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174849
 
#1

ChemMol: 97900530, 51504811
eMolecules: 534567
Molport: MolPort-001-739-474
Active BioPharma: 1168
AK Scientific: 0428AA...48 total

ref: mol2, SDF, SMILES, flexibase
1.41,4.33,-12.32,2,3,0, 202.257, 3

Similar to: 6645436, 34544038, 34562775, 36457174, 41696703, ... 6 in total.
25720839
 
#2

ChemMol: 97900484
Active BioPharma: 1060
Molport BB: MolPort-003-983-518, MolPort-035-936-384
Sigma Aldrich (Building Blocks): A140|SIGMA
Tetrahedron Building Blocks: TS79081...29 total

ref: mol2, SDF, SMILES, flexibase
0.95,4.22,-5.89,0,3,0, 179.219, 3

Similar to: 33754479, 5826902,
3874336
 
#3

Apollo Scientific Bioactives: BIC8320
Molport BB: MolPort-003-983-638
Sigma Aldrich (Building Blocks): A6060|SIGMA
Tetrahedron Building Blocks: TS81132
TimTec: ST50826328...27 total

ref: mol2, SDF, SMILES, flexibase
1.55,-0.85,-17.84,3,7,0, 401.573, 13

Similar to: 7998874,
3874337
 
#4

Molport BB: MolPort-003-983-638
Tocris: 1025
Tractus: TRA0022628
Alfa-Aesar (Depleted): J62491
ChemDB: 3967657...8 total

ref: mol2, SDF, SMILES, flexibase
1.55,-0.85,-17.89,3,7,0, 401.573, 13

Similar to: 7998874,
3874338
 
#5

Apollo Scientific Bioactives: BIC8320
Molport BB: MolPort-003-983-638
Tocris: 1025
Tractus: TRA0022628
Alfa-Aesar (Depleted): J62491...11 total

ref: mol2, SDF, SMILES, flexibase
1.55,-1.68,-17.54,3,7,0, 401.573, 13

Similar to: 7998874,
3874339
 
#6

Molport BB: MolPort-003-983-638
Tocris: 1025
Tractus: TRA0022628
Alfa-Aesar (Depleted): J62491
ChemDB: 3967657...8 total

ref: mol2, SDF, SMILES, flexibase
1.55,-1.7,-19.4,3,7,0, 401.573, 13

Similar to: 7998874,
3995599
 
#7

Chembo Pharma: KB-270770
Tocris: 1064
BindingDB.org: 50339943, 50262988
ChEBI: CHEBI:2627, CHEBI:2628
ChEMBL DrugStore: CHEMBL1200541...39 total

ref: mol2, SDF, SMILES, flexibase
-3.42,12.95,-78.82,2,6,2, 537.576, 15
hi: mol2, SDF, SMILES, flexibase
-3.23,11.67,-65.3,1,6,1, 536.568, 15

Similar to: 31284124,
2557947
 
#8

ChemMol: 97900014
Molport: MolPort-001-761-274
Active BioPharma: 50
AK Scientific: X7479
Ark Pharm Building Blocks: AK-58195...57 total

ref: mol2, SDF, SMILES, flexibase
1.92,3.02,-11.13,3,5,0, 294.31, 4

Similar to: 3928712, 34634658, 41674280, 41674469, 41677321, ... 23 in total.
2011308
 
#9

ChemMol: 97900414
Active BioPharma: 843
Chembo Pharma: KB-186532
Molport BB: MolPort-003-666-578
Sigma Aldrich (Building Blocks): B8279|SIGMA...37 total

ref: mol2, SDF, SMILES, flexibase
2.49,3.81,-14.22,2,5,0, 278.352, 7

Similar to: 3630817, 3630819, 34523768, 34570037, ... 4 in total.
2011307
 
#10

ChemMol: 97900414
Active BioPharma: 843
Chembo Pharma: KB-186532
Molport BB: MolPort-003-666-578
Sigma Aldrich (Building Blocks): B8279|SIGMA...33 total

ref: mol2, SDF, SMILES, flexibase
2.49,3.82,-14.52,2,5,0, 278.352, 7

Similar to: 3630817, 3630819, 34523768, 34570037, ... 4 in total.
2169917
 
#11

Tocris: 1853
Toronto Research Chemicals: H283000
ChEMBL12: CHEMBL1397913
ChEMBL19: CHEMBL1397913
PubChem: 5175...7 total

ref: mol2, SDF, SMILES, flexibase
5.75,8.16,-8.75,1,3,0, 339.888, 8

Similar to: 2557944, 1649496,
2557949
 
#12

ChemMol: 97900517
Active BioPharma: 1144
Chembo Pharma: KB-146973
Molport BB: MolPort-003-983-782
Tetrahedron Building Blocks: TS63744...18 total

ref: mol2, SDF, SMILES, flexibase
6.18,11.6,-11.15,1,3,0, 331.806, 3

Similar to: 39292996,
2169915
 
#13

ChemMol: 97900365
Active BioPharma: 690
Ark Pharm Building Blocks: AK-56403
Chembo Pharma: KB-197477
Sigma Aldrich (Building Blocks): P2803|SIGMA...19 total

