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14989235
 
#1

ChemMol: 98002528, 1200020, 44027903
AKOS: AKOS015853267
Aldrich CPR: CDS011986|ALDRICH
Angene Building Blocks: AGN-PC-0VSGTI
Anward: ANW-51424...32 total

ref: mol2, SDF, SMILES, flexibase
2.79,5.25,-3.86,0,1,0, 219.053, 2
14989238
 
#2

ChemMol: 44008468, 1200021, 98002567, 1030141
Alfa-Aesar: H63110
Anward: ANW-29759
Apexmol Building Blocks: AM62185
Apollo Scientific: PC4108...40 total

ref: mol2, SDF, SMILES, flexibase
2.49,6.18,-5.27,0,1,0, 214.037, 1
14989241
 
#3

ChemMol: 1200048, 98002632
Chembo Pharma: KB-24052
Chemik Building Blocks: CHB02600
Tetrahedron Building Blocks: TS13600
Alfa Chemistry (Depleted): ACM1076197700...9 total

ref: mol2, SDF, SMILES, flexibase
2.66,5.1,-4.24,0,1,0, 174.602, 2
14989243
 
#4

ChemMol: 98002634, 44024125, 1200050
Molport: MolPort-002-317-182
AKOS: AKOS009311665
Angene Building Blocks: AGN-PC-03IRDM
Apexmol Building Blocks: AM82936...24 total

ref: mol2, SDF, SMILES, flexibase
2.66,5.11,-4.24,0,1,0, 174.602, 2

Similar to: 36750089,
14989246
 
#5

ChemMol: 1200051, 98002635
Molport: MolPort-002-317-183
AK Scientific: W5074
Anward: ANW-46264
Apexmol Building Blocks: AM84236...22 total

ref: mol2, SDF, SMILES, flexibase
2.66,5.14,-6.08,0,1,0, 174.602, 2
2527783
 
#6

ChemMol: 30115022, 1200143, 1031325, 98002404, 44004796
AK Scientific: W4837
Angene Building Blocks: AGN-PC-0L0B0N
Anward: ANW-48211
Apexmol Building Blocks: AM61410...35 total

ref: mol2, SDF, SMILES, flexibase
2.67,6.23,-10.34,0,1,0, 169.586, 1

Similar to: 45627000,
14989249
 
#7

ChemMol: 44024249, 1200160, 98002639
AK Scientific: 3140AC
Anward: ANW-74103
Apollo Scientific: PC8646
Ark Pharm Building Blocks: AK-81784...25 total

ref: mol2, SDF, SMILES, flexibase
2.05,5.03,-11.94,0,2,0, 165.167, 2

Similar to: 43505126,
2567366
 
#8

ChemMol: 1200161, 98002000
AK Scientific: 6831AB
AKOS: AKOS015995315
Anward: ANW-56851
Apollo Scientific: PC0905...25 total

ref: mol2, SDF, SMILES, flexibase
2.03,5.06,-7.54,0,2,0, 165.167, 2
14989253
 
#9

ChemMol: 44008879, 1200162, 98002640
Molport: MolPort-002-317-192
AK Scientific: W7782
Angene Building Blocks: AGN-PC-03Y5CR
Anward: ANW-49942...33 total

ref: mol2, SDF, SMILES, flexibase
2.05,4.99,-8.55,0,2,0, 165.167, 2
14989254
 
#10

ChemMol: 1200164, 98002641
Molport: MolPort-002-317-194
Alfa-Aesar: H30752
Chembo Pharma: KB-193019, KB-23953
Chemik Building Blocks: CHB13700...21 total

ref: mol2, SDF, SMILES, flexibase
2.05,5,-9.27,0,2,0, 165.167, 2

Similar to: 33710049, 39712972,
14989257
 
#11

ChemMol: 1200165, 98002504
AK Scientific: X8396
Ark Pharm Building Blocks: AK135189
Chembo Pharma: KB-222744
Chemik Building Blocks: CHB13800...14 total

ref: mol2, SDF, SMILES, flexibase
2.05,5.1,-8.86,0,2,0, 165.167, 2
14989259
 
#12

ChemMol: 44008880, 98002642, 1200166
Molport: MolPort-002-317-195
AK Scientific: X2657
AKOS: AKOS015911942
Anward: ANW-59239...25 total

ref: mol2, SDF, SMILES, flexibase
3.45,6.88,-8.15,0,1,0, 274.943, 1

Similar to: 39350490,
14989260
 
#13

ChemMol: 44006592, 97802590, 2100872, 30109871, 98002544, 1200189
eMolecules: 11642059
Acorn PharmaTech: ACN-S002756, ACN-S004160
AKOS: AKOS009538207
Alfa-Aesar: H64810...60 total

ref: mol2, SDF, SMILES, flexibase
1.67,5.97,-46.14,0,5,-1, 194.166, 3

Similar to: 34562716,
14989263
 
#14

ChemMol: 1200193, 98002655, 44006544
Molport: MolPort-002-317-196
AK Scientific: W6743
AKOS: AKOS015890293
Aldrich CPR: CDS009093|ALDRICH...45 total

