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5916765
 
#1

Anward: ANW-32171
Ark Pharm Building Blocks: AK135449
Chembo Pharma: KB-258228
Element Store BB: b2star-5470-34-8
Florida Heterocyclic Compounds: 28329...22 total

ref: mol2, SDF, SMILES, flexibase
1.24,1.95,-10.12,1,3,0, 151.165, 2

Similar to: 39274709, 39277246,
5133507
 
#2

Aldrich CPR: PH008267|ALDRICH
TCI: H1143
Tractus: TRA0061236
ChemDB: 7562647
Debye Scientific BB (Depleted): DA-16877...7 total

ref: mol2, SDF, SMILES, flexibase
1.34,0.81,-8.55,0,2,0, 126.155, 0
409833
 
#3

ChemMol: 44019291
Anward: ANW-25913
Ark Pharm Building Blocks: AK150525
Chembo Pharma: KB-55902
Fluorochem: 049213...25 total

ref: mol2, SDF, SMILES, flexibase
1.86,3.18,-8.94,1,2,0, 155.584, 1

Similar to: 34599457,
157166
 
#4

ChemMol: 30101343
eMolecules: 534250
Molport: MolPort-001-768-508
Acros Organics: 10348
AKOS: AKOS003632277...88 total

ref: mol2, SDF, SMILES, flexibase
2.01,0.62,-4.35,3,2,0, 178.018, 0
hi: mol2, SDF, SMILES, flexibase
2.01,1.37,-38.88,2,2,-1, 177.01, 0

Similar to: 39125670,
71617851
 
#5

American Custom Chemicals Corp.: HCH0013010
Anward: ANW-30484
Chembo Pharma: KB-190163
Mcule: MCULE-6451992786
TCI: B2416...18 total

ref: mol2, SDF, SMILES, flexibase
5.30,9.62,-2.81,0,0,0, 259.146, 2
3075487
 
#6

Molport: MolPort-004-917-533
AKOS: AKOS000278966
Alfa-Aesar: H30189
American Custom Chemicals Corp.: HCH0013010
Anward: ANW-30484...32 total

ref: mol2, SDF, SMILES, flexibase
5.30,9.96,-3.41,0,0,0, 259.146, 2
66377805
 
#7

American Custom Chemicals Corp.: CHM0009229
Anward: ANW-36516
Molport BB: MolPort-001-785-761
TCI: M1491
Tractus: TRA0082975...19 total

ref: mol2, SDF, SMILES, flexibase
4.72,9.89,-3.7,0,0,0, 194.277, 2
1659997
 
#8

ChemMol: 30108208
AKOS: AKOS002792502
American Custom Chemicals Corp.: CHM0012057
Anward: ANW-30483
APIChem: AC-20795...26 total

ref: mol2, SDF, SMILES, flexibase
4.94,10.01,-3.65,0,0,0, 194.277, 2
32098739
 
#9

American Custom Chemicals Corp.: CHM0007054
Anward: ANW-24072
Chembo Pharma: KB-219770
Fluorochem: 040790
Mcule: MCULE-3751844020...22 total

ref: mol2, SDF, SMILES, flexibase
5.47,11.19,-4.29,0,0,0, 230.31, 2

Similar to: 1592599,
1592599
 
#10

ChemMol: 44021053
eMolecules: 26983368
Molport: MolPort-019-764-602
AK Scientific: 0479AB
AKOS: AKOS005157925...38 total

ref: mol2, SDF, SMILES, flexibase
5.47,2.28,-5.21,1,0,0, 230.31, 0

Similar to: 32098739,
2379657
 
#11

AK Scientific: 4194AB
Ark Pharm Building Blocks: AK110881
BePharm Building Blocks: B0634
Bide Pharmatech BB: BD0634
Element Store BB: b2star-34637-22-4...29 total

ref: mol2, SDF, SMILES, flexibase
1.18,1.29,-7.86,2,4,0, 209.245, 6

Similar to: 34319942, 34453429, 34453431, 34521145, 34557977, ... 10 in total.
1388874
 
#12

ChemMol: 1201069, 98002034, 30111544, 1036954, 44009039
AK Scientific: V1252
Alfa-Aesar: B25497
Angene Building Blocks: AGN-PC-0K5R7Z
Anward: ANW-40932...53 total

ref: mol2, SDF, SMILES, flexibase
2.69,2.79,-4.26,2,2,0, 192.045, 1

Similar to: 6091110, 39342288,
156649
 
#13

ChemMol: 30108511, 1034281, 44012152, 1201840, 98000871
AK Scientific: N597
Alfa-Aesar: B22926
Anward: ANW-38101
Apexmol Building Blocks: AM62119...48 total

ref: mol2, SDF, SMILES, flexibase
3.65,3.34,-7.25,0,1,0, 218.202, 2

Similar to: 34976479, 34976481, 34976483, 34976628, ... 4 in total.
2560501
 
#14

ChemMol: 44033938
Acros Organics: 32095
AK Scientific: Q726
Alfa-Aesar: B21215
Angene Building Blocks: AGN-PC-0JLQ2W...39 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-0.01,-8.15,1,4,0, 168.129, 5
1735156
 
