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5127789
 
#1

ChemMol: 44001480, 30100988
APIChem: AC-3200
Indofine: 027024
Labotest: LT00454797
Labotest Building Blocks: LT00454797...25 total

ref: mol2, SDF, SMILES, flexibase
-1.82,-4.36,-29.95,4,9,0, 268.229, 2
hi: mol2, SDF, SMILES, flexibase
-1.36,-5.48,-60.84,3,9,-1, 267.221, 2

Similar to: 8613160, 8613161, 8614390, 8652273, 8652274, ... 32 in total.
8855117
 
#2

ChemMol: 44001480, 30100988
Molport: MolPort-023-220-188
Acros Organics: 12225
Aldrich CPR: R464511|ALDRICH
Alfa-Aesar: A14459...234 total

ref: mol2, SDF, SMILES, flexibase
-1.82,-4.43,-23.87,4,9,0, 268.229, 2
hi: mol2, SDF, SMILES, flexibase
-1.36,-6.52,-59.54,3,9,-1, 267.221, 2

Similar to: 12898556, 12898564, 16953713, 16953715, 16953716, ... 42 in total.
1905
 
#3

Alfa-Aesar: L16185
Chembo Pharma: KB-10684
ChemDiv BuildingBlocks: BB01-7989
Element Store BB: b2star-54-95-5
FineTech: FT-0606981...78 total

ref: mol2, SDF, SMILES, flexibase
0.51,2.96,-10.94,0,4,0, 138.174, 0
3861806
 
#4

ChemMol: 44002002, 30101274
eMolecules: 531049
TCM Database @ Taiwan: tcm03_006957
Acros Organics: 22841
Aldrich CPR: S284386|ALDRICH...174 total

ref: mol2, SDF, SMILES, flexibase
1.32,4.95,-16.81,1,8,0, 414.41, 4

Similar to: 4098919, 4098920, 4475321, 11682059, 16969582, ... 13 in total.
601254
 
#5

AK Scientific: H024
AKOS: AKOS015897109
Anward: ANW-46001
BePharm Building Blocks: B140044
BioSynth: Q-201399...96 total

ref: mol2, SDF, SMILES, flexibase
2.77,3.79,-17.4,3,6,0, 365.842, 2

Similar to: 896755,
896755
 
#6

AK Scientific: H024
AKOS: AKOS015897109
Anward: ANW-46001
BePharm Building Blocks: B140044
BioSynth: Q-201399...87 total

ref: mol2, SDF, SMILES, flexibase
2.77,3.71,-17.08,3,6,0, 365.842, 2

Similar to: 601254,
19796158
 
#7

Molport: MolPort-003-666-776
AK Scientific: O287
Apollo Scientific Bioactives: BIL2251
BioSynth: W-107092
BOC Sciences BB: 27833-64-3...104 total

ref: mol2, SDF, SMILES, flexibase
4.25,7.92,-8.16,0,4,0, 327.815, 1

Similar to: 32165435, 32232458, 34636169,
607939
 
#8

ChemMol: 97900499, 30113828
Active BioPharma: 1081
AK Scientific: K297
AKOS: AKOS015895129
APIChem: AC-8539...100 total

ref: mol2, SDF, SMILES, flexibase
3.81,8.59,-22.3,1,8,0, 371.393, 6

Similar to: 22001248,
22001248
 
#9

ChemMol: 97900499, 30113828
Active BioPharma: 1081
AK Scientific: K297
AKOS: AKOS015895129
APIChem: AC-8539...92 total

ref: mol2, SDF, SMILES, flexibase
3.81,8.58,-22.86,1,8,0, 371.393, 6

Similar to: 34443533, 607939, 608297,
1341
 
#10

ChemMol: 44007784
AK Scientific: Y5827
Angene Building Blocks: AGN-PC-0JK8H4
Anward: ANW-64241
Ark Pharm Building Blocks: AK142276...106 total

ref: mol2, SDF, SMILES, flexibase
-2.06,4.96,-29.63,1,2,1, 166.244, 2
hi: mol2, SDF, SMILES, flexibase
-2.06,5.72,-41.43,0,2,0, 165.236, 2
133
 
#11

ChemMol: 97900465
Active BioPharma: 1007
AK Scientific: V0146
Anward: ANW-42456
Ark Pharm Building Blocks: AK116027...63 total

ref: mol2, SDF, SMILES, flexibase
1.44,3.11,-13.33,0,4,0, 273.741, 1
4175599
 
#12

MicroSource Pharmakon: 01701060
MicroSource World Drugs: 01701060
Collaborative Drug Discovery: 14261
IBM Patent Data: 136224041
MicroSource Spectrum: 01701060...19 total

ref: mol2, SDF, SMILES, flexibase
2.86,7.53,-9.7,1,3,0, 330.468, 1

Similar to: 2120514, 2509584, 2944385, 3651055, 4026263, ... 9 in total.
4175601
 
#13

MicroSource Pharmakon: 01701060
MicroSource World Drugs: 01701060
Collaborative Drug Discovery: 14261
MicroSource Spectrum: 01701060
PubChem: 18635643...17 total

ref: mol2, SDF, SMILES, flexibase
2.86,8.23,-10.11,1,3,0, 330.468, 1

Similar to: 2120514, 2509584, 2944385, 3651055, 4026263, ... 9 in total.
4175603
 
#14

MicroSource Pharmakon: 01701060
MicroSource World Drugs: 01701060
Collaborative Drug Discovery: 14261
IBM Patent Data: 136224041
MicroSource Spectrum: 01701060...17 total

ref: mol2, SDF, SMILES, flexibase
2.86,7.36,-9.61,1,3,0, 330.468, 1

Similar to: 37117456, 37117457, 2120514, 2509584, 2944385, ... 11 in total.
2944385
 
