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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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1692500
 
#1

ChemMol: 96707525
eMolecules: 593637
Molport: MolPort-001-790-225
Acros Organics: 13162
AK Scientific: R293...105 total

ref: mol2, SDF, SMILES, flexibase
2.76,-0.17,-3.32,1,1,0, 136.194, 2

Similar to: 5158314, 34370975, 34440987, 35875015, ... 4 in total.
12359419
 
#2

Alfa-Aesar: H27445
American Custom Chemicals Corp.: CHM0164879
Sigma Aldrich (Building Blocks): W335207|ALDRICH, 264733|ALDRICH
Tetrahedron Building Blocks: TS31436
TimTec: ST45398219...33 total

ref: mol2, SDF, SMILES, flexibase
1.26,4.26,-5.22,0,1,0, 98.145, 2
ref: mol2, SDF, SMILES, flexibase
1.26,4.3,-4.35,0,1,0, 98.145, 2
156868
 
#3

eMolecules: 479759
Molport: MolPort-001-783-861
Scientific Exchange (make on demand): K-084682
TCM Database @ Taiwan: 29527
Acros Organics: 12634...207 total

ref: mol2, SDF, SMILES, flexibase
2.11,5.13,-6.01,0,2,0, 136.15, 2

Similar to: 34370932, 34615554, 39252714,
1632727
 
#4

Alfa-Aesar: A18732
Ark Pharm Building Blocks: AK-42643
Chembo Pharma: KB-201469
Element Store BB: b2star-10031-90-0
NCI Plated 2007: 97529...19 total

ref: mol2, SDF, SMILES, flexibase
1.57,5.77,-5.86,0,3,0, 168.192, 5

Similar to: 32225864, 34950735, 39246110, 44200429, 44200431, ... 5 in total.
1586750
 
#5

TCM Database @ Taiwan: 28516
Acros Organics: 25959
Alfa-Aesar: B24390
Angene Building Blocks: AGN-PC-0JK8BS
Anward: ANW-16019...58 total

ref: mol2, SDF, SMILES, flexibase
2.74,2.58,-4.32,0,2,0, 144.214, 6

Similar to: 32151099, 32152264,
1481993
 
#6

ChemMol: 30100520
eMolecules: 475654
Molport: MolPort-000-872-015
TCM Database @ Taiwan: 36850, tcm03_002588, 31420
Acros Organics: 11299...257 total

ref: mol2, SDF, SMILES, flexibase
5.43,7.87,-2.46,1,1,0, 220.356, 2

Similar to: 2577829, 34375820, 39366226,
161718
 
#7

ChemMol: 1031265, 44004624, 30105481
eMolecules: 536885
Molport: MolPort-002-461-912
Acros Organics: 11548
AKOS: AKOS008969358...62 total

ref: mol2, SDF, SMILES, flexibase
1.73,3.48,-5.26,0,3,0, 163.176, 2
1681580
 
#8

ChemMol: 30100156, 2000172
eMolecules: 498722
Molport: MolPort-002-070-314
Acros Organics: 11474
AK Scientific: P225...54 total

ref: mol2, SDF, SMILES, flexibase
3.52,8.77,-8.47,0,1,0, 208.26, 0

Similar to: 5948460, 34469577, 39243442, 39256731, 39370009, ... 5 in total.
2015888
 
#9

ChemMol: 80101355, 30102234
eMolecules: 537700
Molport: MolPort-000-929-201
Scientific Exchange (make on demand): POD_14/0632
Acros Organics: 11395...44 total

ref: mol2, SDF, SMILES, flexibase
0.67,5.97,-7.82,0,5,0, 216.233, 8

Similar to: 34346592, 34346593, 34346594, 34346595, 34431296, ... 14 in total.
1555373
 
#10

ChemMol: 80101355, 30102234
eMolecules: 537700
Molport: MolPort-000-929-201
Scientific Exchange (make on demand): POD_14/0632
Acros Organics: 11395...43 total

ref: mol2, SDF, SMILES, flexibase
0.67,6.23,-13.23,0,5,0, 216.233, 8

Similar to: 2015888, 34346592, 34346593, 34346594, 34346595, ... 14 in total.
1587894
 
#11

AKOS: AKOS008105092
Anward: ANW-27697
Enamine Building Blocks: EN300-43087
Florida Heterocyclic Compounds: 25827
Fluorochem: 353057...26 total

ref: mol2, SDF, SMILES, flexibase
4.16,2.37,-10.1,0,2,0, 266.34, 7

Similar to: 32132012, 34468826, 34484858, 34535019, 34569451, ... 8 in total.
160592
 