#15

AK Scientific: Z2657
AKOS: AKOS004123150
Aldrich CPR: CDS012430|ALDRICH
Amadis Chemical: A848893
Anward: ANW-25998...30 total

ref: mol2, SDF, SMILES, flexibase
2.70,1.91,-6.36,0,1,0, 160.216, 0

Similar to: 3080718, 32212256, 32212314, 32234914, 32266798, ... 16 in total.
44082503
 
#16

Anward: ANW-30561
Ark Pharm Building Blocks: AK116562
BePharm Building Blocks: B125167
Bide Pharmatech BB: BD125167
Chembo Pharma: KB-49953...15 total

ref: mol2, SDF, SMILES, flexibase
1.67,2.97,-13.8,0,3,0, 166.242, 4
5820717
 
#17

Anward: ANW-24116
Labotest: LTBB001414
Labotest Building Blocks: LTBB001414
Molport BB: MolPort-001-783-764
TCI: D2975...14 total

ref: mol2, SDF, SMILES, flexibase
4.08,-2.35,-13.89,0,3,0, 222.35, 10

Similar to: 34355576,
33976508
 
#18

Anward: ANW-20745
Labotest: LT03548808
TCI: D3164
TimTec: ST51045930
Tractus: TRA0024710...8 total

ref: mol2, SDF, SMILES, flexibase
4.59,11.5,-10.27,0,4,0, 272.385, 14

Similar to: 36671062, 38258885, 33792040, 33792041, 33792042, ... 6 in total.
2559777
 
#19

eMolecules: 2744216
Molport: MolPort-002-320-454
AKOS: AKOS003616173
Anward: ANW-26456
Chembo Pharma: KB-253901...27 total

ref: mol2, SDF, SMILES, flexibase
2.98,4.05,-18.99,0,5,0, 289.331, 6
1766857
 
#20

ChemMol: 30104748
eMolecules: 719412
Molport: MolPort-001-800-500
AK Scientific: P092
AKOS: AKOS000675880...65 total

ref: mol2, SDF, SMILES, flexibase
3.19,3.9,-8.64,1,3,0, 224.263, 2
ref: mol2, SDF, SMILES, flexibase
2.74,6.51,-11.9,1,3,0, 224.263, 2
mid: mol2, SDF, SMILES, flexibase
3.19,4.66,-55.96,0,3,-1, 223.255, 2

Similar to: 6092964, 6117549, 32189430, 34434176, 39023303, ... 7 in total.
163155
 
#21

ChemMol: 30102725, 44002830
Acros Organics: 30597
Alfa-Aesar: A15400
Angene Building Blocks: AGN-PC-0JS9HL
Anward: ANW-26673...50 total

ref: mol2, SDF, SMILES, flexibase
3.00,4.5,-5,0,2,0, 204.147, 3

Similar to: 1258469, 6379956, 32211775, 38426735, ... 4 in total.
395010
 
#22

ChemMol: 44007140, 97800700, 30109849
Molport: MolPort-001-837-194
Acorn PharmaTech: ACN-S004143
AKOS: AKOS008902450
Aldrich CPR: PH011099|ALDRICH...47 total

ref: mol2, SDF, SMILES, flexibase
2.56,1.22,-7.79,1,3,0, 166.176, 2

Similar to: 25500194, 34477920, 38416202, 39291640, ... 4 in total.
2163480
 
#23

eMolecules: 530820
Scientific Exchange Building Blocks: Z-097233
Acros Organics: 35533
AK Scientific: 4859AE
Alfa-Aesar: A12869...35 total

ref: mol2, SDF, SMILES, flexibase
2.16,6.11,-7.22,0,1,0, 149.218, 2

Similar to: 26509739, 39269893, 39269894,
34424006
 
#24

Anward: ANW-17014
TCI: A1675
Tractus: TRA0012296
PubChem: 14993724
SureChEMBL: SCHEMBL139623...5 total

ref: mol2, SDF, SMILES, flexibase
1.24,3.82,-6.22,0,3,0, 146.186, 5

Similar to: 38233867, 38233868, 1701826, 2034328, 388357, ... 11 in total.
34424008
 
#25

Anward: ANW-17014
TCI: A1675
Tractus: TRA0012296
PubChem: 14993724
SureChEMBL: SCHEMBL139623...5 total

ref: mol2, SDF, SMILES, flexibase
1.24,3.75,-6.21,0,3,0, 146.186, 5

Similar to: 38233867, 38233868, 1701826, 2034328, 388357, ... 11 in total.
44069059
 