#15

MicroSource Pharmakon: 01701060
MicroSource World Drugs: 01701060
Collaborative Drug Discovery: 14261
MicroSource Spectrum: 01701060
PubChem: 7076391...15 total

ref: mol2, SDF, SMILES, flexibase
2.86,7.5,-10.57,1,3,0, 330.468, 1

Similar to: 3651055, 4026263, 4026264, 4081723, 4081725, ... 41 in total.
3984048
 
#16

TCM Database @ Taiwan: tcm03_001650
MicroSource Pharmakon: 01701028
MicroSource World Drugs: 01701028
Specs Natural Products: AA-504/07224047
Alfa-Aesar (Depleted): J64182...26 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.8,-14.45,2,5,0, 360.45, 2

Similar to: 3984049, 3984050, 3984051, 4083557, 4535851, ... 25 in total.
3984049
 
#17

MicroSource Pharmakon: 01701028
MicroSource World Drugs: 01701028
Specs Natural Products: AA-504/07224047
Alfa-Aesar (Depleted): J64182
Collaborative Drug Discovery: 14262...24 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.32,-16.13,2,5,0, 360.45, 2

Similar to: 3984050, 3984051, 4083557, 4535851, 4915785, ... 25 in total.
3984050
 
#18

MicroSource Pharmakon: 01701028
MicroSource World Drugs: 01701028
Specs Natural Products: AA-504/07224047
Alfa-Aesar (Depleted): J64182
Collaborative Drug Discovery: 14262...24 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.74,-19.42,2,5,0, 360.45, 2

Similar to: 3984051, 4083557, 4535851, 4915785, 8602997, ... 25 in total.
3984051
 
#19

MicroSource Pharmakon: 01701028
MicroSource World Drugs: 01701028
Specs Natural Products: AA-504/07224047
Alfa-Aesar (Depleted): J64182
Collaborative Drug Discovery: 14262...27 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.71,-15.34,2,5,0, 360.45, 2

Similar to: 4083557, 4535851, 4915785, 33830324, 33830325, ... 18 in total.
1291
 
#20

ChemMol: 98000807, 1201207, 30101218
Molport: MolPort-002-317-244
Scientific Exchange (make on demand): POD_28/0817
Acros Organics: 11457
AKOS: AKOS003852835...93 total

ref: mol2, SDF, SMILES, flexibase
2.08,6.93,-8.5,0,2,0, 191.274, 3

Similar to: 496649,
12402849
 
#21

MicroSource Pharmakon: 01601000
MicroSource World Drugs: 01601000
Collaborative Drug Discovery: 15361
MicroSource Spectrum: 01601000
PubChem: 59965049...13 total

ref: mol2, SDF, SMILES, flexibase
4.11,10.9,-13.8,1,5,0, 390.52, 7

Similar to: 43772721, 43772723, 43772724, 43772726, 43772732, ... 9 in total.
3833876
 
#22

Molport: MolPort-003-849-214
AK Scientific: I518
AKOS: AKOS015994712
Bosche Scientific: M5159
Cayman Chemical: 10010340...94 total

ref: mol2, SDF, SMILES, flexibase
4.11,10.68,-12.93,1,5,0, 390.52, 7

Similar to: 26492230, 34345257, 34345258, 34345259, 34345260, ... 11 in total.
12402850
 
#23

MicroSource Pharmakon: 01601000
MicroSource World Drugs: 01601000
Collaborative Drug Discovery: 15361
MicroSource Spectrum: 01601000
PubChem: 42579262...10 total

ref: mol2, SDF, SMILES, flexibase
4.11,10.79,-11.72,1,5,0, 390.52, 7

Similar to: 43772721, 43772723, 43772724, 43772726, 43772732, ... 9 in total.
3984042
 
#24

MicroSource Pharmakon: 01601000
MicroSource World Drugs: 01601000
Molcan: mevastatin, mevastatin
BindingDB.org: 50003238
ChEMBL12: CHEMBL300596...26 total

ref: mol2, SDF, SMILES, flexibase
4.11,10.52,-8.63,1,5,0, 390.52, 7

Similar to: 3831450, 3831011, 3831010, 3831009, 3831008, ... 9 in total.
1481993
 
#25

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,
8214986
 
#26

MicroSource Pharmakon: 01506201
ChEMBL12: CHEMBL154669
ChEMBL19: CHEMBL154669
Leadscope via PubChem: LS-68900
MicroSource Spectrum: 01506201...10 total

ref: mol2, SDF, SMILES, flexibase
2.18,-14.89,-14.02,9,11,0, 654.838, 5

Similar to: 8214987, 8214988, 8214989, 15449265, 15449267, ... 11 in total.
8214987
 
