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36377938
 
#1

AKOS BB (make-on-demand): AKOS015889961
PubChem: 51066513, 51722877, 58980681
SMDC Iconix: 285660
SureChEMBL: SCHEMBL14378722
ref: mol2, SDF, SMILES, flexibase
1.45,5.78,-13.02,2,10,0, 531.602, 10
36377939
 
#2

AKOS BB (make-on-demand): AKOS015889961
PubChem: 51066513, 51722878, 58980681
SMDC Iconix: 285660
ref: mol2, SDF, SMILES, flexibase
1.45,5.69,-15.21,2,10,0, 531.602, 10
mid: mol2, SDF, SMILES, flexibase
1.45,8.02,-44.8,3,10,1, 532.61, 10

Similar to: 1842526, 15267534, 15267537, 15267539, 15657761, ... 9 in total.
13782937
 
#3

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.
1530818
 
#4

Scientific Exchange (make on demand): F-441546
TCM Database @ Taiwan: tcm03_000830
AK Scientific: W6563
AKOS: AKOS015907666
Alfa-Aesar: 15856...104 total

ref: mol2, SDF, SMILES, flexibase
6.01,12,-9.02,0,0,0, 252.316, 0

Similar to: 1693568, 1758808,
21986263
 
#5

ChemMol: 44004408, 30105089
Boerchem Pharmatech BB: BC209911
AKOS BB (make-on-demand): AKOS015962195
APIChem (Depleted): AC-16069
ChEMBL19: CHEMBL364394...11 total

ref: mol2, SDF, SMILES, flexibase
4.13,3.8,-19.49,4,9,0, 505.637, 12

Similar to: 34026209, 34026210, 44135764,
3809192
 
#6

ChemMol: 30105089, 44004408
eMolecules: 877446
AKOS: AKOS000280844
American Custom Chemicals Corp.: API0001480
Apexmol Building Blocks: AM84544...98 total

ref: mol2, SDF, SMILES, flexibase
4.13,4.23,-14.86,4,9,0, 505.637, 12

Similar to: 3950601, 3950602, 3950603, 3951744, 3966589, ... 10 in total.
1570230
 
#7

AK Scientific: Z3627
Chembo Pharma: KB-47630
Element Store BB: b2star-205440-82-0, b2star-192-97-2
Sigma Aldrich (Building Blocks): 616664|ALDRICH, B10102|ALDRICH, 442475|SUPELCO
Tetrahedron Building Blocks: TS01880...31 total

ref: mol2, SDF, SMILES, flexibase
5.99,11.82,-9.54,0,0,0, 252.316, 0
1530856
 
#8

ChemMol: 30102214
AK Scientific: H801
AKOS: AKOS004120070
APIChem: AC-12456
Bachem: Q-1020...104 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.19,-10.22,3,4,0, 232.283, 2

Similar to: 3642235, 5923953, 5954857, 28767186, 28767188, ... 8 in total.
1530855
 
#9

ChemMol: 30102214
AK Scientific: H801
AKOS: AKOS004120070
APIChem: AC-12456
Bachem: Q-1020...100 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.15,-10.17,3,4,0, 232.283, 2

Similar to: 1530856, 3642235, 5923953, 5954857, 39270288, ... 6 in total.
3875481
 
#10

ChemMol: 30106823, 2100084
Molport: MolPort-002-937-437, MolPort-002-529-154, MolPort-002-507-467, MolPort-023-221-358
AKOS: AKOS005386450
American Custom Chemicals Corp.: API0004486
APIChem: AC-18909...170 total

ref: mol2, SDF, SMILES, flexibase
2.56,5.61,-17.63,2,6,0, 434.504, 2

Similar to: 3882040, 3882041, 3882042, 3977908, 3977909, ... 42 in total.
19418974
 