#26

Anward: ANW-19213
TCI: F0464
Tractus: TRA0019705
Alfa Chemistry (Depleted): ACM130612849
BOC Sciences BB (Depleted): 130612-84-9...6 total

ref: mol2, SDF, SMILES, flexibase
2.43,6.35,-5.47,0,1,0, 167.208, 2
44069063
 
#27

Anward: ANW-19213
TCI: F0464
Tractus: TRA0019705
Alfa Chemistry (Depleted): ACM130612849
BOC Sciences BB (Depleted): 130612-84-9...6 total

ref: mol2, SDF, SMILES, flexibase
2.43,6.35,-5.49,0,1,0, 167.208, 2
44069070
 
#28

TCI: A2193
BOC Sciences BB (Depleted): 180798-01-0
PubChem: 10954788
SureChEMBL: SCHEMBL1947879
ref: mol2, SDF, SMILES, flexibase
1.59,5.37,-9.16,1,5,0, 209.201, 5
39616923
 
#29

Anward: ANW-35467
Ark Pharm Building Blocks: AK-41760
Chembo Pharma: KB-228699
TCI: B3403
Tractus: TRA0079111...6 total

ref: mol2, SDF, SMILES, flexibase
3.92,6.74,-4.83,0,1,0, 237.096, 1
330773
 
#30

ChemMol: 44005434, 42307161, 30106588, 44028128, 1032640, 97804736, 1203153
Acorn PharmaTech: ACN-S003317
AKOS: AKOS000267009
Alfa-Aesar: L19527
Angene Building Blocks: AGN-PC-0JWHU0...74 total

ref: mol2, SDF, SMILES, flexibase
2.61,-1.21,-5.09,0,1,0, 236.894, 0
lo: mol2, SDF, SMILES, flexibase
2.61,-1.1,-32.85,1,1,1, 237.902, 0
38524397
 
#31

Anward: ANW-21920
TCI: M1473
Tractus: TRA0029535
BOC Sciences BB (Depleted): 161196-23-2
PubChem: 10330995...7 total

ref: mol2, SDF, SMILES, flexibase
2.13,5.64,-12.94,0,3,0, 218.299, 4

Similar to: 38524398,
38524398
 
#32

Anward: ANW-21920
TCI: M1473
Tractus: TRA0029535
BOC Sciences BB (Depleted): 161196-23-2
PubChem: 10330995...7 total

ref: mol2, SDF, SMILES, flexibase
2.13,5.55,-12.96,0,3,0, 218.299, 4

Similar to: 38524397,
1709591
 
#33

Aldrich CPR: S504319|ALDRICH
Anward: ANW-21508
Molport BB: MolPort-001-821-861
NCI Plated 2007: 119944
TCI: S0478...14 total

ref: mol2, SDF, SMILES, flexibase
8.45,-1.55,-10.93,2,4,0, 474.707, 8

Similar to: 34383468, 34383469, 39274185,
1704671
 
#34

Anward: ANW-17396
Apollo Scientific: PC2192
Bosche Scientific: D8195
Chembo Pharma: KB-10314
Combi-Blocks: QA-5256...31 total

ref: mol2, SDF, SMILES, flexibase
1.27,0.62,-3.58,4,2,0, 180.104, 0

Similar to: 2579296,
1699380
 
#35

Acros Organics: 15005
Alfa-Aesar: H26230
Anward: ANW-28634
BioSynth: W-108392
BOC Sciences BB: 1271-51-8...32 total

ref: mol2, SDF, SMILES, flexibase
2.74,5.38,-0.29,0,0,0, 96.173, 1
564569
 
#36

eMolecules: 3552430
AKOS: AKOS000808366
Anward: ANW-15043
BioBlocks: A4362/0186158
Chemical Block: A4362/0186158...26 total

ref: mol2, SDF, SMILES, flexibase
4.15,0.52,-10.6,0,2,0, 273.133, 1
mid: mol2, SDF, SMILES, flexibase
4.15,0.73,-24.21,1,2,1, 274.141, 1
119995
 
#37

ChemMol: 30100703
eMolecules: 489730
Molport: MolPort-001-770-857
Scientific Exchange (make on demand): H-007749
AKOS: AKOS003272966...40 total

ref: mol2, SDF, SMILES, flexibase
2.22,-3.64,-10.25,2,3,0, 233.292, 2
1679939
 
#38

ChemMol: 30105642, 44004735, 30117095
eMolecules: 1837398
Molport: MolPort-002-499-566
A&J Pharmtech: AJ-00525
AKOS: AKOS000279216...63 total

ref: mol2, SDF, SMILES, flexibase
1.48,2.5,-7.34,1,3,0, 181.578, 0

Similar to: 2598938, 42077278, 42077381, 42077464, ... 4 in total.
4097493
 
#39

TCM Database @ Taiwan: tcm03_007221, 45150, tcm03_007222
TCI: Q0071
ChEBI: CHEBI:27371
ChEMBL19: CHEMBL1950778
IBM Patent Data: 135787458...12 total

ref: mol2, SDF, SMILES, flexibase
-2.13,-11.4,-9.04,5,5,0, 164.157, 0

Similar to: 5083169, 5157064, 5157252, 5157276, 13600416, ... 16 in total.
2038881
 