#27

MicroSource Pharmakon: 01506201
ChEMBL12: CHEMBL154669
ChEMBL19: CHEMBL154669
Leadscope via PubChem: LS-68900
MicroSource Spectrum: 01506201...10 total

ref: mol2, SDF, SMILES, flexibase
2.18,-11.68,-13.1,9,11,0, 654.838, 5

Similar to: 8214988, 8214989, 15449265, 15449267, 15449268, ... 11 in total.
8214988
 
#28

MicroSource Pharmakon: 01506201
ChEMBL12: CHEMBL154669
ChEMBL19: CHEMBL154669
Leadscope via PubChem: LS-68900
MicroSource Spectrum: 01506201...9 total

ref: mol2, SDF, SMILES, flexibase
2.18,-12.49,-13.67,9,11,0, 654.838, 5

Similar to: 8214989, 15449265, 15449267, 15449268, 15449269, ... 14 in total.
8214989
 
#29

MicroSource Pharmakon: 01506201
ChEMBL12: CHEMBL154669
ChEMBL19: CHEMBL154669
Leadscope via PubChem: LS-68900
MicroSource Spectrum: 01506201...9 total

ref: mol2, SDF, SMILES, flexibase
2.18,-13.03,-12.41,9,11,0, 654.838, 5

Similar to: 15449265, 15449267, 15449268, 15449269, 34951175, ... 14 in total.
500
 
#30

eMolecules: 889152
Molport: MolPort-001-816-862
Scientific Exchange (make on demand): F-441780
Aldrich CPR: S408883|ALDRICH
Alfa-Aesar: L05791...52 total

ref: mol2, SDF, SMILES, flexibase
3.81,5.14,-8.02,1,3,0, 242.274, 3
hi: mol2, SDF, SMILES, flexibase
3.81,5.92,-47.76,0,3,-1, 241.266, 3
1586
 
#31

eMolecules: 730647
Scientific Exchange (make on demand): POD_47/0917
AKOS: AKOS002286964
Aldrich CPR: S520608|ALDRICH
Anward: ANW-40212...50 total

ref: mol2, SDF, SMILES, flexibase
2.31,5.39,-6.68,2,3,0, 193.246, 4
1797
 
#32

AKOS: AKOS003613210
Aldrich CPR: S398934|ALDRICH
Mcule: MCULE-9299418719
MicroSource Pharmakon: 01506194
MicroSource World Drugs: 01506194...22 total

ref: mol2, SDF, SMILES, flexibase
-0.49,2.08,-8.39,0,4,0, 192.218, 1
3861288
 
#33

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
2137
 
#34

eMolecules: 207237794
TCM Database @ Taiwan: tcm03_008241
Alfa-Aesar: A17011
American Custom Chemicals Corp.: NEW0109538
Anward: ANW-41295...70 total

ref: mol2, SDF, SMILES, flexibase
1.61,0.24,-4.02,2,2,0, 172.268, 1

Similar to: 6855191, 6855194, 6855198, 6855201, 39332519, ... 5 in total.
2522770
 
#35

ChemMol: 44007892, 30113280
Angene Building Blocks: AGN-PC-05W3YG
Anward: ANW-34019
APIChem: AC-7027
Ark Pharm Building Blocks: AK-78708...92 total

ref: mol2, SDF, SMILES, flexibase
6.54,15.46,-5.79,0,3,0, 361.485, 10

Similar to: 4975824, 34361779,
66322924
 
#36

MicroSource Pharmakon: 01506179
MicroSource US Drugs: 01506179
Individual Suppliers: UNNAMED00000379
MicroSource Spectrum: 01506179
PubChem: 51371307...6 total

ref: mol2, SDF, SMILES, flexibase
-0.08,-7.53,-18.4,7,10,0, 434.397, 4
hi: mol2, SDF, SMILES, flexibase
-0.08,-6.54,-69.77,6,10,-1, 433.389, 4
hi: mol2, SDF, SMILES, flexibase
-0.08,-6.54,-65.63,6,10,-1, 433.389, 4
158116
 
#37

eMolecules: 725480
Scientific Exchange (make on demand): H-049715
Acros Organics: BTB12988
AK Scientific: X0346
AKOS: AKOS008937702...68 total

ref: mol2, SDF, SMILES, flexibase
0.70,0.35,-6.78,2,2,0, 101.149, 2
58121
 
#38

ChemMol: 30100402, 96700200, 44010813
eMolecules: 529222
Acros Organics: 15638
AK Scientific: H721
AKOS: AKOS000119370...160 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.72,-12.48,1,3,0, 176.171, 0

Similar to: 34480190, 39240381,
1697652
 
#39

TCM Database @ Taiwan: 43198, tcm03_006349
Aldrich CPR: S567868|ALDRICH
BioSynth: V-3000
MedChem Express: HY-17568
MicroSource Pharmakon: 01506172...62 total

ref: mol2, SDF, SMILES, flexibase
4.12,-1.49,-9.46,2,4,0, 293.407, 10

Similar to: 26475073, 43273992, 43284710, 43284755, 43284768, ... 5 in total.
28150
 