#12

ChemMol: 83601041
eMolecules: 535720
Glutathione Transferrase GST-EFI: Cyclohexyl_Isothiocyanate_(CyclohexIso), Cyclohexyl
AK Scientific: 8926AC
AKOS: AKOS000120219...51 total

ref: mol2, SDF, SMILES, flexibase
3.51,-1.15,-1.46,0,1,0, 141.239, 1
1577259
 
#13

Acros Organics: 29249
Amadis Chemical: A848888
American Custom Chemicals Corp.: HCH0025724, CHM0237654
Anward: ANW-30574
BOC Sciences BB: 29576-14-5...29 total

ref: mol2, SDF, SMILES, flexibase
1.94,4.28,-1.24,0,0,0, 135.004, 1
136128
 
#14

AK Scientific: O344
Aromalake BB: LS10627
BioSynth: W-104089
Bosche Scientific: C10408
Chembo Pharma: KB-131494...26 total

ref: mol2, SDF, SMILES, flexibase
3.99,-0.15,-6.99,1,2,0, 232.666, 2

Similar to: 32156869, 34219422, 34319934, 36449848, 39343160, ... 5 in total.
3860257
 
#15

ChemMol: 30100592
eMolecules: 535883
Acros Organics: 10860
AKOS: AKOS003632854
Alfa-Aesar: B24522...52 total

ref: mol2, SDF, SMILES, flexibase
4.30,1.26,-8.07,0,2,0, 242.661, 0

Similar to: 1561769,
3860229
 
#16

ChemMol: 80101441
eMolecules: 482932
Molport: MolPort-001-766-707
Scientific Exchange (make on demand): POD_74/0725
AK Scientific: 9473AA...60 total

ref: mol2, SDF, SMILES, flexibase
6.19,9.01,-9.74,0,4,0, 364.404, 4

Similar to: 5781758, 15770218, 32136924, 33836343, 39279001, ... 13 in total.
54954741
 
#17

ChemMol: 30202771, 44004726, 30105624, 97800521
eMolecules: 531661, 2858697, 889244
Molport: MolPort-002-465-299, MolPort-002-497-769, MolPort-023-220-040, MolPort-000-000-941, MolPort-003-939-357
Acros Organics: 22926
ACT Chemical BB: ACT08510...162 total

ref: mol2, SDF, SMILES, flexibase
0.16,1.44,-3.48,2,3,0, 131.175, 3

Similar to: 39372981,
12405182
 
#18

Acros Organics: 33412
Enamine Building Blocks: EN300-36735
FineTech: FT-0607745
Fluorochem: 038197
J&K Chemical: A01284163...24 total

ref: mol2, SDF, SMILES, flexibase
-3.19,2.91,-32.39,0,3,1, 170.28, 5

Similar to: 19230202, 34582844, 8034743,
1841426
 
#19

ChemMol: 1037502, 30101162, 44007870
eMolecules: 483055
Molport: MolPort-000-871-192
Acros Organics: 16645
AKOS: AKOS000119741...74 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.54,-12.34,0,4,0, 196.202, 4

Similar to: 34464512, 34535227, 34585841, 38271866, ... 4 in total.
967715
 
#20

ChemMol: 1202415, 98000572, 30100102
eMolecules: 482492
Molport: MolPort-020-167-742, MolPort-000-871-510
Scientific Exchange (make on demand): F-415614
Acros Organics: 16522...93 total

ref: mol2, SDF, SMILES, flexibase
3.15,0.46,-2.34,2,1,0, 149.237, 2
388287
 
#21

Molport: MolPort-002-461-935
Acros Organics: 16460
Alfa-Aesar: A14070
Angene Building Blocks: AGN-PC-0CQNX3
Anward: ANW-32187...79 total

ref: mol2, SDF, SMILES, flexibase
1.30,3.61,-4.73,0,2,0, 102.133, 2

Similar to: 6416490,
180163
 
#22

Chembo Pharma: KB-71878
Element Store BB: b2star-64415-11-8
Sigma Aldrich (Building Blocks): 144193|ALDRICH
Tetrahedron Building Blocks: TS30930
Tractus: TRA0076823...11 total

ref: mol2, SDF, SMILES, flexibase
5.03,-0.61,-4.07,0,2,0, 271.172, 2
12405206
 
#23

AK Scientific: L999
Element Store BB: b2star-51811-82-6, b2star-531-53-3
FineTech: FT-0626691
Labotest: LT00080687
Molport BB: MolPort-003-926-012...25 total

ref: mol2, SDF, SMILES, flexibase
-0.93,-2.26,-24.86,2,3,1, 256.354, 0

Similar to: 34402202, 38522415, 5187389,
1587822
 
#24

ChemMol: 1031645, 30105466
eMolecules: 487451
Scientific Exchange (make on demand): F-441833
Acros Organics: 18788
AK Scientific: U709...64 total

ref: mol2, SDF, SMILES, flexibase
2.80,-0.39,-1.92,0,0,0, 210.039, 0
2003964
 
#25

Element Store BB: b2star-1497-19-4
Labotest: LT03331465
Sigma Aldrich (Building Blocks): 194956|ALDRICH
Tetrahedron Building Blocks: TS41520
TimTec: ST50824510...20 total

ref: mol2, SDF, SMILES, flexibase
0.92,1.77,-7.61,1,3,0, 155.197, 2

Similar to: 32136469, 32161227, 32161229, 34347119, 34347120, ... 14 in total.
2003966
 