#40

Anward: ANW-24357
Molport BB: MolPort-006-113-985
NCI Plated 2007: 30160
TCI: M1495
Tetrahedron Building Blocks: TS47556...12 total

ref: mol2, SDF, SMILES, flexibase
2.55,2.82,-6.71,0,2,0, 178.231, 4

Similar to: 34437503, 39268469, 39268470, 39291513, 39291515, ... 5 in total.
1656273
 
#41

Anward: ANW-24357
Molport BB: MolPort-006-113-985
TCI: M1495
Tetrahedron Building Blocks: TS47556
Tractus: TRA0039969...11 total

ref: mol2, SDF, SMILES, flexibase
2.55,2.82,-6.62,0,2,0, 178.231, 4

Similar to: 34437503, 39268469, 39268470, 39291513, 39291515, ... 5 in total.
1765484
 
#42

Aldrich CPR: CDS001503|ALDRICH
Alfa-Aesar: B21741
American Custom Chemicals Corp.: CHM0010877
Anward: ANW-32765
Chembo Pharma: KB-33047...26 total

ref: mol2, SDF, SMILES, flexibase
2.74,-0.47,-2,1,1,0, 128.215, 4

Similar to: 17059271, 17059274, 33842228, 33842229, 33842262, ... 14 in total.
1765488
 
#43

Aldrich CPR: CDS001503|ALDRICH
Alfa-Aesar: B21741
American Custom Chemicals Corp.: CHM0010877
Anward: ANW-32765
Chembo Pharma: KB-33047...27 total

ref: mol2, SDF, SMILES, flexibase
2.74,-0.23,-1.63,1,1,0, 128.215, 4

Similar to: 17059271, 17059274, 33842228, 33842229, 33842262, ... 14 in total.
39953615
 
#44

ChemMol: 1030795
BioSynth: W-202019
Capot Chemical: 9897
J&K Chemical: A01269599
Sigma Aldrich (Building Blocks): 772143|ALDRICH...9 total

ref: mol2, SDF, SMILES, flexibase
2.43,11.78,-17.7,0,9,0, 440.47, 11

Similar to: 641990, 5084900, 5084901, 5084902, 8647943, ... 20 in total.
44069082
 
#45

American Custom Chemicals Corp.: CRB0000261
BioSynth: W-201449
J&K Chemical: A01275701
TCI: M1634
PubChem: 10906733...5 total

ref: mol2, SDF, SMILES, flexibase
4.15,7.56,-13.95,2,7,0, 466.53, 10
4293698
 
#46

Molport: MolPort-023-221-633
AK Scientific: P906
Bosche Scientific: A5089
Indofine: 56-1151
J&K Chemical: A01335687...24 total

ref: mol2, SDF, SMILES, flexibase
-3.52,-11.63,-19.15,6,10,0, 323.298, 6

Similar to: 4533821, 4533822, 14412880, 14412884, 14412886, ... 28 in total.
38281568
 
#47

Anward: ANW-42527
BioSynth: W-203914
Sigma Aldrich (Building Blocks): 775673|ALDRICH
TCI: A1822
PubChem: 68270650...8 total

ref: mol2, SDF, SMILES, flexibase
-0.93,6.91,-24.24,2,14,0, 491.446, 14

Similar to: 44069086, 44608207, 38281438, 13306903, 34553795, ... 5 in total.
44069090
 
#48

BioSynth: W-200771
J&K Chemical: A01217067
TCI: M1628
BOC Sciences BB (Depleted): 107802-80-2
PubChem: 18653437...8 total

ref: mol2, SDF, SMILES, flexibase
5.72,14.58,-8.22,0,4,0, 464.627, 10

Similar to: 38243497,
44069095
 
#49

BioSynth: W-203924
Chembo Pharma: KB-306200
J&K Chemical: A01397172
TCI: M1626
Tetrahedron Building Blocks: TS61573...6 total

ref: mol2, SDF, SMILES, flexibase
1.20,7.43,-12.23,0,7,0, 320.363, 7

Similar to: 35024860, 35024863, 35024864, 35024867, ... 4 in total.
44069099
 
#50

American Custom Chemicals Corp.: CRB0000263
BioSynth: W-202194
J&K Chemical: A01477201
TCI: M1646
ChEMBL19: CHEMBL1173000...7 total