#40

ChemMol: 96700156, 30100400, 44014102
eMolecules: 511655
Molport: MolPort-001-779-815
Scientific Exchange (make on demand): POD_01/0139
Acros Organics: 13021...243 total

ref: mol2, SDF, SMILES, flexibase
4.01,7.11,-6.01,1,1,0, 199.278, 0

Similar to: 32234491, 32266120, 34581544, 34581548, 38286625, ... 7 in total.
1890
 
#41

ChemMol: 30100910, 44009080
eMolecules: 539253
Scientific Exchange (make on demand): E-026808
AKOS: AKOS000120374
Alfa-Aesar: A15314...83 total

ref: mol2, SDF, SMILES, flexibase
1.86,2.94,-8.03,1,2,0, 150.177, 2
158585
 
#42

ChemMol: 1033172, 1203162, 96707595
eMolecules: 521062
Acros Organics: 13199
AKOS: AKOS000249319
Alfa-Aesar: A15005...141 total

ref: mol2, SDF, SMILES, flexibase
0.11,0.18,-5.47,1,2,0, 109.128, 1
lo: mol2, SDF, SMILES, flexibase
0.11,0.59,-30.28,2,2,1, 110.136, 1

Similar to: 33804374,
13512224
 
#43

eMolecules: 515623
L99A/M102Q binders: MFCD00002185
Molport: MolPort-000-871-969
TCM Database @ Taiwan: tcm03_003580, 27427
Acros Organics: 12019...275 total

ref: mol2, SDF, SMILES, flexibase
1.30,1.63,-5.69,1,2,0, 124.139, 1
12362955
 
#44

ChemMol: 30116764, 44011695, 83603119, 97602749
eMolecules: 26753492, 1971714, 26917926
Molport: MolPort-002-945-319, MolPort-000-004-313, MolPort-002-319-290
Acros Organics: 42633
AKOS: AKOS001031795...97 total

ref: mol2, SDF, SMILES, flexibase
1.14,2.39,-5.27,1,2,0, 166.22, 0

Similar to: 12409058, 34589404, 39246242, 39246245, 39246247, ... 6 in total.
2040641
 
#45

AK Scientific: X2021
Alfa-Aesar: L20218
Apollo Scientific: PC4526
Chembo Pharma: KB-16190
FineTech: FT-0609045...31 total

ref: mol2, SDF, SMILES, flexibase
1.53,2.75,-4.47,0,1,0, 126.077, 3
388075
 
#46

ChemMol: 30103321
Acros Organics: 15034, 21945
Alfa-Aesar: L03187
Angene Building Blocks: AGN-PC-0JK8A9
Anward: ANW-15793...131 total

ref: mol2, SDF, SMILES, flexibase
0.49,-0.03,-3.97,2,2,0, 118.176, 2

Similar to: 39221914, 39221916, 39221918, 39221920, 39333297, ... 8 in total.
3860897
 
#47

ChemMol: 30103321
Acros Organics: 15034, 21945
Alfa-Aesar: L03187, L14523
American Custom Chemicals Corp.: CCH0007417
Angene Building Blocks: AGN-PC-0JK8A9...146 total

ref: mol2, SDF, SMILES, flexibase
0.49,-0.39,-4.1,2,2,0, 118.176, 2

Similar to: 39221914, 39221916, 39221918, 39221920, 39333297, ... 8 in total.
897288
 
#48

ChemMol: 30111507, 44010615, 44031780, 97800263
eMolecules: 489528
Molport: MolPort-016-633-159
A&J Pharmtech: AJ-02310
Acorn PharmaTech: ACN-004649...133 total

ref: mol2, SDF, SMILES, flexibase
0.70,1.64,-4.93,1,2,0, 82.106, 0

Similar to: 39343114,
1238583
 
#49

AK Scientific: K364
Anward: ANW-37082
BioBlocks BB: ZERO/002873
Chembo Pharma: KB-183499
ChemDiv BuildingBlocks: BB54-0603...48 total

ref: mol2, SDF, SMILES, flexibase
1.15,1.44,-3.1,1,1,0, 98.145, 1

Similar to: 1238584,
1238584
 
#50

AK Scientific: K364
Anward: ANW-37082
BioBlocks BB: ZERO/002873
Chembo Pharma: KB-183499
ChemDiv BuildingBlocks: BB54-0603...46 total

ref: mol2, SDF, SMILES, flexibase
1.15,1.4,-3.15,1,1,0, 98.145, 1

Similar to: 1238583,
1814
 
#51

ChemMol: 30101855
Scientific Exchange (make on demand): H-045635
Acros Organics: 11447
AKOS: AKOS003607578
APIChem: AC-12043...70 total

ref: mol2, SDF, SMILES, flexibase
0.42,4.49,-9.72,0,3,0, 178.235, 3

Similar to: 59432153,
8035017
 
#52

eMolecules: 593132
Cayman Chemical: 90350, 10007824, 9000551
MicroSource Pharmakon: 01506156
MicroSource World Drugs: 01506156
Sigma Aldrich (Building Blocks): P0359|SIGMA...44 total

ref: mol2, SDF, SMILES, flexibase
6.29,-2.08,-8.49,2,3,0, 299.499, 16

Similar to: 11638641, 36294576, 37468739, 43587537, 59464394, ... 9 in total.
3843378
 