#26

Element Store BB: b2star-1497-19-4
Labotest: LT03331465
Sigma Aldrich (Building Blocks): 194956|ALDRICH
Tetrahedron Building Blocks: TS41520
TimTec: ST50824510...21 total

ref: mol2, SDF, SMILES, flexibase
0.92,1.77,-7.62,1,3,0, 155.197, 2

Similar to: 32136469, 32161227, 32161229, 34347119, 34347120, ... 14 in total.
901097
 
#27

eMolecules: 487232
Molport: MolPort-000-004-477
Acros Organics: 18611
Alfa-Aesar: B24536
American Custom Chemicals Corp.: CCH0003967...95 total

ref: mol2, SDF, SMILES, flexibase
1.39,3.04,-4.03,1,1,0, 134.178, 0

Similar to: 32189406, 32189407, 32189408, 34583098, 36460678, ... 7 in total.
901099
 
#28

eMolecules: 487232
Molport: MolPort-000-004-477
Acros Organics: 18611
AK Scientific: V1332
Alfa-Aesar: B24536...89 total

ref: mol2, SDF, SMILES, flexibase
1.39,3.03,-4.09,1,1,0, 134.178, 0

Similar to: 32189406, 32189407, 32189408, 34583098, 36460678, ... 7 in total.
388483
 
#29

Acros Organics: 18137
AK Scientific: V2345
Alfa-Aesar: L04503
Angene Building Blocks: AGN-PC-0JKADU
Anward: ANW-33942...58 total

ref: mol2, SDF, SMILES, flexibase
0.48,3.05,-7.03,0,2,0, 101.149, 2
61509
 
#30

eMolecules: 486414
Acros Organics: 18058
Alfa-Aesar: A14171, H51104, A13220
Anward: ANW-17515
Ark Pharm Building Blocks: AK-44758...116 total

ref: mol2, SDF, SMILES, flexibase
2.28,5.82,-6.96,0,4,0, 194.186, 4

Similar to: 163686, 26516029, 34370932, 34615554, 39252714, ... 6 in total.
1648278
 
#31

Alfa-Aesar: A16107
Angene Building Blocks: AGN-PC-0BU4Z5
Anward: ANW-28161
Apexmol Building Blocks: AM86893
Apollo Scientific: PC4320...76 total

ref: mol2, SDF, SMILES, flexibase
2.53,5.22,-2.83,0,0,0, 110.131, 0

Similar to: 1702541,
12243843
 
#32

ChemMol: 80101320
eMolecules: 484053
Scientific Exchange (make on demand): Z-028451
Acros Organics: 27752
AK Scientific: U548...80 total

ref: mol2, SDF, SMILES, flexibase
2.10,6.23,-9.35,0,6,0, 372.502, 0

Similar to: 32218228, 32218229, 32218230, 32218231, ... 13 in total.
3896104
 
#33

ChemMol: 80101320
eMolecules: 484053
Scientific Exchange (make on demand): Z-028451
Acros Organics: 27752
AK Scientific: U548...79 total

ref: mol2, SDF, SMILES, flexibase
2.10,6.86,-9.54,0,6,0, 372.502, 0

Similar to: 4262182, 4262183, 4262185, 4262186, 4262187, ... 37 in total.
3896103
 
#34

ChemMol: 80101320
eMolecules: 484053
Scientific Exchange (make on demand): Z-028451
Acros Organics: 27752
AK Scientific: U548...79 total

ref: mol2, SDF, SMILES, flexibase
2.10,-3.15,-8.64,0,6,0, 372.502, 0

Similar to: 4262182, 4262183, 4262185, 4262186, 4262187, ... 37 in total.
3896102
 
#35

ChemMol: 80101320
eMolecules: 484053
Scientific Exchange (make on demand): Z-028451
Acros Organics: 27752
AK Scientific: U548...79 total

ref: mol2, SDF, SMILES, flexibase
2.10,6.28,-5.34,0,6,0, 372.502, 0

Similar to: 4262182, 4262183, 4262185, 4262186, 4262187, ... 41 in total.
1686999
 
#36

ChemMol: 30106386
AKOS: AKOS003632549
Alfa-Aesar: B24825
Anward: ANW-24758
APIChem: AC-23677...60 total

ref: mol2, SDF, SMILES, flexibase
3.15,1.42,-5,0,1,0, 158.2, 1

Similar to: 34950947,
409361
 
#37

Alfa-Aesar: L05516
Angene Building Blocks: AGN-PC-0JL4H1
Anward: ANW-14235
Element Store BB: b2star-10031-87-5
FineTech: FT-0612265...24 total

ref: mol2, SDF, SMILES, flexibase
2.51,3.02,-4.61,0,2,0, 144.214, 5

Similar to: 32147412, 38233948, 38233949,
4521094
 
#38

ChemMol: 30114354, 44001168
AK Scientific: Q129
Angene Building Blocks: AGN-PC-05WODG
Anward: ANW-26417
Apexmol Building Blocks: AM20090365...46 total