ref: mol2, SDF, SMILES, flexibase
2.78,5.94,-43.55,0,2,-1, 248.483, 2
2567365
 
#15

ChemMol: 1200215, 98001998, 44034258
AK Scientific: V1295
AKOS: AKOS015899469
Angene Building Blocks: AGN-PC-0KKZHN
Anward: ANW-44940...37 total

ref: mol2, SDF, SMILES, flexibase
1.49,4.32,-54.33,0,3,-1, 183.158, 3
14989267
 
#16

ChemMol: 1200243, 98002521
Molport: MolPort-002-317-199
AK Scientific: X8097
AKOS: AKOS015995316
Anward: ANW-52854...21 total

ref: mol2, SDF, SMILES, flexibase
2.15,2.48,-11.09,1,3,0, 206.119, 3
2382252
 
#17

ChemMol: 44009009, 1037344, 1203447, 1200254, 98002153
AK Scientific: X2254
Angene Building Blocks: AGN-PC-025MZ9
Anward: ANW-51459
Apexmol Building Blocks: AM20060803...42 total

ref: mol2, SDF, SMILES, flexibase
3.30,4.58,-7.62,0,2,0, 224.565, 3

Similar to: 34364935,
14989270
 
#18

ChemMol: 1200255, 44028637, 2100605, 98001961, 1037401, 44009010
Molport: MolPort-002-317-201
AK Scientific: X2710
AKOS: AKOS015835437
Angene Building Blocks: AGN-PC-0JTPO8...53 total

ref: mol2, SDF, SMILES, flexibase
2.42,5.29,-4.8,0,4,0, 230.017, 2

Similar to: 32270576,
2383961
 
#19

ChemMol: 1200277, 44008979, 98002291, 1037393, 30109168
AK Scientific: N687
Alfa-Aesar: H57833
Angene Building Blocks: AGN-PC-0KL2C5
Anward: ANW-19487...56 total

ref: mol2, SDF, SMILES, flexibase
2.63,4.88,-5.98,0,1,0, 203.01, 1
2528584
 
#20

ChemMol: 44008980, 1200278, 1037252, 98002412, 30109295
AK Scientific: X3071
Alfa-Aesar: H64042
Alinda Building Blocks: ALBB-005928
Angene Building Blocks: AGN-PC-03IOP1...47 total

ref: mol2, SDF, SMILES, flexibase
2.63,4.9,-5.93,0,1,0, 203.01, 1

Similar to: 34330887, 34433959,
14989274
 
#21

ChemMol: 44008992, 1200308, 98002643, 44500249, 30111351
Molport: MolPort-002-317-203
AK Scientific: X8661
Angene Building Blocks: AGN-PC-0JTCNA
Anward: ANW-51687...38 total

ref: mol2, SDF, SMILES, flexibase
1.34,1.43,-9.91,1,2,0, 140.113, 1
14989277
 
#22

ChemMol: 1034532, 30109268, 98002305, 97806637, 1200359, 44028636, 44015025
AK Scientific: X2752
Angene Building Blocks: AGN-PC-0NJO0U
Anward: ANW-14052
Apexmol Building Blocks: AM20050111...47 total

ref: mol2, SDF, SMILES, flexibase
2.00,3.76,-5.92,2,2,0, 186.136, 1

Similar to: 37078983,
14989280
 
#23

ChemMol: 1200364, 1031379, 98002533, 44016132
Molport: MolPort-002-317-205
AK Scientific: W3280
Anward: ANW-46998
Apexmol Building Blocks: AM84104...36 total

ref: mol2, SDF, SMILES, flexibase
2.72,5.88,-6.41,0,1,0, 151.596, 0
14989282
 
#24

ChemMol: 44008970, 1200371, 98002623
AKOS: AKOS015914392
Apollo Scientific: PC3155
Ark Pharm Building Blocks: AK-63443
Boerchem Pharmatech BB: BC227683...19 total

ref: mol2, SDF, SMILES, flexibase
2.48,6.3,-10.29,0,4,0, 216.118, 2
14989285
 
#25

ChemMol: 1200375, 98002101
Molport: MolPort-002-317-207
AK Scientific: 3204AC
Angene Building Blocks: AGN-PC-0UYXZN
Anward: ANW-58375...21 total

ref: mol2, SDF, SMILES, flexibase
2.43,3.29,-5.75,1,2,0, 147.177, 0
14989287
 
#26

ChemMol: 98002543, 1031366, 44012265, 1200415, 30110092
Acorn PharmaTech: ACN-S004623
AK Scientific: V1606
Aldrich CPR: CDS010530|ALDRICH
Alfa-Aesar: H61939...52 total