#53

ChemMol: 44008584
eMolecules: 491165, 490720
Molport: MolPort-001-770-822, MolPort-004-288-380
Acros Organics: 22218
AKOS: AKOS000121333...115 total

ref: mol2, SDF, SMILES, flexibase
0.56,3.49,-5.83,0,4,0, 144.126, 4

Similar to: 4416885, 8649470, 33842648, 34527853, 44198373, ... 5 in total.
3875768
 
#54

eMolecules: 476308
Molport: MolPort-001-495-598
Acros Organics: 14880
AK Scientific: R315
AKOS: AKOS001051769...74 total

ref: mol2, SDF, SMILES, flexibase
0.56,1.3,-11.42,3,2,0, 116.189, 3
34781660
 
#55

ChemMol: 44000027, 30100025
eMolecules: 741340
Molport: MolPort-001-785-703
Scientific Exchange (make on demand): F-278684
AK Scientific: Q759...79 total

ref: mol2, SDF, SMILES, flexibase
0.28,-1.96,-11.03,3,4,0, 181.191, 3
hi: mol2, SDF, SMILES, flexibase
0.28,-1.03,-43.78,2,4,-1, 180.183, 3

Similar to: 2576822,
1742
 
#56

Aldrich CPR: S409405|ALDRICH
Chembo Pharma: KB-231431, KB-231393, KB-231432
MedChem Express: HY-B1083
MicroSource Pharmakon: 01506123
MicroSource US Drugs: 01506123...29 total

ref: mol2, SDF, SMILES, flexibase
1.59,4.16,-4.63,0,3,0, 177.251, 1
38146589
 
#57

eMolecules: 26481093
Molport: MolPort-002-351-241
AKOS: AKOS001708565
BioBlocks: A1688/0072113
ChemDiv: 8008-2113...38 total

ref: mol2, SDF, SMILES, flexibase
4.41,9.77,-6.93,0,1,0, 286.421, 2

Similar to: 4481936, 2133,
66322931
 
#58

MicroSource Pharmakon: 01506106
MicroSource World Drugs: 01506106
Individual Suppliers: UNNAMED00000712, UNNAMED00000708
MicroSource Spectrum: 01506106
PubChem: 51371316...7 total

ref: mol2, SDF, SMILES, flexibase
3.40,8.2,-10.96,0,3,0, 298.411, 4
13523533
 
#59

BioSynth: W-107333
MicroSource Pharmakon: 01506101
MicroSource US Drugs: 01506101
Vesino Industrial Co Ltd: VA11870
BindingDB.org: 86214...25 total

ref: mol2, SDF, SMILES, flexibase
-2.03,-0.53,-24.07,5,10,0, 362.39, 6
ref: mol2, SDF, SMILES, flexibase
-2.03,-1.16,-26.11,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,-0.65,-50.67,6,10,1, 363.398, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,-0.65,-50.47,6,10,1, 363.398, 6

Similar to: 31543100, 31976703, 31976817, 32228613, 32228615, ... 16 in total.
13523529
 
#60

BioSynth: W-107333
MicroSource Pharmakon: 01506101
MicroSource US Drugs: 01506101
Vesino Industrial Co Ltd: VA11870
BindingDB.org: 86214...21 total

ref: mol2, SDF, SMILES, flexibase
-2.03,0.05,-22.94,5,10,0, 362.39, 6
ref: mol2, SDF, SMILES, flexibase
-2.03,-0.84,-25.97,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,-0.39,-50.76,6,10,1, 363.398, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,-0.32,-50.65,6,10,1, 363.398, 6

Similar to: 27857602, 31543100, 32225821, 32225822, 32228613, ... 20 in total.
4096261
 
#61

Molport: MolPort-006-124-300
American Custom Chemicals Corp.: PEP0003479
Bachem: H-4915
BioSynth: W-107333
Bosche Scientific: P6419...60 total

ref: mol2, SDF, SMILES, flexibase
-2.03,0.18,-23.59,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,0.01,-48.98,6,10,1, 363.398, 6
mid: mol2, SDF, SMILES, flexibase
-1.91,-8.71,-54.13,6,10,1, 363.398, 6
mid: mol2, SDF, SMILES, flexibase
-1.91,-10.03,-22.33,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-1.91,-9.27,-22.9,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-1.91,-8.91,-58.35,6,10,1, 363.398, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,-0.51,-25.71,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,0.02,-48.79,6,10,1, 363.398, 6

Similar to: 4654627, 5762965, 5762966, 5762968, 5762970, ... 18 in total.
13523524
 