ref: mol2, SDF, SMILES, flexibase
-0.40,-2.85,-9.94,1,4,0, 129.115, 2

Similar to: 4521093,
4521093
 
#39

ChemMol: 30114354, 44001168
AK Scientific: Q129
Angene Building Blocks: AGN-PC-05WODG
Anward: ANW-26417
Apexmol Building Blocks: AM20090365...45 total

ref: mol2, SDF, SMILES, flexibase
-0.40,-2.51,-9.74,1,4,0, 129.115, 2

Similar to: 4521094,
12358918
 
#40

ChemMol: 1037495, 30104463
eMolecules: 492918
Scientific Exchange (make on demand): M-405296
Acros Organics: SB01828, 40700
AKOS: AKOS000121474...78 total

ref: mol2, SDF, SMILES, flexibase
2.72,-0.51,-5.84,1,2,0, 191.013, 1

Similar to: 22129866, 39255353, 6224159,
167220
 
#41

eMolecules: 492218
AKOS: AKOS000212347
Alfa-Aesar: A12693
Anward: ANW-24394
Apexmol Building Blocks: AM83107...49 total

ref: mol2, SDF, SMILES, flexibase
3.98,0.19,-2.56,0,1,0, 169.636, 1
407105
 
#42

ChemMol: 98000037, 1035774, 44002708, 30102559, 1200762
AK Scientific: X8246
Alfa-Aesar: A11962
Angene Building Blocks: AGN-PC-0JL7WO
Anward: ANW-27429...56 total

ref: mol2, SDF, SMILES, flexibase
3.09,5.28,-1.75,0,0,0, 210.98, 0
4528806
 
#43

ChemMol: 44016787
eMolecules: 206843042
L99A non-binders: BENZALDEHYDE-OXIME
Molport: MolPort-000-883-500
AK Scientific: R588...91 total

ref: mol2, SDF, SMILES, flexibase
2.36,2.47,-5.63,1,2,0, 121.139, 1
ref: mol2, SDF, SMILES, flexibase
1.54,2.55,-3.29,0,2,0, 121.139, 2
ref: mol2, SDF, SMILES, flexibase
2.36,2.32,-5.07,1,2,0, 121.139, 1

Similar to: 33838556,
19230125
 
#44

eMolecules: 206842940
Glutathione Transferrase GST-EFI: trans-4-phenyl-3-but, trans-4-phenyl-3-buten-2-one_(tPBO)
Molport: MolPort-001-779-702
TCM Database @ Taiwan: tcm03_006776
Acros Organics: 38559...116 total

ref: mol2, SDF, SMILES, flexibase
2.21,6.29,-6.25,0,1,0, 146.189, 2

Similar to: 26506281, 34565707, 39127896, 39128037, ... 5 in total.
1577077
 
#45

ChemMol: 44004582
Molport: MolPort-001-779-998
Scientific Exchange (make on demand): F-369031
Acros Organics: 21010
AK Scientific: U461...60 total

ref: mol2, SDF, SMILES, flexibase
0.21,0.01,-3.12,1,1,0, 92.163, 2
1706168
 
#46

ChemMol: 30101295, 1202295, 44008539, 98000062, 1034575
AK Scientific: X8282
Alfa-Aesar: A15055
APIChem: AC-11403
Apollo Scientific: PC3590...48 total

ref: mol2, SDF, SMILES, flexibase
2.97,5.55,-3.2,0,0,0, 164.101, 1
1232570
 
#47

eMolecules: 489003
Molport: MolPort-001-822-763
AKOS: AKOS001595170
Chembo Pharma: KB-66820
ChemBridge: 5213781...22 total

ref: mol2, SDF, SMILES, flexibase
5.86,0.63,-7.88,0,2,0, 297.357, 3

Similar to: 1615338, 1710746, 3178432, 3672235, 3860229, ... 15 in total.
6015687
 
#48

ChemMol: 30113257, 44028710
eMolecules: 488271
Molport: MolPort-001-781-989
Scientific Exchange (make on demand): F-249391
AK Scientific: K688...77 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.32,-3.59,0,2,0, 163.22, 1

Similar to: 32009052, 34531120, 38417014,
54954611
 
#49

ChemMol: 30202627, 83601462
eMolecules: 489397
Molport: MolPort-002-497-762, MolPort-002-912-063
Acros Organics: 20541
AKOS: AKOS015845152...83 total

ref: mol2, SDF, SMILES, flexibase
0.21,2.93,-6.12,2,3,0, 177.269, 6
164528
 
#50

ChemMol: 97806447, 44003416, 1035823
eMolecules: 489275
Acros Organics: 20449
Alfa-Aesar: A12411
Anward: ANW-27994...49 total

ref: mol2, SDF, SMILES, flexibase
3.14,5.62,-3.44,0,0,0, 222, 0
19594040
 
#51

eMolecules: 523896
AKOS: AKOS000671628
ChemDiv: 0774-1097
Element Store BB: b2star-58395-00-9
Enamine: Z90339318...23 total

ref: mol2, SDF, SMILES, flexibase
4.55,10.29,-12.07,1,5,0, 347.386, 7

Similar to: 34600082, 34600083, 34647430, 34647431, ... 4 in total.
1532246
 
#52

eMolecules: 493801
Molport: MolPort-001-769-687
TCM Database @ Taiwan: 26490
Acros Organics: 11046
AK Scientific: M190...131 total

ref: mol2, SDF, SMILES, flexibase
3.15,4.21,-2.77,1,1,0, 156.269, 5

Similar to: 1532632, 1532633, 1532634, 5761757, 5761758, ... 34 in total.
1666982
 