ref: mol2, SDF, SMILES, flexibase
2.59,5.55,-4.91,0,1,0, 200.01, 0
14989290
 
#27

ChemMol: 98002561, 1200469, 44004838, 1031350, 30109276
Acorn PharmaTech: ACN-S003819
AK Scientific: X0212
Alfa-Aesar: H34336
Angene Building Blocks: AGN-PC-00OMQ6...45 total

ref: mol2, SDF, SMILES, flexibase
1.27,2.86,-4.9,2,2,0, 136.129, 0
14989292
 
#28

ChemMol: 1200475, 98002592
Molport: MolPort-002-317-209
AK Scientific: X2783
Ark Pharm Building Blocks: AK-33729, AK118762
Bide Pharmatech BB: BD244178...17 total

ref: mol2, SDF, SMILES, flexibase
2.35,5.11,-8.3,0,3,0, 212.13, 2
14989295
 
#29

ChemMol: 44029221, 1200497, 98002613
Molport: MolPort-002-317-213
Scientific Exchange (make on demand): F-359405
AK Scientific: W5999
AKOS: AKOS002391575...38 total

ref: mol2, SDF, SMILES, flexibase
3.51,5.64,-43.42,0,2,-1, 204.032, 1

Similar to: 38416841,
14989297
 
#30

ChemMol: 1200500, 98002630
AK Scientific: Y4651
AKOS: AKOS015967576
Chembo Pharma: KB-100299, KB-145602
Chemik Building Blocks: CHB38351...21 total

ref: mol2, SDF, SMILES, flexibase
2.50,6.77,-7.76,0,3,0, 254.083, 3
6661362
 
#31

ChemMol: 98000390, 44008830, 1200539, 30100416, 1034585
eMolecules: 487561
Scientific Exchange (make on demand): M-982237
Acros Organics: 18846, SB00672
AK Scientific: X2829...110 total

ref: mol2, SDF, SMILES, flexibase
2.74,5.12,-43.37,0,2,-1, 189.112, 2

Similar to: 44224859,
14989299
 
#32

ChemMol: 98002607, 44008838, 1200578, 1031793
Molport: MolPort-002-317-214
AK Scientific: X4486
AKOS: AKOS015853199
Angene Building Blocks: AGN-PC-03NYCF...42 total

ref: mol2, SDF, SMILES, flexibase
2.66,5.06,-44.73,0,2,-1, 265.001, 1
hi: mol2, SDF, SMILES, flexibase
2.38,7.9,-24.73,4,11,0, 633.668, 7
2041164
 
#33

ChemMol: 1200649, 98000111
Molport: MolPort-001-768-889
Acros Organics: 10575, 22027, 40203
Alfa-Aesar: A14107
Amadis Chemical: A845919...189 total

ref: mol2, SDF, SMILES, flexibase
2.39,4.74,-4.4,0,1,0, 140.569, 1

Similar to: 34449105, 34567156, 34617989,
14989302
 
#34

ChemMol: 1200675, 98002598
AKOS: AKOS009157357
Apollo Scientific: PC10443
Chembo Pharma: KB-95927
Chemik Building Blocks: CHB50700...19 total

ref: mol2, SDF, SMILES, flexibase
3.29,5.44,-2.43,0,1,0, 237.455, 1
14989305
 
#35

ChemMol: 1200677, 98002599
AKOS: AKOS009158031
Amadis Chemical: A845288
Apollo Scientific: PC10444
Bosche Scientific: B4268...21 total

ref: mol2, SDF, SMILES, flexibase
3.29,5.43,-4,0,1,0, 237.455, 1
14989307
 
#36

ChemMol: 44008817, 1200679, 98002644
Molport: MolPort-002-317-215
AKOS: AKOS015995330
Apollo Scientific: PC49061
Boerchem Pharmatech BB: BC227423...22 total

ref: mol2, SDF, SMILES, flexibase
3.27,5.48,-6.64,0,1,0, 237.455, 1
14989310
 
#37

ChemMol: 1200680, 98002600, 44029478
AKOS: AKOS015891438
Apollo Scientific: PC10445
Bosche Scientific: N4272
Chembo Pharma: KB-32946...28 total

ref: mol2, SDF, SMILES, flexibase
2.44,5.44,-7.43,0,4,0, 203.556, 2
14989312
 
#38

ChemMol: 1200712
Acorn PharmaTech: ACN-S002437
AKOS: AKOS015994997
Chemik Building Blocks: CHB53951
Collaborative Drug Discovery: 1144513...8 total

ref: mol2, SDF, SMILES, flexibase
4.94,7.56,-3.8,0,2,0, 336.231, 4
14989315
 
#39

ChemMol: 30109261, 44015522, 98002577, 1200797, 1030067
AK Scientific: 5626AC
Anward: ANW-57581
Apexmol Building Blocks: AM62143
APIChem: AC-2335...32 total

ref: mol2, SDF, SMILES, flexibase
1.98,3.15,-47.33,3,1,1, 178.589, 1
2540215
 
#40

ChemMol: 44008780, 1030072, 30110274
Molport: MolPort-002-317-222
Alfa-Aesar: H31883
Angene Building Blocks: AGN-PC-044F3P
Anward: ANW-44434...30 total

ref: mol2, SDF, SMILES, flexibase
2.62,3.94,-54.07,3,1,1, 210.606, 2
14989318
 
#41

ChemMol: 44008787, 2100870, 1200843, 98002469
Molport: MolPort-002-317-223
AK Scientific: X8305
AKOS: AKOS012213256
Ark Pharm Building Blocks: AK-35265...28 total

ref: mol2, SDF, SMILES, flexibase
1.87,3.11,-48.33,3,2,1, 206.187, 4
hi: mol2, SDF, SMILES, flexibase
1.84,5.82,-95.07,7,7,2, 444.461, 4