ref: mol2, SDF, SMILES, flexibase
6.40,11.19,-10.38,1,3,0, 401.959, 9

Similar to: 6408886, 6416381, 33766668, 38798284, ... 4 in total.
1379
 
#14

ChemMol: 97900518
Active BioPharma: 1149
Element Store BB: b2star-51022-77-6
FineTech: FT-0625719
Molport BB: MolPort-003-666-862...37 total

ref: mol2, SDF, SMILES, flexibase
3.34,7.17,-10.5,1,7,0, 289.339, 6
57237
 
#15

ChemMol: 97900533
Active BioPharma: 1171
Molport BB: MolPort-004-964-764
Tocris: 2158
BindingDB.org: 50043289...18 total

ref: mol2, SDF, SMILES, flexibase
2.05,4.17,-14.22,2,4,0, 266.728, 4

Similar to: 1543476,
19796155
 
#16

ChemMol: 97900006, 30101986, 44002342
eMolecules: 36635336
Molport: MolPort-001-728-041
Active BioPharma: 32
AK Scientific: H482...119 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.55,-7.08,1,4,0, 326.831, 1
mid: mol2, SDF, SMILES, flexibase
4.14,11.23,-89.99,3,4,2, 328.847, 1
mid: mol2, SDF, SMILES, flexibase
4.14,9.89,-42.06,2,4,1, 327.839, 1
hi: mol2, SDF, SMILES, flexibase
4.14,8.88,-23.43,2,4,1, 327.839, 1
lo: mol2, SDF, SMILES, flexibase
4.14,11.17,-19.71,4,4,0, 329.855, 1

Similar to: 31880687, 32131087, 32131089, 34450909, 34539532, ... 18 in total.
3871838
 
#17

ChemMol: 97900486
Active BioPharma: 1062
American Custom Chemicals Corp.: INB0000266
BOC Sciences BB: 117591-20-5
Chembo Pharma: KB-271652...29 total

ref: mol2, SDF, SMILES, flexibase
5.84,8.3,-11.2,2,6,0, 362.47, 12
133
 
#18

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
1530575
 
#19

ChemMol: 30100108, 44010768
Molport: MolPort-001-742-263
TCM Database @ Taiwan: 34570, tcm03_001166
AK Scientific: N735
American Custom Chemicals Corp.: HBL0000104...186 total

ref: mol2, SDF, SMILES, flexibase
3.10,6.6,-9.89,2,4,0, 305.418, 9

Similar to: 4468952, 5358329, 5358398, 5358420, 5358428, ... 7 in total.
3871859
 
#20

ChemMol: 97900491
Active BioPharma: 1069
BOC Sciences BB: 138977-28-3
Cayman Chemical: 10007518
Fluorochem: M01458...32 total

ref: mol2, SDF, SMILES, flexibase
3.93,7.74,-18.05,3,4,0, 376.909, 5
8036004
 
#21

MicroSource Pharmakon: 01502264
MicroSource US Drugs: 01502264
Tocris: 1371
ChEMBL DrugStore: CHEMBL144620
ChEMBL12: CHEMBL144620...18 total

ref: mol2, SDF, SMILES, flexibase
-0.58,-2.83,-15.15,5,5,0, 217.14, 2
64696532
 
#22

Tocris: 1558
ChEMBL12: CHEMBL1559578
ChEMBL19: CHEMBL1559578
Collaborative Drug Discovery: 1419409
The Broad via PubChem: BRD-K38477985-001-01-8...6 total

ref: mol2, SDF, SMILES, flexibase
-1.59,9.91,-5.64,1,3,0, 282.387, 3
2555356
 
#23

ChemMol: 97900389
Active BioPharma: 767
BOC Sciences BB: 1952-15-4
Element Store BB: b2star-1952-15-4
Molport BB: MolPort-003-940-940...36 total

ref: mol2, SDF, SMILES, flexibase
-0.19,14.24,-35.8,0,3,1, 324.444, 5

Similar to: 3630868, 34522652, 34522653, 38748553, 38748554, ... 12 in total.
17654239
 
#24

Sigma Aldrich (Building Blocks): D8907|SIGMA
Tocris: 1330
ChEMBL19: CHEMBL2268841
ChemDB: 3966386
PubChem: 3093...7 total

ref: mol2, SDF, SMILES, flexibase
6.15,13.51,-7.64,0,4,0, 314.466, 17
15331
 
#25

eMolecules: 595055
Molport: MolPort-003-850-808
Scientific Exchange (make on demand): Z-092485
AKOS: AKOS005715658
BOC Sciences BB: 118409-57-7...39 total

ref: mol2, SDF, SMILES, flexibase
1.20,1.39,-15.47,2,4,0, 186.17, 1
hi: mol2, SDF, SMILES, flexibase
1.20,2.31,-47.54,1,4,-1, 185.162, 1