#53

ChemMol: 98000273, 1202479
eMolecules: 488164
Molport: MolPort-001-789-043
Acros Organics: 10800
AK Scientific: K768...232 total

ref: mol2, SDF, SMILES, flexibase
3.16,3.96,-3.26,1,1,0, 150.221, 1
1694854
 
#54

American Custom Chemicals Corp.: CHM0117004
Angene Building Blocks: AGN-PC-0JKKPE
Molport BB: MolPort-003-960-101
Sigma Aldrich (Building Blocks): W335401|ALDRICH, W335400|ALDRICH
Tractus: TRA0036304...16 total

ref: mol2, SDF, SMILES, flexibase
3.52,2.91,-4.7,0,2,0, 170.252, 7
1641089
 
#55

ChemMol: 1032485, 1034072, 1034756, 1033785
eMolecules: 484972
Acros Organics: 17371
AKOS: AKOS000120953
Alfa-Aesar: A12586...76 total

ref: mol2, SDF, SMILES, flexibase
4.40,10.03,-4.17,0,0,0, 218.346, 3

Similar to: 32192521,
2013560
 
#56

ChemMol: 1030499, 1030500, 97602533
Molport: MolPort-001-779-759
Acorn PharmaTech: ACN-S002381
Acros Organics: 12941
AK Scientific: 5683AB...151 total

ref: mol2, SDF, SMILES, flexibase
3.00,-0.6,-2.11,1,1,0, 130.231, 5
1653215
 
#57

ChemMol: 1030500, 97602534, 1030499
Molport: MolPort-001-779-759
Acorn PharmaTech: ACN-S002381
Acros Organics: 12941, 16459
AK Scientific: Z6063...150 total

ref: mol2, SDF, SMILES, flexibase
3.00,-0.6,-1.77,1,1,0, 130.231, 5

Similar to: 2164183, 2164185, 4029049, 4029050, 4416057, ... 20 in total.
409285
 
#58

AK Scientific: 6013AC
Ark Pharm Building Blocks: AK122381
BioSynth: W-100224
Element Store BB: b2star-93-92-5
FineTech: FT-0621738...42 total

ref: mol2, SDF, SMILES, flexibase
2.34,2.71,-5.87,0,2,0, 164.204, 3

Similar to: 5832751, 5832988, 32141624, 32161487, 33961543, ... 24 in total.
409284
 
#59

AK Scientific: 6013AC
Ark Pharm Building Blocks: AK122381
BioSynth: W-100224
Element Store BB: b2star-93-92-5
FineTech: FT-0628865...43 total

ref: mol2, SDF, SMILES, flexibase
2.34,2.72,-5.95,0,2,0, 164.204, 3

Similar to: 5832751, 5832988, 32141624, 32161487, 33961543, ... 24 in total.
1686938
 
#60

Molport: MolPort-001-791-606
AK Scientific: 2025AB
Angene Building Blocks: AGN-PC-07Y4TD
Anward: ANW-20579
Ark Pharm Building Blocks: AK-59170...125 total

ref: mol2, SDF, SMILES, flexibase
4.58,5.68,-3.17,1,1,0, 206.329, 3

Similar to: 5838454, 5841900, 34565674, 34565675, ... 4 in total.
4096672
 
#61

American Custom Chemicals Corp.: SHG0000066
BioSynth: Q-200603
Labotest: LT00138174
Prestwick Chemical: 899, Prestw-899
Sequoia Research Products: 382-45-6...34 total

ref: mol2, SDF, SMILES, flexibase
1.96,8.62,-13.9,0,3,0, 300.398, 0

Similar to: 5534977, 5534993, 8580942, 16248890, 16248892, ... 12 in total.
2140809
 
#62

ChemMol: 1200662, 98000114
Acros Organics: 29722
Alfa-Aesar: A17920
Anward: ANW-36202
Apollo Scientific: PC2723...43 total

ref: mol2, SDF, SMILES, flexibase
2.65,2.69,-5.4,0,1,0, 176.549, 1

Similar to: 2545260,
2067
 
#63

ChemMol: 30101104, 44001577
eMolecules: 492331
Molport: MolPort-000-881-854
TCM Database @ Taiwan: tcm03_007599, 30501
AK Scientific: V0135...56 total

ref: mol2, SDF, SMILES, flexibase
1.64,5.22,-12.34,0,4,0, 206.197, 2
167195
 
#64

ChemMol: 83601029
Acros Organics: TL00490, 29225
AKOS: AKOS000212296
Alfa-Aesar: A11999
BroadPharm: BP-12935...33 total

ref: mol2, SDF, SMILES, flexibase
3.96,0.19,-3.17,0,1,0, 169.636, 1
2166946
 
#65

ChemMol: 30110922, 44010935
Acorn PharmaTech: ACN-S004024
Acros Organics: 12414
AK Scientific: R996
AKOS: AKOS005146359...38 total

ref: mol2, SDF, SMILES, flexibase
2.63,7.4,-7.04,0,2,0, 220.275, 3

Similar to: 32253869, 34464508, 34522942, 34544215, 38810076, ... 5 in total.
4262348
 