#62

BioSynth: W-107333
MicroSource Pharmakon: 01506101
MicroSource US Drugs: 01506101
Vesino Industrial Co Ltd: VA11870
BindingDB.org: 50156180...26 total

ref: mol2, SDF, SMILES, flexibase
-2.03,0.28,-25.61,5,10,0, 362.39, 6
ref: mol2, SDF, SMILES, flexibase
-2.03,-0.61,-29.77,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,-0.16,-55.16,6,10,1, 363.398, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,-0.09,-54.89,6,10,1, 363.398, 6

Similar to: 27857602, 31543100, 32228613, 32228615, 32228617, ... 21 in total.
61389327
 
#63

MicroSource Pharmakon: 01506084
MicroSource US Drugs: 01506084
MicroSource Spectrum: 01506084
PubChem: 52897235, 45114178
ref: mol2, SDF, SMILES, flexibase
1.48,2.45,-20.93,5,9,0, 532.63, 3
61389333
 
#64

MicroSource Pharmakon: 01506084
MicroSource US Drugs: 01506084
MicroSource Spectrum: 01506084
PubChem: 52897236, 45114178
ref: mol2, SDF, SMILES, flexibase
1.48,2.55,-20.29,5,9,0, 532.63, 3
61389337
 
#65

MicroSource Pharmakon: 01506084
MicroSource US Drugs: 01506084
MicroSource Spectrum: 01506084
PubChem: 52897237, 45114178
ref: mol2, SDF, SMILES, flexibase
1.48,1.93,-20.25,5,9,0, 532.63, 3
61389338
 
#66

MicroSource Pharmakon: 01506084
MicroSource US Drugs: 01506084
MicroSource Spectrum: 01506084
PubChem: 52897238, 45114178
ref: mol2, SDF, SMILES, flexibase
1.48,2.82,-20.65,5,9,0, 532.63, 3
1718
 
#67

Ark Pharm Building Blocks: AK129831
Chembo Pharma: KB-249210
MedChem Express: HY-B0908
MicroSource Pharmakon: 01506077
MicroSource World Drugs: 01506077...30 total

ref: mol2, SDF, SMILES, flexibase
0.80,-1.25,-23.43,2,5,0, 275.351, 1
3830838
 
#68

Molport: MolPort-002-534-105, MolPort-008-322-982
AK Scientific: H045
AKOS: AKOS005612990
Anward: ANW-43448
IBScreen NP: STOCK1N-66429...38 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.59,-10.99,2,4,0, 372.553, 2

Similar to: 3881972, 3881973, 5852719, 5852751, 5852773, ... 12 in total.
3830840
 
#69

Molport: MolPort-002-534-105, MolPort-008-322-982
AK Scientific: H045
AKOS: AKOS005612990
Anward: ANW-43448
IBScreen NP: STOCK1N-66429...36 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.49,-11.1,2,4,0, 372.553, 2

Similar to: 3881972, 3881973, 5852719, 5852751, 5852773, ... 12 in total.
3881972
 
#70

Molport: MolPort-002-507-427, MolPort-002-534-105
IBScreen BuildingBlocks: BB_NC-01453
IBScreen NP: STOCK1N-66429
MicroSource Pharmakon: 01506069
MicroSource US Drugs: 01506069...31 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.44,-12.33,2,4,0, 372.553, 2

Similar to: 3881973, 5852719, 5852734, 5852751, 5852773, ... 13 in total.
3782599
 
#71

ChemMol: 30107684, 44000093, 97602833, 30102358
Molport: MolPort-002-534-105
AKOS: AKOS015894916
Amadis Chemical: A845840
APIChem: AC-1292...118 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.36,-13.16,2,4,0, 372.553, 2

Similar to: 3881972, 3881973, 5852719, 5852751, 5852773, ... 17 in total.
22200090
 
#72

Chembo Pharma: KB-76141, KB-79506
MicroSource Pharmakon: 01506065
MicroSource World Drugs: 01506065
Molport BB: MolPort-003-958-719
Prestwick Chemical: Prestw-344...47 total

ref: mol2, SDF, SMILES, flexibase
3.74,6.76,-5.74,0,2,0, 272.175, 6

Similar to: 31977070, 31977071, 1532322, 6437406, 6437408, ... 5 in total.
61389413
 
#73

MicroSource Pharmakon: 01506053
MicroSource US Drugs: 01506053
Individual Suppliers: UNNAMED00000355, UNNAMED00000719
MicroSource Spectrum: 01506053
PubChem: 58281138...9 total

ref: mol2, SDF, SMILES, flexibase
-1.69,1.64,-17.3,1,10,0, 442.546, 27
4284473
 
#74

ChemMol: 1202513, 98001216
eMolecules: 517956
Molport: MolPort-003-921-370
AK Scientific: X2830
AKOS: AKOS015995365...54 total

ref: mol2, SDF, SMILES, flexibase
1.91,6.38,-7.6,0,2,0, 150.177, 2

Similar to: 34334111, 34577226,
538174
 
#75

Chembo Pharma: KB-193137
Element Store BB: b2star-32828-81-2
MicroSource Pharmakon: 01506030
MicroSource World Drugs: 01506030
Prestwick Chemical: 119...53 total

ref: mol2, SDF, SMILES, flexibase
1.18,5.75,-16.89,2,7,0, 376.416, 7

Similar to: 31561622, 34231094, 38441658, 39351295, 39351296, ... 6 in total.
19632700
 