Similar to: 34541434,
15333
 
#26

eMolecules: 784094
Molport: MolPort-002-903-628
Cayman Chemical: 10010313
Chembo Pharma: KB-62191
Chemstep: 54237...26 total

ref: mol2, SDF, SMILES, flexibase
0.15,-2.32,-12.35,4,5,0, 204.185, 2

Similar to: 160657,
3995626
 
#27

Sigma Aldrich (Building Blocks): W0641|SIGMA
Tocris: 1967
BindingDB.org: 50074569
ChEMBL12: CHEMBL31599, CHEMBL266295
ChEMBL12 10uM: CHEMBL266295...14 total

ref: mol2, SDF, SMILES, flexibase
-3.06,5.89,-86.97,0,8,2, 548.728, 15

Similar to: 26988940, 27978907, 27980027, 27981496, 28523383, ... 6 in total.
9227024
 
#28

ChemMol: 97900333
Active BioPharma: 640
Molport BB: MolPort-003-983-834
Sigma Aldrich (Building Blocks): E006|SIGMA
Tocris: 1599...23 total

ref: mol2, SDF, SMILES, flexibase
2.02,3.27,-10.64,2,4,0, 225.251, 1
mid: mol2, SDF, SMILES, flexibase
2.02,3.76,-38.44,3,4,1, 226.259, 1

Similar to: 39292075, 39376390, 39376391, 39376392, 39376393, ... 7 in total.
2504592
 
#29

ChemMol: 97900453
Active BioPharma: 948
American Custom Chemicals Corp.: KIN0000099
Ark Pharm Building Blocks: AK162178
Bide Pharmatech BB: BD0057...30 total

ref: mol2, SDF, SMILES, flexibase
1.78,0.75,-8.62,2,4,0, 194.186, 3

Similar to: 13719806, 39026181, 44220457,
3871437
 
#30

ChemMol: 97900521
Active BioPharma: 1152
Element Store BB: b2star-133550-37-5
Molport BB: MolPort-003-983-810
Tetrahedron Building Blocks: TS76257...29 total

ref: mol2, SDF, SMILES, flexibase
2.48,3.88,-10.98,3,5,0, 308.337, 4

Similar to: 41671855, 41673292, 41675425, 41690462, 41690464, ... 32 in total.
393133
 
#31

eMolecules: 8318181
Molport: MolPort-003-666-509
Aldrich CPR: S302872|ALDRICH
IBScreen NP: STOCK1N-28248
Mcule: MCULE-9861159017...36 total

ref: mol2, SDF, SMILES, flexibase
-2.56,7.34,-31.18,0,2,1, 154.233, 2

Similar to: 6139193, 6374838, 39348609,
25756875
 
#32

ChemMol: 97900620
Active BioPharma: 1353
Chembo Pharma: KB-280405
Molport BB: MolPort-003-959-092
Sigma Aldrich (Building Blocks): P2607|SIGMA...24 total

ref: mol2, SDF, SMILES, flexibase
3.63,8.01,-5.93,0,4,0, 317.429, 6

Similar to: 31560020, 32130742, 32130744,
19632700
 
#33

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
 
#34

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.
2557957
 
#35

ChemMol: 97900526
Molport: MolPort-003-983-734
Active BioPharma: 1160
Molport BB: MolPort-003-983-734
Otava: 1891968...23 total

ref: mol2, SDF, SMILES, flexibase
2.85,4.57,-11.8,3,5,0, 322.364, 6

Similar to: 34042778, 41673951, 41673954, 41710601, 41710604, ... 8 in total.
15335
 
#36

ChemMol: 97900525
Active BioPharma: 1159
Cayman Chemical: 10010242
Chembo Pharma: KB-250696
Molport BB: MolPort-003-983-737...23 total

ref: mol2, SDF, SMILES, flexibase
2.22,2.9,-11.76,3,5,0, 280.283, 3

Similar to: 12352660, 41689384, 41689914, 41691338, 41692146, ... 15 in total.
12514
 
#37

ChemMol: 97900778
Active BioPharma: 1620
Tocris: 1902
Tractus: TRA0020584
AKOS BB (make-on-demand): AKOS015911005...15 total

ref: mol2, SDF, SMILES, flexibase
2.98,5.48,-12.25,2,5,0, 315.35, 6
1530948
 
#38

ChemMol: 44002519, 97900477, 30102213
Active BioPharma: 1038
American Custom Chemicals Corp.: API0000090
Angene Building Blocks: AGN-PC-07A27A
Anward: ANW-53225...134 total

ref: mol2, SDF, SMILES, flexibase
0.34,2.46,-13.39,1,6,0, 258.233, 1

Similar to: 1607095, 3980238, 3981213, 3981214, 3981219, ... 19 in total.
1530947
 
#39

ChemMol: 30102213, 44002519, 97900477
Active BioPharma: 1038
American Custom Chemicals Corp.: API0000112
Angene Building Blocks: AGN-PC-07A27A
Anward: ANW-53225...148 total

ref: mol2, SDF, SMILES, flexibase
0.34,2.64,-15.5,1,6,0, 258.233, 1

Similar to: 1530948, 3980238, 3981213, 3981219, 5758423, ... 10 in total.
3786562
 