#66

ChemMol: 44002477
eMolecules: 491865
Molport: MolPort-002-462-002
Scientific Exchange (make on demand): M-981891
TCM Database @ Taiwan: 29622...70 total

ref: mol2, SDF, SMILES, flexibase
1.02,2.29,-4.89,0,2,0, 108.144, 1

Similar to: 5688625,
120149
 
#67

ChemMol: 44015652
Apollo Scientific: PC1099
Bosche Scientific: A8592
Chembo Pharma: KB-71999
FineTech: FT-0617446...24 total

ref: mol2, SDF, SMILES, flexibase
1.54,3,-5.25,2,2,0, 190.099, 0
4528811
 
#68

ChemMol: 1201543
Molport: MolPort-002-317-293
AKOS: AKOS015910177
Alfa-Aesar: 16445
BioSynth: Q-201881...61 total

ref: mol2, SDF, SMILES, flexibase
2.78,9.01,-12.72,0,6,0, 296.319, 13

Similar to: 5819244, 5819480,
1733846
 
#69

ChemMol: 1030221, 44000665
eMolecules: 485032
Acros Organics: 27804
AK Scientific: Q775
AKOS: AKOS015836017...54 total

ref: mol2, SDF, SMILES, flexibase
2.51,1.42,-6.03,0,2,0, 229.073, 4

Similar to: 6096380, 32231736, 39648153,
2242628
 
#70

Molport: MolPort-002-497-861
AKOS: AKOS015852710
Anward: ANW-33554
Apollo Scientific: PC5561
Chembo Pharma: KB-67064...45 total

ref: mol2, SDF, SMILES, flexibase
4.35,1.18,-6.73,1,1,0, 276.257, 2

Similar to: 4283648, 32253515, 32253516, 34529645, 34586499, ... 8 in total.
3954158
 
#71

Angene Building Blocks: AGN-PC-0JLR88
Ark Pharm Building Blocks: AK-59037
BioSynth: W-106175
Molport BB: MolPort-006-111-084
NCI Plated 2007: 83628...59 total

ref: mol2, SDF, SMILES, flexibase
-0.27,5.06,-27.51,1,3,1, 196.233, 2

Similar to: 5161939, 34227481,
395670
 
#72

AK Scientific: V0891
Anward: ANW-47963
Ark Pharm Building Blocks: AK-58181
BePharm Building Blocks: B87375
Chembo Pharma: KB-32221...22 total

ref: mol2, SDF, SMILES, flexibase
0.23,1.79,-8.62,1,2,0, 138.166, 2

Similar to: 33787715,
12405046
 
#73

Acros Organics: 18882
AK Scientific: H418
AKOS: AKOS008903582
Angene Building Blocks: AGN-PC-0BTO47
Anward: ANW-30429...75 total

ref: mol2, SDF, SMILES, flexibase
2.46,5.46,-4.32,0,2,0, 142.198, 2

Similar to: 20357948, 31490338, 32135058, 32153542, 32153546, ... 19 in total.
1559981
 
#74

ChemMol: 44010626, 30100963
Acros Organics: 22289, 18615
AKOS: AKOS015833014, AKOS015833144
Alfa-Aesar: B23941, A10345, B22837
Anward: ANW-25696...169 total

ref: mol2, SDF, SMILES, flexibase
2.27,13.52,-29.57,0,1,1, 276.488, 11

Similar to: 31283650, 33945391, 34566301, 34874745, 38418174, ... 8 in total.
18060741
 
#75

ChemMol: 2200657, 80100664
Scientific Exchange (make on demand): POD_74/0404
American Custom Chemicals Corp.: CHM0025349, CHM0028393
Anward: ANW-13577, ANW-27901
Ark Pharm Building Blocks: AK139329...96 total

ref: mol2, SDF, SMILES, flexibase
3.21,4.73,-7.99,2,3,0, 197.241, 2

Similar to: 33802606, 6095699, 4272010,
3861288
 
#76

Acros Organics: 42154
Alfa-Aesar: B23906
Angene Building Blocks: AGN-PC-0JK7T7
Anward: ANW-38921
BePharm Building Blocks: B22954...69 total

ref: mol2, SDF, SMILES, flexibase
0.18,3.38,-2.48,0,6,0, 232.41, 0
39171348
 
#77

Sigma Aldrich (Building Blocks): 684414|ALDRICH
Otava (Virtual): 7436308
UORSY Make-on-demand: PB352772472
PubChem: 10681878
SureChEMBL: SCHEMBL7455247...7 total