#76

ChemMol: 97901136, 44002758, 2000419, 30102624
eMolecules: 592502, 902166
Molport: MolPort-003-958-925, MolPort-003-849-303
Active BioPharma: 2391
AK Scientific: O220...104 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.65,-9.6,1,5,0, 392.499, 7

Similar to: 23386909, 23386911, 23386913, 23386915, ... 9 in total.
19632696
 
#77

ChemMol: 2000419, 30102624, 97901136, 44002758
eMolecules: 592502, 902166
Molport: MolPort-003-958-925, MolPort-003-849-303
Active BioPharma: 2391
AK Scientific: O220...103 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.66,-9.68,1,5,0, 392.499, 7

Similar to: 23386909, 23386911, 23386913, 23386915, ... 9 in total.
1728
 
#78

ChemMol: 44027302
AK Scientific: W6860
AKOS: AKOS015919707
Anward: ANW-47874
BePharm Building Blocks: B140081...88 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.36,-9.29,0,3,0, 226.279, 3
lo: mol2, SDF, SMILES, flexibase
1.76,5.83,-40.25,1,3,1, 227.287, 3
1586769
 
#79

eMolecules: 519686
Molport: MolPort-002-461-924
Acros Organics: 40357
AK Scientific: K716, M132
AKOS: AKOS000121421...140 total

ref: mol2, SDF, SMILES, flexibase
3.07,4.82,-6.22,1,3,0, 194.23, 5
266
 
#80

ChemMol: 83601362
eMolecules: 533220
Molport: MolPort-001-791-638
Scientific Exchange (make on demand): F-137872
AKOS: AKOS003382844...49 total

ref: mol2, SDF, SMILES, flexibase
1.00,3.4,-10.48,1,4,0, 223.272, 4
1532339
 
#81

Labotest: LT03328518
MedChem Express: HY-B0570
MicroSource Pharmakon: 01505991
MicroSource US Drugs: 01505991
NCI Plated 2007: 23004...59 total

ref: mol2, SDF, SMILES, flexibase
-4.01,14.78,-66.86,0,2,2, 258.494, 11

Similar to: 1673414, 1730254, 1730255, 1730256, 2006807, ... 15 in total.
1601437
 
#82

ChemMol: 30104205
Scientific Exchange: POD_09/0054, POD_05/0837
AK Scientific: O701, P665
APIChem: AC-14888
Ark Pharm Building Blocks: AK112348...94 total

ref: mol2, SDF, SMILES, flexibase
-0.62,12.18,-36.26,1,3,1, 325.476, 7

Similar to: 5688394, 7437732, 7785598, 8092610, 15441339, ... 8 in total.
1713761
 
#83

eMolecules: 492142
Molport: MolPort-001-783-584
Scientific Exchange (make on demand): F-182718
AKOS: AKOS003390166
Alinda: IBS-L0036103...54 total

ref: mol2, SDF, SMILES, flexibase
0.38,3.48,-12.83,3,6,0, 298.346, 7
61389402
 
#84

MicroSource Pharmakon: 01505979
MicroSource US Drugs: 01505979
MicroSource Spectrum: 01505979
PubChem: 45114155, 52897249
SMDC Pharmakon: 756821...6 total

ref: mol2, SDF, SMILES, flexibase
4.85,13.56,-14.74,0,4,0, 384.516, 4
61389404
 
#85

MicroSource Pharmakon: 01505979
MicroSource US Drugs: 01505979
MicroSource Spectrum: 01505979
PubChem: 45114155, 52897250
SMDC Pharmakon: 756821...6 total

ref: mol2, SDF, SMILES, flexibase
4.85,13.63,-12.67,0,4,0, 384.516, 4
61389407
 
#86

MicroSource Pharmakon: 01505979
MicroSource US Drugs: 01505979
MicroSource Spectrum: 01505979
PubChem: 45114155, 52897251
SMDC Pharmakon: 756821...6 total

ref: mol2, SDF, SMILES, flexibase
4.85,14.03,-12.82,0,4,0, 384.516, 4
61389409
 
#87

MicroSource Pharmakon: 01505979
MicroSource US Drugs: 01505979
MicroSource Spectrum: 01505979
PubChem: 45114155, 52897252
SMDC Pharmakon: 756821...6 total

ref: mol2, SDF, SMILES, flexibase
4.85,13.86,-12.01,0,4,0, 384.516, 4
7997901
 
#88

eMolecules: 36517063
BioSynth: Q-201116
MicroSource Pharmakon: 01505978
MicroSource US Drugs: 01505978
Toronto Research Chemicals: F405753...16 total

ref: mol2, SDF, SMILES, flexibase
0.57,-5.35,-19.96,2,5,0, 358.218, 6

Similar to: 11680213, 11680217, 22067211, 44029004, ... 5 in total.
11680217
 
#89

eMolecules: 36517063
BioSynth: Q-201116
MicroSource Pharmakon: 01505978
MicroSource US Drugs: 01505978
Vitas-M: STL135985...15 total

ref: mol2, SDF, SMILES, flexibase
0.57,-6.08,-18.61,2,5,0, 358.218, 6

Similar to: 22067211, 44029004, 537733, 11680213, 7997901, ... 5 in total.
4654665
 