#40

ChemMol: 97900746
Active BioPharma: 1560
Tocris: 1390
Tractus: TRA0025339
AKOS BB (make-on-demand): AKOS015911544...14 total

ref: mol2, SDF, SMILES, flexibase
8.92,17.85,-8.98,1,3,0, 487.515, 13
3870481
 
#41

ChemMol: 97900002
Active BioPharma: 25
Molport BB: MolPort-003-940-598
Ryan Scientific: 048-04401
Ryan Scientific BB: 093-61698...49 total

ref: mol2, SDF, SMILES, flexibase
5.46,12.38,-10.59,0,3,0, 352.865, 4

Similar to: 38289506, 39134220, 39134221, 39134222, ... 4 in total.
3870482
 
#42

ChemMol: 97900002
Active BioPharma: 25
Molport BB: MolPort-003-940-598
Ryan Scientific: 048-04401
Ryan Scientific BB: 093-61698...50 total

ref: mol2, SDF, SMILES, flexibase
5.46,12.38,-10.5,0,3,0, 352.865, 4

Similar to: 38289506, 39134220, 39134221, 39134222, ... 4 in total.
13782937
 
#43

Molport: MolPort-005-976-538, MolPort-003-983-442
AKOS: AKOS015994717
American Custom Chemicals Corp.: API0003022, API0006522
Ark Pharm Building Blocks: AK110411
BioSynth: W-107489...232 total

ref: mol2, SDF, SMILES, flexibase
-1.47,9.34,-34.51,1,4,1, 332.464, 6

Similar to: 32149595, 32150171, 32150184, 34424649, 34582155, ... 13 in total.
20281047
 
#44

ChemMol: 97900626
eMolecules: 8318215
Active BioPharma: 1360
AK Scientific: V7621
Apexmol Building Blocks: AM807442...31 total

ref: mol2, SDF, SMILES, flexibase
2.87,6.53,-3.36,1,1,0, 209.292, 1

Similar to: 23641558, 23641560, 31982321, 39367160, 39367162, ... 8 in total.
20281051
 
#45

ChemMol: 97900626
eMolecules: 8318215
Active BioPharma: 1360
AK Scientific: V7621
Apexmol Building Blocks: AM807442...33 total

ref: mol2, SDF, SMILES, flexibase
2.87,6.49,-2.76,1,1,0, 209.292, 1

Similar to: 23641558, 23641560, 31982321, 39367160, 39367162, ... 8 in total.
22309498
 
#46

ChemMol: 97900599
eMolecules: 1933803
Molport: MolPort-003-983-478
Scientific Exchange (make on demand): X-012015
Active BioPharma: 1314...27 total

ref: mol2, SDF, SMILES, flexibase
3.78,7.78,-10.84,0,5,0, 353.447, 3

Similar to: 25372366, 599055,
2516056
 
#47

ChemMol: 97900352
Active BioPharma: 666
Chembo Pharma: KB-270628
Molport BB: MolPort-003-983-480
Tocris: 1523...30 total

ref: mol2, SDF, SMILES, flexibase
2.65,4.5,-11.69,2,4,0, 358.179, 4
8830550
 
#48

Cayman Chemical: 62510
Tocris: 2144
Toronto Research Chemicals: C262500
ChEBI: CHEBI:46979
ChEMBL12: CHEMBL1473780...23 total

ref: mol2, SDF, SMILES, flexibase
5.42,-3.21,-7.71,3,4,0, 341.536, 16

Similar to: 34404894, 34404895, 34404896, 34404897, 43300481, ... 9 in total.
19796031
 
#49

ChemMol: 97900508, 44022465, 30116014
eMolecules: 902670
Active BioPharma: 1120
Alinda Building Blocks: ALBB-022444
Amadis Chemical: A846459...100 total

ref: mol2, SDF, SMILES, flexibase
4.12,10.38,-9.37,0,4,0, 350.462, 4

Similar to: 31351589, 31494242, 31544239, 33755493, 33854434, ... 11 in total.
838490
 
#50

ChemMol: 97900798
Active BioPharma: 1651
Molport BB: MolPort-003-983-574
Tocris: 1127
ChEMBL12: CHEMBL1339029...9 total

ref: mol2, SDF, SMILES, flexibase
3.13,6.89,-13.69,3,7,0, 375.432, 6
mid: mol2, SDF, SMILES, flexibase
3.13,7.26,-29.57,4,7,1, 376.44, 6

Similar to: 34469963, 38421511, 38423336, 38424584, 38430217, ... 16 in total.
22309494
 