Similar to: 44249048, 44249065,
2540213
 
#42

ChemMol: 1200879, 44008761, 98002428
Molport: MolPort-002-317-226
AK Scientific: W7011
AKOS: AKOS015850180
Alfa-Aesar: H33376...36 total

ref: mol2, SDF, SMILES, flexibase
2.78,3.46,-3.36,1,1,0, 210.582, 2
14989321
 
#43

ChemMol: 1034270, 98002648, 44008926, 1200980, 2100868, 30110418
Molport: MolPort-002-317-232
AK Scientific: X4555
Alfa-Aesar: H62708
Angene Building Blocks: AGN-PC-0031U5...44 total

ref: mol2, SDF, SMILES, flexibase
2.71,5.55,-11.42,0,1,0, 217.037, 1

Similar to: 34976805, 36180160, 36180166,
1675545
 
#44

ChemMol: 1201010, 98000093, 44001112
eMolecules: 478168
Molport: MolPort-001-777-200
Acros Organics: 14835
AK Scientific: I681...55 total

ref: mol2, SDF, SMILES, flexibase
2.39,5.31,-4.04,0,1,0, 174.121, 2

Similar to: 32141609,
2579822
 
#45

ChemMol: 1201011, 98002207
Molport: MolPort-002-317-234
AK Scientific: 8699AB
AKOS: AKOS010990272
Anward: ANW-58408...21 total

ref: mol2, SDF, SMILES, flexibase
3.02,5.83,-4.99,0,1,0, 208.566, 2

Similar to: 2579841,
2389892
 
#46

ChemMol: 98001143, 96700500, 44024299, 1201014
Molport: MolPort-002-317-235
AK Scientific: 2961AD
AKOS: AKOS012259942
Apexmol Building Blocks: AM20020322...25 total

ref: mol2, SDF, SMILES, flexibase
2.50,5.44,-5.58,0,1,0, 192.111, 2

Similar to: 1540480,
2525756
 
#47

ChemMol: 30109022, 44009034, 1201075, 1036939, 98002374
AK Scientific: X2904
AKOS: AKOS015855574
Angene Building Blocks: AGN-PC-0KL1U6
Apexmol Building Blocks: AM62131...34 total

ref: mol2, SDF, SMILES, flexibase
2.80,3.41,-4.61,2,1,0, 180.009, 0
14989332
 
#48

ChemMol: 98002541, 1036849, 1201110, 96701435, 1036847
Scientific Exchange (make on demand): F-442069
AK Scientific: W8221, W4946
AKOS: AKOS015920221, AKOS010054655
Alinda Building Blocks: ALBB-024699...71 total

ref: mol2, SDF, SMILES, flexibase
2.08,2.81,-4.33,2,2,0, 249.051, 1
2504740
 
#49

ChemMol: 98001735, 1201157
Molport: MolPort-002-317-241
AKOS: AKOS015995334
Anward: ANW-29930
Ark Pharm Building Blocks: AK135509...22 total

ref: mol2, SDF, SMILES, flexibase
4.41,7.02,-3.81,1,2,0, 221.344, 7

Similar to: 5161791, 32256355, 34224873, 34460314, 34541500, ... 6 in total.
14989337
 
#50

ChemMol: 1201178, 44007895, 98002665
Molport: MolPort-002-317-243
Alfa-Aesar: H64009
Angene Building Blocks: AGN-PC-03HNCY
Anward: ANW-29320...36 total

ref: mol2, SDF, SMILES, flexibase
3.35,3.31,-3.52,1,1,0, 241.006, 1
14989339
 
#51

ChemMol: 1201211
AKOS: AKOS015995327
Chemik Building Blocks: CHB85561
Collaborative Drug Discovery: 1144926
PubChem: 26343936...5 total

ref: mol2, SDF, SMILES, flexibase
-3.94,-1.8,-102.61,4,8,-2, 380.403, 4
14989342
 
#52

ChemMol: 1201213, 98002480
AKOS: AKOS015995328
Chembo Pharma: KB-167192
Chemik Building Blocks: CHB85581
Tetrahedron Building Blocks: TS60973...11 total