#90

BioSynth: W-203112
MicroSource Pharmakon: 01505953
MicroSource World Drugs: 01505953
Sigma Aldrich (Building Blocks): 69293|SIGMA
Collaborative Drug Discovery: 1352524...26 total

ref: mol2, SDF, SMILES, flexibase
-0.47,-12.8,-11.67,5,8,0, 397.635, 5

Similar to: 17063863, 17063864, 17063866, 17063868, ... 4 in total.
6300
 
#91

ChemMol: 97900673, 96708096, 30104556, 44004091
ACT Chemical BB: ACT04427
Active BioPharma: 1451
AKOS: AKOS000280863
APIChem: AC-2082...90 total

ref: mol2, SDF, SMILES, flexibase
1.74,8.65,-16.75,0,6,0, 305.341, 3

Similar to: 35824677, 35826681,
3874606
 
#92

MicroSource Pharmakon: 01505920
MicroSource World Drugs: 01505920
ChemDB: 3968003
Collaborative Drug Discovery: 128611
IBM Patent Data: 136276630...23 total

ref: mol2, SDF, SMILES, flexibase
-1.93,-6.26,-51.98,8,12,0, 554.732, 19

Similar to: 38797959, 38797960, 38797961,
3874604
 
#93

Glutathione Transferrase GST-EFI: pantethine
MedChem Express: HY-B1028
MicroSource Pharmakon: 01505920
MicroSource World Drugs: 01505920
Sigma Aldrich (Building Blocks): P3280|SIGMA...38 total

ref: mol2, SDF, SMILES, flexibase
-1.93,-15.57,-38.08,8,12,0, 554.732, 19

Similar to: 38797959, 38797960, 38797961,
3874605
 
#94

MicroSource Pharmakon: 01505920
MicroSource World Drugs: 01505920
ChemDB: 3968003
Collaborative Drug Discovery: 128611
IBM Patent Data: 136276630...25 total

ref: mol2, SDF, SMILES, flexibase
-1.93,-15.59,-38.43,8,12,0, 554.732, 19

Similar to: 38797959, 38797960, 38797961,
57347
 
#95

Aldrich CPR: S351288|ALDRICH
Ark Pharm Building Blocks: AK128928
BioSynth: W-105265
Bosche Scientific: P5776
Chembo Pharma: KB-249338...56 total

ref: mol2, SDF, SMILES, flexibase
-0.21,3.25,-10.16,1,7,0, 238.247, 2

Similar to: 39125210,
57348
 
#96

Aldrich CPR: S351288|ALDRICH
Ark Pharm Building Blocks: AK128928
BioSynth: W-105265
Bosche Scientific: P5776
Chembo Pharma: KB-249338...57 total

ref: mol2, SDF, SMILES, flexibase
-0.21,4.29,-14,1,7,0, 238.247, 2

Similar to: 39125210,
850
 
#97

ChemMol: 44024375, 2100089, 30102847
eMolecules: 876280
AKOS: AKOS000280127
Anward: ANW-61226
APIChem: AC-13198...96 total

ref: mol2, SDF, SMILES, flexibase
2.47,2.54,-10.68,3,4,0, 236.296, 2
hi: mol2, SDF, SMILES, flexibase
2.47,3.13,-43.84,2,4,-1, 235.288, 2

Similar to: 896731,
896731
 
#98

ChemMol: 2100089, 30102847, 44024375
eMolecules: 876280
AKOS: AKOS000280127
Anward: ANW-61226
APIChem: AC-13198...88 total

ref: mol2, SDF, SMILES, flexibase
2.46,-3.7,-10.6,3,4,0, 236.296, 2
hi: mol2, SDF, SMILES, flexibase
2.22,-3.5,-44.43,2,4,-1, 235.288, 3

Similar to: 34402898, 34402899, 34476380, 34476381, 34476382, ... 7 in total.
1239
 
#99

Amidohydrolase AH-EFI: Cyromazin
ChemMol: 44009498, 30101008
APIChem: AC-6858
BioSynth: Q-200915
Boerchem Pharmatech BB: BC674979...64 total

ref: mol2, SDF, SMILES, flexibase
-0.13,5.01,-6.77,5,6,0, 166.188, 2
lo: mol2, SDF, SMILES, flexibase
-0.13,5.4,-26.63,6,6,1, 167.196, 2
19632610
 
#100

ChemMol: 44002251, 30116679, 97900051, 30101853
eMolecules: 538533, 11021182
Active BioPharma: 102
AK Scientific: K235
AKOS: AKOS015891545...92 total

ref: mol2, SDF, SMILES, flexibase
4.05,9.51,-34.29,0,5,-1, 383.251, 5

Similar to: 22057516, 22057521, 31490672, 31490674, 31771858, ... 22 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 = 614 ) limit 0,100

Smiles were