#51

ChemMol: 97900608
Active BioPharma: 1324
Tocris: 2159
BindingDB.org: 50028600
ChEMBL12: CHEMBL90882...21 total

ref: mol2, SDF, SMILES, flexibase
4.78,9.39,-4.85,0,3,0, 326.827, 1

Similar to: 33826419, 33826421,
18203737
 
#52

ChemMol: 30102498, 44016407
eMolecules: 851378, 529123, 857786
Molport: MolPort-000-893-685
Scientific Exchange (make on demand): POD_67/0107, R-064199
Acros Organics: 12746...229 total

ref: mol2, SDF, SMILES, flexibase
1.33,4.95,-14.59,1,3,0, 174.203, 1
ref: mol2, SDF, SMILES, flexibase
1.78,5.2,-11.06,0,3,0, 174.203, 1
mid: mol2, SDF, SMILES, flexibase
1.79,3.03,-7.71,1,3,0, 174.203, 1

Similar to: 26516460, 34939306, 34939334, 38458032, 39384909, ... 7 in total.
157165
 
#53

ChemMol: 30100249
eMolecules: 492147
Scientific Exchange (make on demand): F-297308
Acros Organics: 33908
AK Scientific: U693...101 total

ref: mol2, SDF, SMILES, flexibase
-0.19,-0.85,-9.27,4,3,0, 136.154, 1

Similar to: 34604201,
56648
 
#54

eMolecules: 492659
Acros Organics: RDP00167
AK Scientific: K009
Angene Building Blocks: AGN-PC-0BTSDG
Anward: ANW-42230...139 total

ref: mol2, SDF, SMILES, flexibase
3.72,7.71,-6.06,0,3,0, 242.702, 5

Similar to: 3634641, 5350680, 31555512, 31555513, 31555514, ... 10 in total.
1979
 
#55

ChemMol: 44011667
eMolecules: 593774
Scientific Exchange (make on demand): M-982010
AK Scientific: H808
AKOS: AKOS003368409...83 total

ref: mol2, SDF, SMILES, flexibase
0.92,1.9,-12.3,2,4,0, 218.256, 2

Similar to: 32189196, 32199067, 32199070,
6845543
 
#56

eMolecules: 4395600, 33574886
Chembo Pharma: KB-216124
Sigma Aldrich (Building Blocks): 180858|ALDRICH
Tocris: 1291
Vitas-M: STK396656...32 total

ref: mol2, SDF, SMILES, flexibase
-3.28,17.97,-84.69,0,2,2, 354.582, 13

Similar to: 38220096, 38233749, 38265052, 38265063, 38281877, ... 5 in total.
2008501
 
#57

ChemMol: 97900638
Active BioPharma: 1373
Element Store BB: b2star-36112-95-5
Tocris: 1815
ChEMBL12: CHEMBL528080...21 total

ref: mol2, SDF, SMILES, flexibase
1.88,1.79,-10.35,2,3,0, 218.252, 4

Similar to: 4071880, 4071881, 4071886, 4071888, 6117705, ... 28 in total.
2008503
 
#58

ChemMol: 97900638
Active BioPharma: 1373
Element Store BB: b2star-36112-95-5
Tocris: 1815
ChEMBL12: CHEMBL528080...17 total

ref: mol2, SDF, SMILES, flexibase
1.88,1.79,-10.34,2,3,0, 218.252, 4

Similar to: 4071880, 4071881, 4071886, 4071888, 6117705, ... 28 in total.
15951
 
#59

ChemMol: 97900487, 44004257, 30104797
Molport: MolPort-002-348-163
Active BioPharma: 1065
AK Scientific: K231
AKOS: AKOS005066313...74 total

ref: mol2, SDF, SMILES, flexibase
0.69,5.63,-19.04,0,4,0, 219.24, 2

Similar to: 25050177, 25068729, 25070490, 25073354, 25088219, ... 9 in total.
4533909
 
#60

Tocris: 1549
Tractus: TRA0026333
BindingDB.org: 50154579, 50033819
ChEMBL12: CHEMBL188166, CHEMBL173230
ChEMBL12 10uM: CHEMBL173230...15 total

ref: mol2, SDF, SMILES, flexibase
4.58,4.52,-12.87,2,5,0, 472.385, 9

Similar to: 12577803, 12580177, 49841875,
1530803
 
#61

ChemMol: 30113544, 44027436
eMolecules: 538231
AKOS: AKOS015895100
Anward: ANW-65602
APIChem: AC-8197...92 total

ref: mol2, SDF, SMILES, flexibase
1.35,-1.54,-12.05,4,6,0, 238.243, 7

Similar to: 38255037, 38525896, 38525897,
3941
 
#62

ChemMol: 2101616, 97900022
Active BioPharma: 62
Apexmol Building Blocks: AM20020263
Bachem: Q-1885
Beijing Acemol Technology: AMOT0032...33 total

ref: mol2, SDF, SMILES, flexibase
3.61,8.44,-12.45,2,3,0, 292.382, 5
3995738
 
#63

ChemMol: 97901272
Active BioPharma: 2547
Tocris: 1985
Tractus: TRA0026119
BindingDB.org: 50291383...15 total

ref: mol2, SDF, SMILES, flexibase
2.69,2.76,-14.78,2,5,0, 373.352, 5

Similar to: 3995739, 39037160,
3995739
 
#64

ChemMol: 97901272
Active BioPharma: 2547
Tocris: 1985
Tractus: TRA0026119
BindingDB.org: 50291383...18 total

ref: mol2, SDF, SMILES, flexibase
2.69,2.76,-14.69,2,5,0, 373.352, 5

Similar to: 39037160, 3995738,
25758512
 
#65

Molport BB: MolPort-003-941-107
Tocris: 1292
BindingDB.org: 50049047, 50067725, 60920, 50010686
ChEMBL12: CHEMBL101446, CHEMBL1256832, CHEMBL1461491, CHEMBL25856
ChEMBL12 10uM: CHEMBL25856...45 total

ref: mol2, SDF, SMILES, flexibase
2.38,2.34,-7.4,3,3,0, 267.328, 0

Similar to: 26746089, 26746094, 26746099, 38477220, 38526497, ... 13 in total.
2567732
 