ref: mol2, SDF, SMILES, flexibase
-0.27,-5.52,-10.71,4,7,0, 286.28, 4
44069103
 
#51

American Custom Chemicals Corp.: CRB0000256
BioSynth: W-201545
Combi-Blocks: QB-5243
J&K Chemical: A01513216
Ryan Scientific BB: 077-54894...8 total

ref: mol2, SDF, SMILES, flexibase
2.11,10.1,-18.7,0,11,0, 454.428, 12
36424311
 
#52

BioSynth: W-203402
TCI: M1501
Tetrahedron Building Blocks: TS80290
PubChem: 11773340
SureChEMBL: SCHEMBL9212610...5 total

ref: mol2, SDF, SMILES, flexibase
0.90,8.57,-14.67,0,9,0, 378.399, 10

Similar to: 38261473, 35024860, 35024863, 35024864, 35024867, ... 5 in total.
5733445
 
#53

ChemMol: 1030790
AK Scientific: W0218
American Custom Chemicals Corp.: CRB0001193
Anward: ANW-43790
Ark Pharm Building Blocks: AK117467...25 total

ref: mol2, SDF, SMILES, flexibase
-0.27,-9.54,-8.23,4,7,0, 286.28, 4

Similar to: 8681408, 16030602, 16030604, 35882635, 43573869, ... 8 in total.
26770431
 
#54

eMolecules: 26553379
AK Scientific: W0214
Ark Pharm Building Blocks: AK136203
BioSynth: W-201284
BOC Sciences BB: 14581-81-8...14 total

ref: mol2, SDF, SMILES, flexibase
2.11,10.52,-20.84,0,11,0, 454.428, 12

Similar to: 32109422, 34225212, 34225213, 34225214, 34225215, ... 10 in total.
8647942
 
#55

eMolecules: 5848160
Molport: MolPort-002-915-481
Ark Pharm Building Blocks: AK-55600
BioSynth: W-200620
Combi-Blocks: QB-6006...19 total

ref: mol2, SDF, SMILES, flexibase
1.58,4.1,-24.35,0,12,0, 477.422, 10

Similar to: 22055960, 22055965, 22055970, 22055975, 34575696, ... 19 in total.
25557792
 
#56

Aldrich CPR: R253073|ALDRICH
Anward: ANW-41412
TCI: C1749
TimTec: ST51242939
Tractus: TRA0012251...31 total

ref: mol2, SDF, SMILES, flexibase
-6.54,23.47,-232.19,0,4,4, 520.68, 0

Similar to: 27842984, 49045637, 49777247, 57460925, 57939324, ... 10 in total.
44069107
 
#57

Anward: ANW-30944
TCI: D2973
PubChem: 44629754
SureChEMBL: SCHEMBL5109160
AKOS (make-on-demand): AKOS015834543...5 total

ref: mol2, SDF, SMILES, flexibase
2.26,4.83,-4.32,0,4,0, 312.945, 2
1708838
 
#58

ChemMol: 44031588
Molport: MolPort-016-578-491
AK Scientific: 4282AB, V4265
American Custom Chemicals Corp.: CHM0004896
Angene Building Blocks: AGN-PC-04Y21G...48 total

ref: mol2, SDF, SMILES, flexibase
2.73,7.37,-5.65,0,1,0, 174.243, 1

Similar to: 5029362, 6340805, 32251432, 32251435, 34321139, ... 26 in total.
5029362
 
#59

ChemMol: 44031588
Molport: MolPort-016-578-491
AK Scientific: 8428AB, V4265, 8429AB
American Custom Chemicals Corp.: CHM0005157
Angene Building Blocks: AGN-PC-04Y21G...46 total

ref: mol2, SDF, SMILES, flexibase
2.73,1.47,-5.65,0,1,0, 174.243, 1

Similar to: 6340805, 32251432, 32251435, 34321139, 34403481, ... 26 in total.
36377556
 
#60

Anward: ANW-37304
TCI: B2658
Tractus: TRA0085904
PubChem: 11739095
ref: mol2, SDF, SMILES, flexibase
5.91,10.9,-2.05,0,0,0, 333.36, 4
44069126
 
#61

Anward: ANW-25876
TCI: B2659
Tractus: TRA0045699
PubChem: 22617204
SureChEMBL: SCHEMBL7106569...5 total

ref: mol2, SDF, SMILES, flexibase
5.78,10.8,-2.08,0,0,0, 288.909, 4
44069130
 
#62

TCI: B2660
Tractus: TRA0101263
PubChem: 44629758
ref: mol2, SDF, SMILES, flexibase
5.81,12.04,-2.85,0,0,0, 347.387, 5
44069134
 
#63

TCI: B2661
Tractus: TRA0101305
PubChem: 44629759
ref: mol2, SDF, SMILES, flexibase
4.44,7.97,-4.61,1,1,0, 284.49, 5
44069138
 