#11

ChemMol: 97900429, 30107877, 80101203
Molport: MolPort-001-728-166
Scientific Exchange (make on demand): F-393778
TCM Database @ Taiwan: 42946, tcm03_006148
Active BioPharma: 904...168 total

ref: mol2, SDF, SMILES, flexibase
2.82,5.92,-13.73,0,8,0, 413.426, 4

Similar to: 31543965, 39036165, 4098220,
584092
 
#12

ChemMol: 30109962, 97301161
AKOS: AKOS005107777
Alinda Building Blocks: ALBB-028958
Anward: ANW-41658
APIChem: AC-4227...134 total

ref: mol2, SDF, SMILES, flexibase
5.54,11.71,-10.11,0,4,0, 360.837, 7

Similar to: 26895588, 33754608, 33754609, 33754611, 33754613, ... 8 in total.
2570895
 
#13

ChemMol: 30101980, 2001102, 96708140, 44002338, 97900771
eMolecules: 901601
ACT Chemical BB: ACT02648
Active BioPharma: 1607
AKOS: AKOS015842517...265 total

ref: mol2, SDF, SMILES, flexibase
3.61,5.33,-11.94,2,5,0, 381.379, 4

Similar to: 3948753, 34232022, 34232689, 34340813, 34341012, ... 30 in total.
8294962
 
#14

ChemMol: 98000652, 1201694
eMolecules: 493827
Molport: MolPort-001-766-737, MolPort-001-794-555, MolPort-003-939-052
TCM Database @ Taiwan: 31373
Acros Organics: 41748...337 total

ref: mol2, SDF, SMILES, flexibase
0.09,0.24,-3.12,4,2,0, 108.144, 0
4097305
 
#15

ChemMol: 30109772
AK Scientific: Q834
American Custom Chemicals Corp.: API0002727
APIChem: AC-3514
Bosche Scientific: F5695...87 total

ref: mol2, SDF, SMILES, flexibase
2.59,5.98,-18.64,2,6,0, 434.504, 2

Similar to: 4097306, 5727806, 5727807, 5727821, 5727822, ... 18 in total.
4097308
 
#16

ChemMol: 44008308
AK Scientific: R212
American Custom Chemicals Corp.: API0002741
BioSynth: W-108052
Boerchem Pharmatech BB: BC226401...47 total

ref: mol2, SDF, SMILES, flexibase
2.61,5.73,-16.91,2,6,0, 436.52, 2

Similar to: 8035285, 8602519, 8602521, 8606261, 8606262, ... 20 in total.
3814395
 
#17

ChemMol: 2100050
AK Scientific: H078
American Custom Chemicals Corp.: API0003163
Bosche Scientific: N3739, L5077
Cayman Chemical: 10006318...140 total

ref: mol2, SDF, SMILES, flexibase
3.56,8.77,-8.33,1,2,0, 312.453, 1

Similar to: 5736162, 5736163, 5752387, 31771440, 31771441, ... 7 in total.
8558
 
#18

ChemMol: 30111828, 44016352
eMolecules: 533767
Molport: MolPort-002-499-717
APIChem: AC-6718
Ark Pharm Building Blocks: AK-64126...43 total

ref: mol2, SDF, SMILES, flexibase
1.43,1.67,-13.39,3,4,0, 212.208, 0
1083
 
#19

ChemMol: 30114292, 97900680
TCM Database @ Taiwan: 34403, tcm03_006768
Active BioPharma: 1461
AK Scientific: I793
American Custom Chemicals Corp.: API0001807...60 total

ref: mol2, SDF, SMILES, flexibase
3.36,6.23,-10.48,2,4,0, 284.311, 6

Similar to: 7996909,
1078595
 
#20

eMolecules: 27253241
Molport: MolPort-002-726-680
AK Scientific: 7801AB
AKOS: AKOS015833067, AKOS005618016
American Custom Chemicals Corp.: CHM0027703...56 total

ref: mol2, SDF, SMILES, flexibase
-2.30,-9.02,-17.18,4,9,0, 245.191, 2
hi: mol2, SDF, SMILES, flexibase
-1.84,-11.7,-53.51,3,9,-1, 244.183, 2

Similar to: 4342821, 4342824, 4342826, 6526082, 6526083, ... 14 in total.
1530668
 