#66

ChemMol: 97900654
Active BioPharma: 1407
Molport BB: MolPort-003-848-587
Tocris: 1431
Toronto Research Chemicals: M261275...21 total

ref: mol2, SDF, SMILES, flexibase
1.10,2.54,-17.68,3,6,0, 275.308, 5

Similar to: 34228122, 34335767, 39295959, 39296003, 39296024, ... 6 in total.
18207290
 
#67

ChemMol: 30102681, 30102499
eMolecules: 901649, 1107425
Molport: MolPort-002-542-886, MolPort-020-109-101
APIChem: AC-4278, AC-8100
IBScreen Bioactives: Bio-0395...61 total

ref: mol2, SDF, SMILES, flexibase
0.14,8.95,-14.19,3,6,0, 252.347, 7
mid: mol2, SDF, SMILES, flexibase
0.14,9.41,-42.45,4,6,1, 253.355, 7

Similar to: 31475550,
2000919
 
#68

ChemMol: 97900016, 97900093
Molport: MolPort-000-860-686, MolPort-003-983-800
Active BioPharma: 169, 53
AF ChemPharm: CP-1162
AK Scientific: X5034...100 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.44,-11.23,1,4,0, 275.348, 4

Similar to: 3952678, 3964432, 34041422, 34041423, 34042492, ... 19 in total.
4982
 
#69

ChemMol: 97900016, 30114515, 97900092
Molport: MolPort-000-860-686
Active BioPharma: 53, 168
AF ChemPharm: CP-1162
AK Scientific: P623...114 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.43,-11.26,1,4,0, 275.348, 4

Similar to: 22479, 2000919, 3952678, 60067825, 60067826, ... 5 in total.
3872076
 
#70

ChemMol: 97900640
Active BioPharma: 1378
Angene Building Blocks: AGN-PC-0TSX6L
Element Store BB: b2star-68550-75-4
Molport BB: MolPort-003-940-830...32 total

ref: mol2, SDF, SMILES, flexibase
2.99,8.23,-17.38,1,5,0, 342.439, 6

Similar to: 34355761, 34355764, 34355766, 34355782, 34355785, ... 40 in total.
156214
 
#71

ChemMol: 97900303, 1035955
eMolecules: 595061
Active BioPharma: 596
AK Scientific: 8459AD
AKOS: AKOS015852668...43 total

ref: mol2, SDF, SMILES, flexibase
2.33,8.09,-7.89,0,2,0, 212.174, 2
mid: mol2, SDF, SMILES, flexibase
2.33,8.6,-31.8,1,2,1, 213.182, 2

Similar to: 34865809, 39129405,
25757829
 
#72

Molport: MolPort-035-395-721
BOC Sciences BB: 121917-57-5
Chembo Pharma: KB-78877
Molport BB: MolPort-003-958-626
Prestwick Chemical: Prestw-109...87 total

ref: mol2, SDF, SMILES, flexibase
3.48,6.6,-4.25,1,1,0, 221.303, 0

Similar to: 26011425, 34586834, 6661384, 1482044, 1854016, ... 5 in total.
53122805
 
#73

ChemMol: 97900891
Active BioPharma: 1862
Chembo Pharma: KB-226798
Sigma Aldrich (Building Blocks): A5736|SIGMA
Tocris: 1247...25 total

ref: mol2, SDF, SMILES, flexibase
2.82,9.11,-11.18,0,6,0, 407.514, 5

Similar to: 2581458, 8138888, 8241988, 8060962, 7910294, ... 8 in total.
2568244
 
#74

Cayman Chemical: 13241, 90084
Sigma Aldrich (Building Blocks): C1112|SIGMA
Tocris: 2213
Toronto Research Chemicals: C781400
BindingDB.org: 50000731...25 total

ref: mol2, SDF, SMILES, flexibase
6.24,6.62,-5.85,3,3,0, 376.581, 10

Similar to: 6397118, 6397119, 6397120, 26177749, 26177754, ... 37 in total.
1544161
 
#75

ChemMol: 97900720
Active BioPharma: 1518
MedChem Express: HY-18689
Tetrahedron Building Blocks: TS79808
Tocris: 1890...19 total

ref: mol2, SDF, SMILES, flexibase
3.72,5.74,-10.66,3,7,0, 366.421, 3

Similar to: 3824924, 13604057, 13604058, 13604060, 13604062, ... 7 in total.
3824924
 