ref: mol2, SDF, SMILES, flexibase
3.84,6.42,-10.08,2,2,0, 312.113, 2
14989345
 
#53

ChemMol: 1201224, 44000364
AKOS: AKOS015995331
Boerchem Pharmatech BB: BC200543
Chemik Building Blocks: CHB85691
Collaborative Drug Discovery: 1144935...56 total

ref: mol2, SDF, SMILES, flexibase
1.52,0.85,-33.65,0,1,-1, 167.028, 2

Similar to: 39260469,
14989347
 
#54

ChemMol: 1201224, 44000364
AKOS: AKOS015995331
Boerchem Pharmatech BB: BC200543
Chemik Building Blocks: CHB85691
Collaborative Drug Discovery: 1144935...57 total

ref: mol2, SDF, SMILES, flexibase
1.52,0.87,-36.5,0,1,-1, 167.028, 2

Similar to: 39260469,
14989350
 
#55

ChemMol: 1201239
AKOS: AKOS015995333
Chemik Building Blocks: CHB85841
Collaborative Drug Discovery: 1144945
PubChem: 19879864...9 total

ref: mol2, SDF, SMILES, flexibase
2.46,4.54,-39.48,1,3,-1, 227.22, 4
14989352
 
#56

ChemMol: 1201255, 98002646
AKOS: AKOS015995325
Chemik Building Blocks: CHB86000
Aromsyn BB (Depleted): 3715
Collaborative Drug Discovery: 1144959...7 total

ref: mol2, SDF, SMILES, flexibase
3.04,6.22,-8.82,0,3,0, 209.632, 3
14989354
 
#57

ChemMol: 98002649, 44024213, 1201263
Molport: MolPort-002-317-255
AK Scientific: X0353
Angene Building Blocks: AGN-PC-01NBX5
Anward: ANW-46919...34 total

ref: mol2, SDF, SMILES, flexibase
1.96,5.58,-8.51,0,3,0, 179.15, 2
14989357
 
#58

ChemMol: 98002465, 44028657, 96705701, 1201264
Molport: MolPort-002-317-256
AK Scientific: Z0841
AKOS: AKOS015835502
Alfa-Aesar: H52323...36 total

ref: mol2, SDF, SMILES, flexibase
2.76,5.91,-5.66,0,2,0, 251.026, 2

Similar to: 44200116, 44200126, 44201006, 44201008, ... 4 in total.
14989360
 
#59

ChemMol: 98002650, 1201270, 44015164
Molport: MolPort-002-317-257
AK Scientific: X2853
AKOS: AKOS015911880
Apexmol Building Blocks: AM84184...24 total

ref: mol2, SDF, SMILES, flexibase
2.89,6.57,-10.76,0,5,0, 249.144, 4
14989363
 
#60

ChemMol: 1035353, 30110192, 1201273, 98002651, 44010034
Molport: MolPort-002-317-259
AK Scientific: X3197
AKOS: AKOS005063666
Aldrich CPR: L510971|ALDRICH...56 total

ref: mol2, SDF, SMILES, flexibase
1.96,3.35,-4.56,2,3,0, 187.145, 2
14989366
 
#61

ChemMol: 44010025, 1201281, 98002559, 1035343, 30110196
AK Scientific: V1251
Angene Building Blocks: AGN-PC-01MOW0
Anward: ANW-19847
Apexmol Building Blocks: AM84009...44 total

ref: mol2, SDF, SMILES, flexibase
2.51,3.86,-3.98,2,3,0, 230.061, 2
8698093
 
#62

ChemMol: 1201319, 51500585, 97800335, 1032917, 30105539, 44004668, 83603663
eMolecules: 486953, 1971745
Molport: MolPort-002-472-934
AK Scientific: L277
AKOS: AKOS001736337...97 total

ref: mol2, SDF, SMILES, flexibase
0.27,2.15,-29.38,1,5,0, 140.098, 1
hi: mol2, SDF, SMILES, flexibase
0.73,1.06,-44.72,0,5,-1, 139.09, 1
8698095
 
#63

ChemMol: 96705375, 97800453, 30102183, 1201327, 44002499
eMolecules: 33451261
Molport: MolPort-003-929-303
Acorn PharmaTech: ACN-S003191
Acros Organics: 31957...73 total

ref: mol2, SDF, SMILES, flexibase
0.87,2.58,-11.06,1,5,0, 154.125, 1
hi: mol2, SDF, SMILES, flexibase
1.32,1.45,-31.25,0,5,-1, 153.117, 1
8737707
 