#64

TCI: B2662
Tractus: TRA0101271
PubChem: 44629760
ref: mol2, SDF, SMILES, flexibase
5.15,12.28,-5.83,0,2,0, 326.527, 7
44069142
 
#65

Anward: ANW-25877
BOC Sciences BB: 260968-03-4
TCI: T2216
Tractus: TRA0045700
PubChem: 22617206...6 total

ref: mol2, SDF, SMILES, flexibase
6.72,13.25,-2.71,0,0,0, 342.639, 6
26897745
 
#66

AK Scientific: W6348
AKOS: AKOS015919337
Angene Building Blocks: AGN-PC-0RT8JL
Anward: ANW-30183
Ark Pharm Building Blocks: AK-76714...28 total

ref: mol2, SDF, SMILES, flexibase
8.24,15.48,-3.99,0,0,0, 430.814, 8

Similar to: 39238951,
3087174
 
#67

Molport: MolPort-001-930-059
AK Scientific: P710
AKOS: AKOS000513793
Anward: ANW-29772
Ark Pharm Building Blocks: AK116637...22 total

ref: mol2, SDF, SMILES, flexibase
6.14,2.34,-7.94,0,1,0, 334.418, 2

Similar to: 4578418, 34524369, 34524370, 34530819, 34530821, ... 20 in total.
5316462
 
#68

Molport BB: MolPort-006-123-605
TCI: D3202
BOC Sciences BB (Depleted): 21934-68-9
ChemDB: 7606139
PubChem: 89556...6 total

ref: mol2, SDF, SMILES, flexibase
6.33,3.37,-11.38,0,4,0, 399.49, 3

Similar to: 4523077, 5139503, 5139509, 4272049, 4794696, ... 6 in total.
5316465
 
#69

Molport BB: MolPort-006-123-605
TCI: D3202
BOC Sciences BB (Depleted): 21934-68-9
ChemDB: 7606139
PubChem: 89556...6 total

ref: mol2, SDF, SMILES, flexibase
6.33,3.37,-11.42,0,4,0, 399.49, 3

Similar to: 4523077, 5139503, 5139509, 4272049, 4794696, ... 6 in total.
4794580
 
#70

eMolecules: 4396955
Molport: MolPort-002-549-719
AKOS: AKOS005458469
IBScreen: STOCK1S-57702
Mcule: MCULE-8908494803...14 total

ref: mol2, SDF, SMILES, flexibase
6.68,2.89,-14.86,0,4,0, 421.496, 3

Similar to: 4794582, 5160886, 5160907, 31361625, 31361627, ... 9 in total.
4794582
 
#71

eMolecules: 4396955
Molport: MolPort-002-549-719
AKOS: AKOS005458469
IBScreen: STOCK1S-57702
Mcule: MCULE-8908494803...14 total

ref: mol2, SDF, SMILES, flexibase
6.68,2.9,-14.88,0,4,0, 421.496, 3

Similar to: 5160886, 5160907, 31361625, 31361627, 31490579, ... 9 in total.
6018755
 
#72

Molport BB: MolPort-006-127-451
TCI: D3205
ChemDB: 7650013
PubChem: 169832
SureChEMBL: SCHEMBL1930643...5 total

ref: mol2, SDF, SMILES, flexibase
4.76,2.45,-11.32,0,5,0, 360.365, 2

Similar to: 38214994, 38214995, 38399786, 38464325, ... 4 in total.
5227143
 
#73

ChemMol: 98001112, 1200659
AKOS: AKOS009156529
Aldrich CPR: CDS001447|ALDRICH
Alfa-Aesar: L09506
Anward: ANW-26537...40 total

ref: mol2, SDF, SMILES, flexibase
3.65,1.03,-6.32,0,1,0, 209.459, 1

Similar to: 32237218,
1684860
 
#74

AKOS: AKOS009157587
Anward: ANW-35656
Element Store BB: b2star-6938-26-7
Key Organics Building Blocks: RS-1023
Molport BB: MolPort-003-936-979...20 total

ref: mol2, SDF, SMILES, flexibase
1.34,2.94,-4.84,1,3,0, 146.186, 5

Similar to: 5856724, 5857405, 39374927, 39374928, 39374929, ... 6 in total.
2046082
 
#75

AKOS: AKOS009157587
Anward: ANW-35656
Chembo Pharma: KB-03383
Element Store BB: b2star-6938-26-7
Key Organics Building Blocks: RS-1023...23 total

ref: mol2, SDF, SMILES, flexibase
1.34,2.94,-4.84,1,3,0, 146.186, 5

Similar to: 5837500, 5840868, 5856724, 5857405, 39374927, ... 8 in total.
2004910
 