#76

ChemMol: 97900720
Active BioPharma: 1518
MedChem Express: HY-18689
Tetrahedron Building Blocks: TS79808
Tocris: 1890...17 total

ref: mol2, SDF, SMILES, flexibase
3.72,5.75,-10.35,3,7,0, 366.421, 3

Similar to: 1544161,
2572463
 
#77

Cayman Chemical: 90083
Element Store BB: b2star-112830-95-2
Sequoia Research Products: 112830-95-2
Sigma Aldrich (Building Blocks): H7909|SIGMA
Tocris: 2257...38 total

ref: mol2, SDF, SMILES, flexibase
8.14,-0.41,-6.19,2,3,0, 386.576, 7

Similar to: 26288780, 34470129, 38579450, 38579479, 38579480, ... 7 in total.
3872170
 
#78

ChemMol: 97900423, 83601530
Molport: MolPort-001-739-477
Scientific Exchange (make on demand): F-393926
Acros Organics: 35742
Active BioPharma: 875...143 total

ref: mol2, SDF, SMILES, flexibase
0.76,3.22,-17,2,5,0, 281.352, 3

Similar to: 4073970, 4536598, 8579261, 11592912, 11592913, ... 11 in total.
5552
 
#79

Molport BB: MolPort-003-983-833
Sigma Aldrich (Building Blocks): Z3777|SIGMA
Tetrahedron Building Blocks: TS35566
Tocris: 2251
Tractus: TRA0020819...30 total

ref: mol2, SDF, SMILES, flexibase
-0.74,9.98,-26.4,1,4,1, 257.361, 4
608245
 
#80

Sigma Aldrich (Building Blocks): C5366|SIGMA
Tocris: 2163
BindingDB.org: 84948
ChEMBL DrugStore: CHEMBL1398654
ChEMBL12: CHEMBL1398654...19 total

ref: mol2, SDF, SMILES, flexibase
-3.73,13.58,-115.43,0,2,2, 358.14, 3

Similar to: 1656000, 34342775,
53064442
 
#81

ChemMol: 97900490
Molport: MolPort-003-940-399
Active BioPharma: 1068
AK Scientific: X7600
Anward: ANW-53719...51 total

ref: mol2, SDF, SMILES, flexibase
2.50,8.23,-10.83,0,6,0, 385.508, 5
2037285
 
#82

ChemMol: 97900435
Active BioPharma: 912
Molport BB: MolPort-006-069-029, MolPort-003-983-670
Sigma Aldrich (Building Blocks): L1663|SIGMA
Synblock: MB00591...40 total

ref: mol2, SDF, SMILES, flexibase
-1.84,9.61,-32.94,1,3,1, 263.405, 6

Similar to: 3650620, 5846333, 33753849, 37078303, ... 5 in total.
3809850
 
#83

Cayman Chemical: 390050, 90050
Element Store BB: b2star-94421-68-8
Molport BB: MolPort-003-940-012
Ryan Scientific BB: 074-60829
Sigma Aldrich (Building Blocks): A0580|SIGMA...66 total

ref: mol2, SDF, SMILES, flexibase
5.65,10.06,-9.33,2,3,0, 347.543, 16

Similar to: 33838809, 34430547,
2013702
 
#84

ChemMol: 97900810
Active BioPharma: 1672
Chembo Pharma: KB-166502
Element Store BB: b2star-133040-77-4
Sigma Aldrich (Building Blocks): L2545|SIGMA...19 total

ref: mol2, SDF, SMILES, flexibase
6.33,14.73,-13.58,1,5,0, 502.412, 6
7999025
 
#85

Tetrahedron Building Blocks: TS35698
Tocris: 1040
AKOS BB (make-on-demand): AKOS015909613
ChEMBL12: CHEMBL164770, CHEMBL1476108
ChEMBL12 10uM: CHEMBL164770...20 total

ref: mol2, SDF, SMILES, flexibase
2.87,4.63,-10.99,2,5,0, 294.31, 2

Similar to: 66258521, 66258522, 66259495, 66259496, ... 5 in total.
3946640
 
#86

Tetrahedron Building Blocks: TS35698
Tocris: 1040
BindingDB.org: 50263669
ChEMBL12: CHEMBL507522, CHEMBL164770
ChEMBL12 10uM: CHEMBL164770...20 total

ref: mol2, SDF, SMILES, flexibase
2.87,4.63,-11.22,2,5,0, 294.31, 2

Similar to: 7999025,
13704065
 
#87

Chembo Pharma: KB-49121
Sigma Aldrich (Building Blocks): SML1124|SIGMA
Tocris: 2314
Tractus: TRA0034066
BindingDB.org: 86213...28 total

ref: mol2, SDF, SMILES, flexibase
2.30,4.53,-8.27,1,5,0, 247.25, 3
ref: mol2, SDF, SMILES, flexibase
2.30,4.52,-9.01,1,5,0, 247.25, 3