ref: mol2, SDF, SMILES, flexibase
2.10,-1.24,-9,3,6,0, 246.307, 6
1995222
 
#78

ChemMol: 1037807
AK Scientific: 8752AA
Alfa-Aesar: B20456
Angene Building Blocks: AGN-PC-0H0SKF
Anward: ANW-22461...40 total

ref: mol2, SDF, SMILES, flexibase
2.82,1.95,-3.58,0,1,0, 136.194, 1

Similar to: 34628601,
1672862
 
#79

AK Scientific: I475
Alfa-Aesar: B23663
Anward: ANW-32069
Ark Pharm Building Blocks: AK114550
BePharm Building Blocks: B34035...46 total

ref: mol2, SDF, SMILES, flexibase
-0.27,3.94,-15.76,0,2,0, 94.117, 2
2567934
 
#80

ChemMol: 30100814
eMolecules: 475326
Scientific Exchange (make on demand): M-148042
Acros Organics: 15603
AK Scientific: I915...119 total

ref: mol2, SDF, SMILES, flexibase
1.44,2.31,-8.58,1,3,0, 166.176, 3
hi: mol2, SDF, SMILES, flexibase
1.44,3.24,-46.72,0,3,-1, 165.168, 3

Similar to: 34559270, 34591420, 39372261,
2031170
 
#81

Anward: ANW-36778
Element Store BB: b2star-763-30-4
Sigma Aldrich (Building Blocks): 118710|ALDRICH
TCI: M0616
Tractus: TRA0083875...17 total

ref: mol2, SDF, SMILES, flexibase
2.42,4.69,-0.53,0,0,0, 82.146, 2
17821066
 
#82

ChemMol: 44026802, 30106485
eMolecules: 479007, 16525297
Molport: MolPort-008-323-006, MolPort-001-770-156
Scientific Exchange (make on demand): Z-098448
Acros Organics: 15153...99 total

ref: mol2, SDF, SMILES, flexibase
2.73,4.13,-10.76,1,3,0, 173.171, 1
ref: mol2, SDF, SMILES, flexibase
2.06,4.35,-12.26,1,3,0, 173.171, 0
hi: mol2, SDF, SMILES, flexibase
2.06,5.59,-64.38,0,3,-1, 172.163, 0
hi: mol2, SDF, SMILES, flexibase
2.06,3.8,-54.15,0,3,-1, 172.163, 0

Similar to: 36374285, 8210099,
1697400
 
#83

Acros Organics: 38552
Alfa-Aesar: B20680
Anward: ANW-15337
BOC Sciences BB: 106-36-5
Indofine: CS-904...44 total

ref: mol2, SDF, SMILES, flexibase
1.62,4.66,-4.7,0,2,0, 116.16, 4

Similar to: 39347478,
1699998
 
#84

Acros Organics: 33532
Alfa-Aesar: B22356
American Custom Chemicals Corp.: CHM0005031
Anward: ANW-29731, ANW-33081
Element Store BB: b2star-589-35-5...54 total

ref: mol2, SDF, SMILES, flexibase
1.58,1.51,-2.34,1,1,0, 102.177, 3

Similar to: 2578839, 36447741, 39252274, 39252276, 39258934, ... 5 in total.
2034637
 
#85

Acros Organics: 33532
Alfa-Aesar: B22356
Anward: ANW-33081
Element Store BB: b2star-589-35-5
FineTech: FT-0616038...47 total

ref: mol2, SDF, SMILES, flexibase
1.58,1.52,-2.34,1,1,0, 102.177, 3

Similar to: 2578839, 36447741, 39252274, 39252276, 39258934, ... 5 in total.
1706746
 
#86

eMolecules: 478548
Molport: MolPort-001-793-397
Acros Organics: 14944
Alfa-Aesar: L16015
Anward: ANW-15984...114 total

ref: mol2, SDF, SMILES, flexibase
2.79,2.65,-3.84,0,1,0, 142.242, 4

Similar to: 1845920, 1587735, 1587700,
1648177
 
#87

ChemMol: 83601143
eMolecules: 477698
Molport: MolPort-001-759-310
Acros Organics: 14655
Alfa-Aesar: B21222...76 total

ref: mol2, SDF, SMILES, flexibase
2.36,1.95,-4.61,0,1,0, 114.188, 4
8294952
 
#88

ChemMol: 1036108
L99A non-binders: 1-VINYLIMIDAZOLE
L99A/M102Q non-binders: 1-VINYLIMIDAZOLE
Alfa-Aesar: L16174
Angene Building Blocks: AGN-PC-0JL713...98 total

ref: mol2, SDF, SMILES, flexibase
0.30,4.66,-6.2,0,2,0, 94.117, 1
mid: mol2, SDF, SMILES, flexibase
0.30,5.17,-29.59,1,2,1, 95.125, 1