#64

ChemMol: 97806486, 1201363, 44008656, 96703550
eMolecules: 969449, 521835
Molport: MolPort-001-779-837
Acros Organics: 12184
ACT Chemical BB: ACT08592...258 total

ref: mol2, SDF, SMILES, flexibase
0.36,1.39,-12.19,1,2,0, 95.101, 0
13515858
 
#65

eMolecules: 479284
Molport: MolPort-001-759-198
Scientific Exchange (make on demand): Z-029389
Acros Organics: 34883
Aldrich CPR: T161470|ALDRICH...66 total

ref: mol2, SDF, SMILES, flexibase
-0.34,2.03,-9.02,0,2,0, 95.101, 0
14989372
 
#66

ChemMol: 1201388, 30112867, 97805275
Molport: MolPort-002-317-266
Acorn PharmaTech: ACN-S001582
ACT Chemical BB: ACT07897
AK Scientific: V1778...37 total

ref: mol2, SDF, SMILES, flexibase
1.19,0.53,-6.51,1,2,0, 188.024, 1
lo: mol2, SDF, SMILES, flexibase
1.19,0.81,-29.44,2,2,1, 189.032, 1

Similar to: 34361385,
14989375
 
#67

ChemMol: 1201417
AKOS: AKOS015995340
Chemik Building Blocks: CHH06400
Collaborative Drug Discovery: 950789
PubChem: 26343968...7 total

ref: mol2, SDF, SMILES, flexibase
0.43,2.86,-10.07,0,3,0, 128.175, 0

Similar to: 34330529, 34330530, 34448313, 34616745, 34616746, ... 7 in total.
14989378
 
#68

ChemMol: 1201417
AKOS: AKOS015995340
Chemik Building Blocks: CHH06400
Collaborative Drug Discovery: 950789
PubChem: 26343972...7 total

ref: mol2, SDF, SMILES, flexibase
0.43,2.84,-10.43,0,3,0, 128.175, 0

Similar to: 34330529, 34330530, 34448313, 34616745, 34616746, ... 7 in total.
14989381
 
#69

ChemMol: 1201429, 44005214
Molport: MolPort-002-317-270
AKOS: AKOS015852162
Angene Building Blocks: AGN-PC-0NDA3H
Anward: ANW-51290...36 total

ref: mol2, SDF, SMILES, flexibase
2.41,3.55,-8.44,1,7,0, 275.264, 5
14989387
 
#70

ChemMol: 1201464, 30113471, 44004908
eMolecules: 2721393
Molport: MolPort-002-724-161
AK Scientific: L816
Anward: ANW-51024...50 total

ref: mol2, SDF, SMILES, flexibase
0.14,1.19,-32.86,0,4,-1, 131.546, 2

Similar to: 1235061,
14989389
 
#71

ChemMol: 1201494
Molport: MolPort-002-317-277
ACT Chemical BB: ACT10554
AK Scientific: Y5413
Chembo Pharma: KB-38848...20 total

ref: mol2, SDF, SMILES, flexibase
2.36,5.04,-5.71,0,1,0, 147.152, 0
14989392
 
#72

ChemMol: 1201512
AKOS: AKOS015995341
Chemik Building Blocks: CHH19000
Collaborative Drug Discovery: 1145123
SureChEMBL: SCHEMBL362288...5 total

ref: mol2, SDF, SMILES, flexibase
-4.05,-1.51,-31.7,4,7,1, 179.163, 1
lo: mol2, SDF, SMILES, flexibase
-4.05,-1.27,-96.16,5,7,2, 180.171, 1
14989395
 
#73

ChemMol: 1201514
AKOS: AKOS015995343
Chemik Building Blocks: CHH19200
Collaborative Drug Discovery: 1145124
Leadscope via PubChem: LS-187733...10 total

ref: mol2, SDF, SMILES, flexibase
8.09,20.32,-62.04,4,7,2, 515.58, 0

Similar to: 39239624, 39244895, 39976231,
14989398
 
#74

ChemMol: 30115657, 83600434, 98001954, 1203501
eMolecules: 11466118, 569524
ACB Blocks: APY-0014
AK Scientific: V4092
AKOS: AKOS000181036...75 total

ref: mol2, SDF, SMILES, flexibase
1.66,2.65,-7.84,3,4,0, 189.218, 2
ref: mol2, SDF, SMILES, flexibase
1.34,3.21,-35.84,3,4,1, 190.226, 2
mid: mol2, SDF, SMILES, flexibase
1.66,2.77,-30.33,4,4,1, 190.226, 2
mid: mol2, SDF, SMILES, flexibase
1.66,2.63,-7.22,3,4,0, 189.218, 2

Similar to: 3676607,
14989399
 
#75

ChemMol: 1201529
AKOS: AKOS015995345
Apexmol Building Blocks: AM20100503
Chemik Building Blocks: CHH20700
Collaborative Drug Discovery: 954857...9 total

ref: mol2, SDF, SMILES, flexibase
0.12,3.42,-13.78,2,4,0, 178.22, 2
mid: mol2, SDF, SMILES, flexibase
0.12,4.12,-32.39,3,4,1, 179.228, 2
mid: mol2, SDF, SMILES, flexibase
0.12,4.51,-94.52,4,4,2, 180.236, 2
14989402
 
