-1.81,0,2,0, 270.144, 7

Similar to: 32153346, 32163622, 32164224, 32164229, 32210971, ... 22 in total.
2379366
 
#81

eMolecules: 906761
AK Scientific: 6103AE
AKOS: AKOS009158064
Apollo Scientific: PC9850
Ark Pharm Building Blocks: AK142050...26 total

ref: mol2, SDF, SMILES, flexibase
3.46,3.5,-4.26,0,2,0, 196.221, 3

Similar to: 32147751, 32147756, 32148277, 32148401, 32148429, ... 7 in total.
1847502
 
#82

AK Scientific: 1832AE
Anward: ANW-28579
Apollo Scientific: PC1611G
Indofine: 26-325
Matrix Scientific: 004379...14 total

ref: mol2, SDF, SMILES, flexibase
1.91,4.79,-6.99,0,2,0, 134.15, 5
2526215
 
#83

Apollo Scientific: PC9651
Chembo Pharma: KB-82879
Indofine: 26-2681
Molport BB: MolPort-001-778-166
Ryan Scientific: 107-67017...14 total

ref: mol2, SDF, SMILES, flexibase
2.59,3.57,-2.01,0,2,0, 186.585, 3
2556081
 
#84

ChemMol: 96707917
Apollo Scientific: PC1604
Ark Pharm Building Blocks: AK-62786
Chembo Pharma: KB-83080
FineTech: FT-0613424...13 total

ref: mol2, SDF, SMILES, flexibase
4.67,3.46,-5,0,3,0, 277.677, 2
2530677
 
#85

Apollo Scientific: PC0058
Indofine: 26-2676
TimTec: ST45400666
TimTec Building Blocks: SBB089893
PubChem: 2736439...6 total

ref: mol2, SDF, SMILES, flexibase
2.86,3.35,-1.76,0,1,0, 182.185, 6
2530676
 
#86

Apollo Scientific: PC0508
Indofine: 26-2673
TimTec: ST45401105
TimTec Building Blocks: SBB101213
PubChem: 2736438...7 total

ref: mol2, SDF, SMILES, flexibase
4.19,2.49,-1.48,0,1,0, 253.091, 7

Similar to: 4329278,
2530675
 
#87

Apollo Scientific: PC9437
Indofine: 26-321
TimTec: ST45401104
TimTec Building Blocks: SBB101212
PubChem: 2736437...6 total

ref: mol2, SDF, SMILES, flexibase
4.19,2.53,-1.51,0,1,0, 253.091, 7
1666902
 
#88

ChemMol: 44030885
AK Scientific: 3281AE
Alfa-Aesar: L10566
Apollo Scientific: PC1599
Ark Pharm Building Blocks: AK-89106...33 total

ref: mol2, SDF, SMILES, flexibase
1.33,0.76,-3.36,1,1,0, 192.962, 2

Similar to: 4242156,
4242156
 
#89

ChemMol: 44030885
AK Scientific: 3281AE
Alfa-Aesar: L10566
Apollo Scientific: PC1599
Capot Chemical: 12626...30 total

ref: mol2, SDF, SMILES, flexibase
1.33,0.76,-3.36,1,1,0, 192.962, 2

Similar to: 1666902,
166552
 
#90

ChemMol: 97801222, 30104028, 2100789, 44003695, 1203180, 1032542
Acros Organics: SPB05624
AKOS: AKOS005063713
Alfa-Aesar: 43381
Angene Building Blocks: AGN-PC-0KK7TL...72 total

ref: mol2, SDF, SMILES, flexibase
2.75,1.6,-3.52,0,1,0, 225.995, 1
lo: mol2, SDF, SMILES, flexibase
2.75,1.71,-31.59,1,1,1, 227.003, 1

Similar to: 39340757,
2528123
 
#91

Apollo Scientific: PC0036
Chembo Pharma: KB-212828
Fluorochem: 018323
Indofine: 26-2064
Labotest: LT03497707...14 total

ref: mol2, SDF, SMILES, flexibase
2.61,-1.3,-11.51,3,2,0, 299.115, 3
4242113
 
#92

AKOS: AKOS005109530
Apollo Scientific: PC0223
Chembo Pharma: KB-190062, KB-83940
Combi-Blocks: SS-4880
Fluorochem: 010433...24 total

ref: mol2, SDF, SMILES, flexibase
3.86,5.88,-4.7,1,2,0, 291.07, 2
ref: mol2, SDF, SMILES, flexibase
3.86,5.94,-3.77,1,2,0, 291.07, 2
hi: mol2, SDF, SMILES, flexibase
3.86,5.7,-34.05,0,2,-1, 290.062, 2
4241968
 
#93

ChemMol: 83603453
AK Scientific: V6852
Aldrich CPR: CDS011467|ALDRICH
Alfa-Aesar: H50657
Angene Building Blocks: AGN-PC-0KK7TI...38 total

ref: mol2, SDF, SMILES, flexibase
2.41,2.99,-5.68,1,2,0, 228.999, 1
hi: mol2, SDF, SMILES, flexibase
2.41,2.86,-30.2,0,2,-1, 227.991, 1
91001
 
#94

eMolecules: 906739
Molport: MolPort-001-772-057
Apollo Scientific: PC1595
Capot Chemical: 7122
Chembo Pharma: KB-82997...18 total

ref: mol2, SDF, SMILES, flexibase
3.75,5.25,-36.51,1,2,-1, 296.091, 1
90522
 
#95

ChemMol: 83602622
eMolecules: 723543
Acros Organics: BTB05258
AK Scientific: Y2887, Y7848
Anward: ANW-55510...37 total

ref: mol2, SDF, SMILES, flexibase
3.04,5.73,-6.38,1,2,0, 265.032, 1
ref: mol2, SDF, SMILES, flexibase
3.04,5.75,-8.48,1,2,0, 265.032, 1
74572
 
#96

ChemMol: 1034453
eMolecules: 722053
Molport: MolPort-001-772-056
AKOS: AKOS000439566
Aldrich CPR: CDS010726|ALDRICH...32 total

ref: mol2, SDF, SMILES, flexibase
2.79,4.9,-7.73,1,2,0, 282.059, 2

Similar to: 37003370,
92929
 
#97

ChemMol: 1034452
eMolecules: 723644
Molport: MolPort-001-772-055
Scientific Exchange (make on demand): T-083127
AK Scientific: V5613...28 total

ref: mol2, SDF, SMILES, flexibase
2.79,1.72,-5.96,1,2,0, 282.059, 2

Similar to: 6249827,
167282
 
#98

ChemMol: 1032281, 1033584
eMolecules: 45491134
Acros Organics: TL00665
AK Scientific: 5838AD
AKOS: AKOS015835486...39 total

ref: mol2, SDF, SMILES, flexibase
3.87,0.24,-37.94,0,1,-1, 272.065, 2
164847
 
#99

AK Scientific: 8065AD
Aldrich CPR: CDS003562|ALDRICH
Apollo Scientific: PC4039
Chembo Pharma: KB-84033, KB-189792
FineTech: FT-0617720...19 total

ref: mol2, SDF, SMILES, flexibase
5.01,1.25,-4.09,0,2,0, 298.083, 3

Similar to: 2379313,
2556116
 
#100

ChemMol: 1035934
AK Scientific: W3839
AKOS: AKOS015835585
Angene Building Blocks: AGN-PC-0KK7TB
Anward: ANW-22762...37 total

ref: mol2, SDF, SMILES, flexibase
4.73,1.24,-1.97,0,1,0, 366.902, 2

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 = 152 ) limit 0,100

Smiles were