#76

AK Scientific: R928
AZEPINE: AZ0001-0461
Molport BB: MolPort-001-784-950
TCI: T2208
Tetrahedron Building Blocks: TS40641...13 total

ref: mol2, SDF, SMILES, flexibase
1.42,1.13,-3.38,0,3,0, 148.202, 4

Similar to: 38759351,
4267460
 
#77

ChemMol: 97806384, 44033774, 97806248, 97806356, 97806379, 97806389, 97806231, 97806254, 97806358, 97806380, 97806247, 97806353, 97806373
Molport: MolPort-020-006-288, MolPort-020-006-346, MolPort-020-006-333, MolPort-020-006-344
Acros Organics: 38103, 38760
AK Scientific: 9058AA
Alfa-Aesar: 46909...583 total

ref: mol2, SDF, SMILES, flexibase
5.95,-4.11,-7.46,1,5,0, 281.155, 4

Similar to: 38221595,
8739315
 
#78

eMolecules: 4794267
AK Scientific: W0213
AKOS: AKOS003631749
American Custom Chemicals Corp.: CRB0000257
Ark Pharm Building Blocks: AK136202...18 total

ref: mol2, SDF, SMILES, flexibase
2.11,4.79,-19.8,0,11,0, 454.428, 12

Similar to: 12654392, 12654398, 12654404, 13372177, 13372179, ... 10 in total.
33358929
 
#79

ChemMol: 1030791
AK Scientific: W0217
American Custom Chemicals Corp.: CRB0000264
Anward: ANW-43788
Ark Pharm Building Blocks: AK117465...18 total

ref: mol2, SDF, SMILES, flexibase
-0.27,-5.2,-18.18,4,7,0, 286.28, 4

Similar to: 2151013, 31520493, 31520497,
34579768
 
#80

AK Scientific: X3448
American Custom Chemicals Corp.: CRB0002333
BioSynth: W-201273
J&K Chemical: A01521969
TCI: M1482...7 total

ref: mol2, SDF, SMILES, flexibase
0.77,-1.12,-11.82,3,7,0, 326.345, 7

Similar to: 38231021, 5239485, 518554, 5954941, 5954945, ... 9 in total.
44069152
 
#81

BioSynth: W-202649
J&K Chemical: A01431367
TCI: M1589
PubChem: 10960637
ref: mol2, SDF, SMILES, flexibase
3.22,7,-12.32,1,7,0, 414.454, 7
44069156
 
#82

BioSynth: W-201450
J&K Chemical: A01381909
TCI: M1593
BOC Sciences BB (Depleted): 159922-67-5
PubChem: 44629762...5 total

ref: mol2, SDF, SMILES, flexibase
1.18,-0.38,-9.55,2,7,0, 326.345, 4

Similar to: 38231021,
44069160
 
#83

TCI: M1594
PubChem: 44629763
ref: mol2, SDF, SMILES, flexibase
4.06,7.42,-12.09,1,8,0, 444.48, 7
38343229
 
#84

ChemMol: 44015248
AK Scientific: 2371AB
Anward: ANW-26008
Ark Pharm Building Blocks: AK-34446
BePharm Building Blocks: B2161...21 total

ref: mol2, SDF, SMILES, flexibase
-1.01,-2.92,-10.25,2,4,0, 150.203, 0
lo: mol2, SDF, SMILES, flexibase
-1.01,-3.12,-57.66,3,4,1, 151.211, 0

Similar to: 39270971,
895354
 
#85

CCP W191G binders: MFCD00011732
ChemMol: 44032176, 1201371, 44007070, 97806686, 44014864, 1201317, 30109463
L99A non-binders: PYRIDINE
Acros Organics: 22228, 35148, 13178, 41853, 29086, 44790, 42713, 16657, 33942, 41854, 39680, 18007, 44213, 30248, 21456, 36442, 38656, 13287, 17701, 18367
AK Scientific: I569...2841 total

ref: mol2, SDF, SMILES, flexibase
0.70,2.74,-3.95,0,1,0, 79.102, 0
lo: mol2, SDF, SMILES, flexibase
0.70,3.2,-29.69,1,1,1, 80.11, 0
58406527
 
#86

ChemMol: 30103600
eMolecules: 720882
Acros Organics: DFP00030
AK Scientific: 8761AD
AKOS: AKOS003652463...35 total

ref: mol2, SDF, SMILES, flexibase
1.00,2.18,-10.56,0,3,0, 225.313, 2

Similar to: 39278860, 38219968,
1574106
 
#87

AKOS: AKOS015848223
Anward: ANW-15991
NCI Plated 2007: 328473
TCI: A1819
Tractus: TRA0007959...14 total

ref: mol2, SDF, SMILES, flexibase
-1.23,-3.07,-10.65,2,4,0, 114.104, 0
44069164
 
#88

Anward: ANW-16039
Chembo Pharma: KB-238197
TCI: B2614
Tractus: TRA0008187
PubChem: 44629765...8 total