#76

ChemMol: 1201533, 44034242
Molport: MolPort-002-317-288
Anward: ANW-57728
Ark Pharm Building Blocks: AK-51547
BePharm Building Blocks: B215192...23 total

ref: mol2, SDF, SMILES, flexibase
2.74,7.23,-6.13,0,1,0, 157.216, 0

Similar to: 39259052, 39296380, 39296381,
14989404
 
#77

ChemMol: 1201549
AKOS: AKOS015995337
Chemik Building Blocks: CHO0015
Collaborative Drug Discovery: 1145141
PubChem: 11228909...9 total

ref: mol2, SDF, SMILES, flexibase
1.77,3.21,-4.23,0,2,0, 152.975, 2
14989407
 
#78

ChemMol: 1201566
Molport: MolPort-002-317-301
AK Scientific: R374
Alfa-Aesar: B21250
Chemik Building Blocks: CHO0032...25 total

ref: mol2, SDF, SMILES, flexibase
-0.55,0.96,-6,4,4,0, 116.149, 2
14989422
 
#79

ChemMol: 1201650
AKOS: AKOS015995335
Chemik Building Blocks: CHH21300
Collaborative Drug Discovery: 1145195
PubChem: 44782647...7 total

ref: mol2, SDF, SMILES, flexibase
-0.02,-0.38,-43.04,4,5,1, 218.273, 4
14989425
 
#80

ChemMol: 1201650
AKOS: AKOS015995335
Chemik Building Blocks: CHH21300
Collaborative Drug Discovery: 1145195
PubChem: 26344026...7 total

ref: mol2, SDF, SMILES, flexibase
-0.02,-0.11,-39.84,4,5,1, 218.273, 4
8698105
 
#81

ChemMol: 30110738, 1201652, 97802052, 44001774, 51500633, 42306991
Acorn PharmaTech: ACN-S003396
AK Scientific: N319
AKOS: AKOS005145873
Aldrich CPR: CDS019950|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
0.48,1.45,-16.2,1,2,0, 113.091, 0
14989428
 
#82

ChemMol: 98002551, 1035322, 44010041, 1201653
Molport: MolPort-002-317-323
AK Scientific: W7884
Aldrich CPR: CDS010630|ALDRICH
Angene Building Blocks: AGN-PC-02C3QW...40 total

ref: mol2, SDF, SMILES, flexibase
0.98,2.09,-49.83,1,3,-1, 169.131, 2

Similar to: 34369875, 41661820,
12471465
 
#83

ChemMol: 44027817, 97801510, 30115329, 1201663, 1032905
eMolecules: 921157
Molport: MolPort-000-874-231
AK Scientific: W4330
AKOS: AKOS000164099...86 total

ref: mol2, SDF, SMILES, flexibase
0.07,1.8,-20.49,1,3,0, 120.111, 0
hi: mol2, SDF, SMILES, flexibase
0.53,0.67,-38.76,0,3,-1, 119.103, 0

Similar to: 43224388, 1733152,
2524482
 
#84

ChemMol: 96709038, 1033578, 1201681, 30105289, 1033865, 98002361, 44004519, 1032275
Acorn PharmaTech: ACN-S003492
AK Scientific: Q624
Angene Building Blocks: AGN-PC-0NI01I
Anward: ANW-30103...49 total

ref: mol2, SDF, SMILES, flexibase
2.60,2.35,-5.41,1,1,0, 190.999, 0
8581558
 
#85

ChemMol: 42306995, 30108604, 44000838, 1033155, 1201686, 97801126, 44004669
eMolecules: 719626
Molport: MolPort-001-765-150, MolPort-000-004-370
Acorn PharmaTech: ACN-S001529
Acros Organics: 37946...116 total

ref: mol2, SDF, SMILES, flexibase
0.08,3.83,-28.4,1,5,0, 140.098, 1
hi: mol2, SDF, SMILES, flexibase
0.53,2.29,-37.53,0,5,-1, 139.09, 1
lo: mol2, SDF, SMILES, flexibase
0.53,1.71,-45.64,2,5,1, 141.106, 1
14989434
 
#86

ChemMol: 1201725
Chembo Pharma: KB-188071
Chemik Building Blocks: CHH06031
Chemstep: 19000
Molport BB: MolPort-008-427-456...11 total

ref: mol2, SDF, SMILES, flexibase
0.65,3.82,-22.53,1,2,0, 140.211, 0
hi: mol2, SDF, SMILES, flexibase
1.38,3.48,-50.58,0,2,-1, 139.203, 0