Similar to: 13719863,
13719863
 
#88

Chembo Pharma: KB-49121
Sigma Aldrich (Building Blocks): SML1124|SIGMA
Tocris: 2314
BindingDB.org: 86213, 50094186, 50409036, 50089903, 50198704
ChEMBL12: CHEMBL327783...25 total

ref: mol2, SDF, SMILES, flexibase
2.30,4.54,-8.28,1,5,0, 247.25, 3
ref: mol2, SDF, SMILES, flexibase
2.30,4.52,-9.02,1,5,0, 247.25, 3

Similar to: 13704065,
19537374
 
#89

ChemMol: 97900050, 30108771, 97901141, 44000905
eMolecules: 1254510
Molport: MolPort-001-900-168
Active BioPharma: 2396, 101
AK Scientific: R416...90 total

ref: mol2, SDF, SMILES, flexibase
1.93,7.01,-9.97,0,6,0, 298.346, 3

Similar to: 31554142, 31554144, 31554150, 31554200, 31570634, ... 12 in total.
3995796
 
#90

ChemMol: 97900789
Active BioPharma: 1641
Molport BB: MolPort-003-983-498
Tocris: 2318
Tractus: TRA0021645...22 total

ref: mol2, SDF, SMILES, flexibase
3.74,9.46,-8.55,1,2,0, 279.383, 3

Similar to: 3995799, 14092, 3791923,
14092
 
#91

ChemMol: 97900789
Active BioPharma: 1641
Molport BB: MolPort-003-983-498
Tocris: 2318
Tractus: TRA0021645...20 total

ref: mol2, SDF, SMILES, flexibase
3.74,9.68,-7.49,1,2,0, 279.383, 3

Similar to: 3791923, 3995796, 3995799,
3791923
 
#92

ChemMol: 97900789
Active BioPharma: 1641
Molport BB: MolPort-003-983-498
Tocris: 2318
Tractus: TRA0021645...23 total

ref: mol2, SDF, SMILES, flexibase
3.74,9.68,-7.49,1,2,0, 279.383, 3

Similar to: 3995796, 3995799, 14092,
3995799
 
#93

ChemMol: 97900789
Active BioPharma: 1641
Molport BB: MolPort-003-983-498
Tocris: 2318
Tractus: TRA0021645...21 total

ref: mol2, SDF, SMILES, flexibase
3.74,9.45,-8.56,1,2,0, 279.383, 3

Similar to: 14092, 3995796, 3791923,
3792127
 
#94

Molport: MolPort-022-863-695
Ryan Scientific: 048-04511
Ryan Scientific BB: 093-61808
Tocris: 2313
Tractus: TRA0021644...18 total

ref: mol2, SDF, SMILES, flexibase
2.61,5.5,-8.93,1,3,0, 233.311, 3

Similar to: 3995801, 39310994, 39310995,
3995801
 
#95

Molport: MolPort-022-863-695
Ryan Scientific: 048-04511
Ryan Scientific BB: 093-61808
Tocris: 2313
Tractus: TRA0021644...14 total

ref: mol2, SDF, SMILES, flexibase
2.61,5.5,-8.93,1,3,0, 233.311, 3

Similar to: 13833089, 39310994, 39310995,
600292
 
#96

ChemMol: 44024737, 97900825
Molport: MolPort-008-002-438
Active BioPharma: 1703
AK Scientific: X7470, W3343
AKOS: AKOS003077033...84 total

ref: mol2, SDF, SMILES, flexibase
4.06,8.59,-10.58,1,5,0, 360.211, 4

Similar to: 36452939, 38426175,
25783468
 
#97

ChemMol: 97900480
Active BioPharma: 1054
AK Scientific: Y0477, 5842AA
Anward: ANW-65408
Ark Pharm Building Blocks: AK102773...53 total

ref: mol2, SDF, SMILES, flexibase
4.72,11.14,-12.66,0,5,0, 426.516, 4

Similar to: 31356833, 31356835, 576929, 576932, ... 4 in total.
2564009
 
#98

eMolecules: 1053990
Molport: MolPort-000-874-485
AK Scientific: Z6277
AKOS: AKOS001213900
Alinda Building Blocks: ALBB-016286...53 total

ref: mol2, SDF, SMILES, flexibase
1.52,4.31,-9.03,1,3,0, 162.192, 1

Similar to: 34384138, 25874,
1881708
 
#99

ChemMol: 97900595
eMolecules: 2331040
Molport: MolPort-002-132-291
Active BioPharma: 1310
ChemBridge: 5132215...24 total

ref: mol2, SDF, SMILES, flexibase
-2.21,9.22,-34.5,1,3,1, 249.378, 5

Similar to: 20237,
2380186
 
#100

Molport BB: MolPort-003-945-571
Tetrahedron Building Blocks: TS67939
Tocris: 2321
ChEMBL12: CHEMBL1354145, CHEMBL1711621
ChEMBL19: CHEMBL1711621...15 total

ref: mol2, SDF, SMILES, flexibase
-2.97,8.32,-36.75,1,3,1, 221.324, 3

Similar to: 5782474,

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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 = 190 ) limit 0,100

Smiles were