Similar to: 33835591, 5853223,
2149580
 
#89

ChemMol: 97801040, 44010262
Acorn PharmaTech: ACN-S002430
Acros Organics: 39775
AK Scientific: S180
Alfa-Aesar: L17651...39 total

ref: mol2, SDF, SMILES, flexibase
1.41,3.85,-10.87,0,5,0, 252.247, 8

Similar to: 38222360, 38257208,
389634
 
#90

AKOS: AKOS003626438
Alfa-Aesar: L04108
Ark Pharm Building Blocks: AK121817
Bide Pharmatech BB: BD124194
Chembo Pharma: KB-76497...38 total

ref: mol2, SDF, SMILES, flexibase
2.90,-2.33,-14.63,0,2,0, 246.331, 4

Similar to: 26478554, 32189335, 33823143, 34529657, 34618951, ... 8 in total.
12958304
 
#91

ChemMol: 44000183, 96700637, 42303021, 30100146, 97801055, 1032170
eMolecules: 1970397, 478524
Scientific Exchange (make on demand): R-091663
Acros Organics: 14929
Alfa-Aesar: A18195...115 total

ref: mol2, SDF, SMILES, flexibase
0.43,3.02,-10.14,3,5,0, 169.575, 0
hi: mol2, SDF, SMILES, flexibase
0.43,2.48,-37.03,2,5,-1, 168.567, 0

Similar to: 34583173, 6523923,
167112
 
#92

ChemMol: 98001140, 44003401, 1200438, 1031451, 30105825
eMolecules: 499250
AK Scientific: L578
Alfa-Aesar: A13124
Angene Building Blocks: AGN-PC-0JL7XB...63 total

ref: mol2, SDF, SMILES, flexibase
2.66,4.12,-4.63,0,2,0, 187.12, 2

Similar to: 2382227,
2149541
 
#93

ChemMol: 44019389
Molport: MolPort-002-502-004
AK Scientific: Z5521
AKOS: AKOS015839944
Alfa-Aesar: H55825...29 total

ref: mol2, SDF, SMILES, flexibase
6.36,12.86,-5.4,0,1,0, 263.384, 6

Similar to: 32264389, 32264391,
1532549
 
#94

Acros Organics: 25797
AK Scientific: Y1289
Alfa-Aesar: B21448
BioBlocks BB: ZERO/013003
BioSynth: M-1000...61 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-10.01,-7.84,5,6,0, 180.156, 1

Similar to: 2545114, 2597049, 3606262, 3830678, 3830679, ... 13 in total.
4097150
 
#95

Acros Organics: 25802
BioBlocks BB: ZERO/013003
BioSynth: M-1000, W-200201
Chemical Block BB: ZERO/013003
J&K Chemical: A01196857...48 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-12.18,-9.24,5,6,0, 180.156, 1

Similar to: 895026, 895055, 895084, 895350, 896165, ... 9 in total.
896169
 
#96

eMolecules: 4793049, 4792250, 901748, 4792815
Molport: MolPort-001-780-232, MolPort-002-513-640
AKOS: AKOS000119941
BioBlocks BB: ZERO/013003
BioSynth: J-200004...240 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-11.46,-8.8,5,6,0, 180.156, 1

Similar to: 3954528, 4090206, 4095659, 4095660, 4097150, ... 29 in total.
3830679
 
#97

ChemMol: 30101057
eMolecules: 4792250, 4792815, 901748, 525589, 4793049
Molport: MolPort-002-513-640, MolPort-001-780-232
TCM Database @ Taiwan: tcm03_005189
Acros Organics: 15060...317 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-10.26,-8.6,5,6,0, 180.156, 1

Similar to: 1529206, 1532520, 1532549, 1532557, 1532676, ... 8 in total.
4245654
 
#98

ChemMol: 44000013
eMolecules: 5778645, 972738
Molport: MolPort-035-395-786, MolPort-002-911-505
Acros Organics: 25557
AK Scientific: X6695...101 total

ref: mol2, SDF, SMILES, flexibase
-2.99,-6.2,-12.14,4,6,0, 178.14, 2
ref: mol2, SDF, SMILES, flexibase
-2.99,-7.01,-9.83,4,6,0, 178.14, 2
ref: mol2, SDF, SMILES, flexibase
-2.99,-7.03,-10.35,4,6,0, 178.14, 2

Similar to: 2387174, 2597099, 895467, 895502, 895720, ... 9 in total.
4261993
 
#99

Acros Organics: 25026
Alfa-Aesar: L06743
Angene Building Blocks: AGN-PC-0JKHE9
Anward: ANW-42226
BioSynth: Q-201079...39 total

ref: mol2, SDF, SMILES, flexibase
2.18,5.16,-4.38,0,2,0, 130.187, 4

Similar to: 39348518, 39348519, 4261992,
4261992
 
#100

Acros Organics: 25026
Alfa-Aesar: L06743
Angene Building Blocks: AGN-PC-0JKHE9
Anward: ANW-42226
BioSynth: Q-201079...41 total

ref: mol2, SDF, SMILES, flexibase
2.18,5.16,-4.38,0,2,0, 130.187, 4

Similar to: 4261993, 5835459, 39348518, 39348519, ... 4 in 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 = 6 ) limit 0,100

Smiles were