Similar to: 34331204,
2567286
 
#87

ChemMol: 83600772, 1201745
Molport: MolPort-002-317-332
AK Scientific: Y5464
Aldrich CPR: CDS000093|ALDRICH
Anward: ANW-31965...37 total

ref: mol2, SDF, SMILES, flexibase
1.66,0.92,-6.18,1,2,0, 178.018, 1

Similar to: 35882031, 35882033, 38293012,
8576188
 
#88

Chemical Block: A3974/0169346
Chemik Building Blocks: CHH00811
Combi-Blocks: CA-4054
Florida Heterocyclic Compounds: 33372
Fluorochem: 009265...10 total

ref: mol2, SDF, SMILES, flexibase
0.40,-1.79,-45.89,1,4,-1, 138.102, 1
14989440
 
#89

ChemMol: 1201787
Anward: ANW-72598
Ark Pharm Building Blocks: AK-32985
BePharm Building Blocks: B31629
Chembo Pharma: KB-20058...18 total

ref: mol2, SDF, SMILES, flexibase
0.21,3.16,-6.16,2,3,0, 143.577, 1
14989444
 
#90

ChemMol: 1201796
Chembo Pharma: KB-147536
Chemik Building Blocks: CHO0114, CHH01021
Tetrahedron Building Blocks: TS43250
Collaborative Drug Discovery: 1145301...10 total

ref: mol2, SDF, SMILES, flexibase
0.24,-0.64,-6.37,2,3,0, 167.208, 3
lo: mol2, SDF, SMILES, flexibase
0.24,-0.38,-32.72,3,3,1, 168.216, 3

Similar to: 39050351, 39050353,
14989447
 
#91

ChemMol: 1201796
Chembo Pharma: KB-147536
Chemik Building Blocks: CHO0114, CHH01021
Tetrahedron Building Blocks: TS43250
Collaborative Drug Discovery: 1145301...10 total

ref: mol2, SDF, SMILES, flexibase
0.24,-0.89,-5.94,2,3,0, 167.208, 3
lo: mol2, SDF, SMILES, flexibase
0.24,-0.53,-33.5,3,3,1, 168.216, 3

Similar to: 39050351, 39050353,
14989449
 
#92

ChemMol: 30115663, 97805841, 1201817, 2100881
Molport: MolPort-002-317-348
AK Scientific: Y5680
Anward: ANW-40330
APIChem: AC-23008...33 total

ref: mol2, SDF, SMILES, flexibase
1.45,2.46,-3.8,0,2,0, 176.976, 0
14989452
 
#93

ChemMol: 30108764, 1201839, 98002100, 1032000, 44006718
eMolecules: 10960587
Molport: MolPort-002-317-352
AK Scientific: H338
AKOS: AKOS005146256...48 total

ref: mol2, SDF, SMILES, flexibase
2.97,5.73,-47.42,0,2,-1, 261.038, 1

Similar to: 5724459,
14989455
 
#94

ChemMol: 1201851, 98002686
Chembo Pharma: KB-166044
Chemik Building Blocks: CHB00411
Tetrahedron Building Blocks: TS48692
Aromsyn BB (Depleted): 3762...9 total

ref: mol2, SDF, SMILES, flexibase
3.32,6.14,-4.27,0,1,0, 184.666, 2

Similar to: 32203061, 32220769, 34618095,
14989459
 
#95

ChemMol: 1201852, 98002687
AKOS: AKOS015995346
Chembo Pharma: KB-166043
Chemik Building Blocks: CHB00421
Tetrahedron Building Blocks: TS52802...9 total

ref: mol2, SDF, SMILES, flexibase
3.45,6.25,-4.03,0,1,0, 229.117, 2
14989461
 
#96

ChemMol: 1201875, 98002688
AKOS: AKOS015995354
Chemik Building Blocks: CHB86491
Aromsyn BB (Depleted): 3764
Collaborative Drug Discovery: 1145360...7 total

ref: mol2, SDF, SMILES, flexibase
3.37,4.75,-2.11,0,1,0, 252.076, 1
14989464
 
#97

ChemMol: 44003196, 30103379, 98002320, 1201887, 97802077, 1035486
Acorn PharmaTech: ACN-S004468
AKOS: AKOS005145653
Aldrich CPR: CDS003854|ALDRICH
Alfa-Aesar: H63173...52 total

ref: mol2, SDF, SMILES, flexibase
2.41,5.82,-10.19,0,3,0, 155.128, 1

Similar to: 34427549,
161699
 
#98

ChemMol: 44010165, 98000154, 1200003
Acros Organics: 29417
AK Scientific: K468
Angene Building Blocks: AGN-PC-0A2NJW
Anward: ANW-37578...77 total

ref: mol2, SDF, SMILES, flexibase
2.57,1.27,-4.06,0,1,0, 156.612, 2

Similar to: 34343529, 39248385, 40174791,
1559804
 
#99

ChemMol: 44001210, 98000150, 1030099, 1200004
eMolecules: 488455
Molport: MolPort-000-871-662
Acros Organics: 19786
AK Scientific: N965...56 total

ref: mol2, SDF, SMILES, flexibase
2.55,1.27,-4.22,0,1,0, 156.612, 2

Similar to: 21790646, 34592433,
12359110
 
#100

ChemMol: 98001997, 1030159, 1200017
Alfa-Aesar: H25957
Apollo Scientific: PC2832
Ark Pharm Building Blocks: AK113238
BePharm Building Blocks: B34675...27 total

ref: mol2, SDF, SMILES, flexibase
2.79,1.47,-3.87,0,1,0, 219.053, 2

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 252 ) limit 0,100

Smiles were