#21

Element Store BB: b2star-71-81-8
Labotest: LT00772055
Labotest Building Blocks: LT00772055
MicroSource Pharmakon: 01500356
MicroSource US Drugs: 01500356...74 total

ref: mol2, SDF, SMILES, flexibase
0.11,10,-37.7,2,3,1, 353.53, 8

Similar to: 1707020, 1718667,
1590
 
#22

ChemMol: 44002528
eMolecules: 523728
Scientific Exchange (make on demand): Q-049151
Acros Organics: 12260
AKOS: AKOS000119062...230 total

ref: mol2, SDF, SMILES, flexibase
-0.97,-0.4,-10.32,3,4,0, 137.142, 1
3008650
 
#23

Molport: MolPort-000-917-976
AKOS: AKOS000577095
Alfa-Aesar: L17271
Ark Pharm Building Blocks: AK146901
Chembo Pharma: KB-64790...27 total

ref: mol2, SDF, SMILES, flexibase
3.14,-0.57,-10.02,2,3,0, 238.29, 0

Similar to: 34333676,
13540519
 
#24

ChemMol: 83600281, 44033150, 30102582
Acros Organics: 35245
AKOS: AKOS001582651
Alfa-Aesar: A16292
American Custom Chemicals Corp.: API0005043...320 total

ref: mol2, SDF, SMILES, flexibase
1.62,3.13,-14.6,3,5,0, 362.466, 2
1688939
 
#25

eMolecules: 478714
Molport: MolPort-000-917-892
AKOS: AKOS001108082
Anward: ANW-34926
Ark Pharm Building Blocks: AK-81730...45 total

ref: mol2, SDF, SMILES, flexibase
0.64,1.71,-8.42,1,3,0, 155.197, 1

Similar to: 3631473, 3634842, 5762106, 5923322, 5932981, ... 8 in total.
3812841
 
#26

ChemMol: 30102048, 97602700, 44002393, 80101350, 30103502
eMolecules: 591670
Molport: MolPort-023-220-339
AK Scientific: K287
AKOS: AKOS005267139...236 total

ref: mol2, SDF, SMILES, flexibase
4.35,11.28,-12.84,1,5,0, 404.547, 7

Similar to: 3925241, 3984042, 3990542, 3990543, 3996028, ... 47 in total.
4213474
 
#27

ChemMol: 30108739, 30106819, 44005571, 44008316
AK Scientific: P753
American Custom Chemicals Corp.: API0002881
APIChem: AC-1114, AC-1774
BioSynth: Q-201180...53 total

ref: mol2, SDF, SMILES, flexibase
3.14,8.53,-14.05,1,5,0, 454.966, 2

Similar to: 8035291, 11616221, 11616222, 11616223, 11616224, ... 16 in total.
621853
 
#28

ChemMol: 30107816, 97900408, 44006126, 1203004
Molport: MolPort-001-785-612
Scientific Exchange (make on demand): F-137685
TCM Database @ Taiwan: tcm03_001555
Acros Organics: 22712...190 total

ref: mol2, SDF, SMILES, flexibase
1.10,7.99,-20.74,1,7,0, 399.443, 5

Similar to: 4212843, 5167375, 5768089, 31474812, ... 6 in total.
19632633
 
#29

ChemMol: 30106749
AKOS: AKOS005166822
American Custom Chemicals Corp.: API0009080, API0004151
APIChem: AC-18759
BePharm Building Blocks: B151001...142 total

ref: mol2, SDF, SMILES, flexibase
2.64,6.48,-3.01,0,1,0, 187.286, 4

Similar to: 22056030, 34873319, 34873320,
3874951
 
#30

MicroSource Pharmakon: 01503422
MicroSource US Drugs: 01503422
NCI Plated 2007: 95441
Sigma Aldrich (Building Blocks): S4026|SIGMA
Tetrahedron Building Blocks: TS62504...38 total