ref: mol2, SDF, SMILES, flexibase
2.11,3.59,-11.65,0,3,0, 290.182, 1
21984658
 
#89

ChemMol: 30103325
Anward: ANW-37525
APIChem: AC-13753
Chembo Pharma: KB-187010
Molport BB: MolPort-005-934-523...13 total

ref: mol2, SDF, SMILES, flexibase
1.98,2.51,-11.11,0,3,0, 245.731, 1

Similar to: 34977872, 34977876,
12956568
 
#90

Aldrich CPR: CDS000029|ALDRICH
Anward: ANW-26288
BOC Sciences BB: 27913-96-8
Molport BB: MolPort-006-823-535
Sigma Aldrich (Building Blocks): CDS000029|ALDRICH...14 total

ref: mol2, SDF, SMILES, flexibase
1.09,1.69,-15.68,0,4,0, 239.296, 2

Similar to: 34465117, 34977877, 36457053,
169236
 
#91

Molport: MolPort-002-344-660
AK Scientific: 3881AE
AKOS: AKOS005070406
Anward: ANW-30221
Ark Pharm Building Blocks: AK124050...25 total

ref: mol2, SDF, SMILES, flexibase
1.47,3.6,-16.03,0,5,0, 269.322, 3
21983465
 
#92

Anward: ANW-24125
Bosche Scientific: D4451
Chembo Pharma: KB-186781
Molport BB: MolPort-005-933-551
TCI: H1141...14 total

ref: mol2, SDF, SMILES, flexibase
-0.76,-3.54,-13.58,1,4,0, 193.268, 3
36162952
 
#93

Anward: ANW-33350
TCI: H1142
Tractus: TRA0072665
IBM Patent Data: 136206414
PubChem: 12324072...7 total

ref: mol2, SDF, SMILES, flexibase
-0.49,-2.51,-11.86,1,4,0, 207.295, 4
mid: mol2, SDF, SMILES, flexibase
-0.49,-0.41,-55.24,2,4,1, 208.303, 4

Similar to: 43445529, 44658766,
173378
 
#94

Anward: ANW-22849
BOC Sciences BB: 17688-68-5
Chembo Pharma: KB-193807
Molport BB: MolPort-003-699-453
TCI: P1603...17 total

ref: mol2, SDF, SMILES, flexibase
1.30,1.96,-10.43,0,3,0, 211.286, 1

Similar to: 34028141, 34465117, 36457053, 39278859, 39343019, ... 5 in total.
2510894
 
#95

Alfa-Aesar: H27682
Angene Building Blocks: AGN-PC-0HH9OD
Anward: ANW-17287
BioSynth: Q-102677
Georganics: GEO-02617...47 total

ref: mol2, SDF, SMILES, flexibase
-2.60,7.69,-27,0,2,1, 125.195, 2
ref: mol2, SDF, SMILES, flexibase
-2.60,7.69,-27.05,0,2,1, 125.195, 2

Similar to: 34457692, 34606622, 39041967,
34153438
 
#96

AKOS: AKOS015840671
Anward: ANW-21491
TCI: P1496
Tractus: TRA0027850
PubChem: 23175027...7 total

ref: mol2, SDF, SMILES, flexibase
6.22,11.81,-5.76,1,1,0, 269.347, 2
71791195
 
#97

AK Scientific: X6651
Anward: ANW-27446
Ark Pharm Building Blocks: AK123447
Chembo Pharma: KB-216583
Molport BB: MolPort-027-837-345...11 total

ref: mol2, SDF, SMILES, flexibase
5.83,10.05,-4.54,0,0,0, 336.026, 0
1560155
 
#98

ChemMol: 44021090
Acros Organics: 29506
AK Scientific: 9102AB
Anward: ANW-14013
Ark Pharm Building Blocks: AK-40865...36 total

ref: mol2, SDF, SMILES, flexibase
1.32,4.06,-5.24,0,2,0, 140.182, 2

Similar to: 4529398, 32229738, 32229740, 32229743, 34622205, ... 8 in total.
4529398
 
#99

ChemMol: 44021090
Acros Organics: 29506
AK Scientific: 9102AB
Anward: ANW-14013
Ark Pharm Building Blocks: AK-40865...37 total

ref: mol2, SDF, SMILES, flexibase
1.32,4.07,-5.1,0,2,0, 140.182, 2

Similar to: 32229738, 32229740, 32229743, 34622205, 34622206, ... 8 in total.
2122134
 
#100

eMolecules: 1711994
Molport: MolPort-000-993-701
Scientific Exchange (make on demand): M-051778
AKOS: AKOS000122910
Aldrich CPR: S764132|ALDRICH...37 total

ref: mol2, SDF, SMILES, flexibase
3.32,2.42,-3.31,0,1,0, 205.688, 1

Similar to: 34604533,

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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 = 583 ) limit 0,100

Smiles were