ref: mol2, SDF, SMILES, flexibase
2.74,4.71,-3.89,1,5,0, 247.726, 4

Similar to: 5085344, 31561689,
601254
 
#31

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
 
#32

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,
968303
 
#33

ChemMol: 44005422, 30106568, 97804518
Acorn PharmaTech: ACN-S001252
AK Scientific: H835
Alfa-Aesar: L06841
Angene Building Blocks: AGN-PC-00GJ1J...240 total

ref: mol2, SDF, SMILES, flexibase
3.70,5.68,-3.07,1,1,0, 178.275, 2

Similar to: 3630765, 5761672,
157165
 
#34

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,
1081061
 
#35

TCM Database @ Taiwan: tcm03_006883
BOC Sciences BB: 17617-45-7
Tetrahedron Building Blocks: TS58278
Individual Suppliers: Picrotoxinin
Leadscope via PubChem: LS-187685...11 total

ref: mol2, SDF, SMILES, flexibase
-1.21,-1.22,-15.29,1,6,0, 292.287, 1

Similar to: 7997795, 17027441,
2386759
 
#36

ChemMol: 51504835
AK Scientific: Y1192
Ark Pharm Building Blocks: AK131255
Chembo Pharma: KB-02478
Fluorochem: 325877...25 total

ref: mol2, SDF, SMILES, flexibase
2.48,5.59,-9.72,0,3,0, 249.335, 3

Similar to: 7996793,
3798064
 
#37

ChemMol: 44003842, 30104245
AKOS: AKOS015892544
American Custom Chemicals Corp.: TAB0000499
Angene Building Blocks: AGN-PC-0OAD3Q
APIChem: AC-7591...81 total

ref: mol2, SDF, SMILES, flexibase
0.10,-2.49,-11.31,4,8,0, 285.691, 2

Similar to: 11616248, 11616249, 38602736,
3861806
 
#38

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.
19594594
 
#39

ChemMol: 44026925, 30104666
APIChem: AC-2094
BioSynth: Q-100732
Boerchem Pharmatech BB: BC209186
Bosche Scientific: P3162...87 total

ref: mol2, SDF, SMILES, flexibase
3.64,5.8,-5.3,0,4,0, 293.407, 9

Similar to: 31977511, 31977512, 31977549,
896569
 
#40

ChemMol: 80101468, 30100984
eMolecules: 539058
Scientific Exchange (make on demand): POD_84/0364
AKOS: AKOS000121373
Alfa-Aesar: B22093...185 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-5.31,-19.65,4,7,0, 297.745, 1
169811
 
#41

ChemMol: 44033544, 30113727
eMolecules: 479184
Molport: MolPort-000-869-192
Acros Organics: 15225
AKOS: AKOS000268328...98 total

ref: mol2, SDF, SMILES, flexibase
1.59,7.76,-7.27,0,2,0, 158.204, 2
mid: mol2, SDF, SMILES, flexibase
1.59,8.27,-32.69,1,2,1, 159.212, 2

Similar to: 33794947, 34349061, 36466526, 39378571, ... 4 in total.
1728
 
#42

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
3876023
 
#43

ChemMol: 30105167
AK Scientific: I036
American Custom Chemicals Corp.: CHM0029916, CHM0029913
APIChem: AC-16170
Ark Pharm Building Blocks: AK129080...57 total

ref: mol2, SDF, SMILES, flexibase
4.82,13.58,-12.82,0,4,0, 384.516, 4

Similar to: 4216909, 5166624, 7997643, 11616209, 11616210, ... 10 in total.
18203737
 
#44

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.
1979
 
#45

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,
3813010
 
#46

ChemMol: 30101393, 30105344, 44001842
eMolecules: 511917
Acros Organics: 22760
Alfa-Aesar: L16497
American Custom Chemicals Corp.: HCH0027857...132 total

ref: mol2, SDF, SMILES, flexibase
-1.72,-4.38,-16.24,3,7,0, 246.194, 2
hi: mol2, SDF, SMILES, flexibase
-1.26,-7.12,-54.96,2,7,-1, 245.186, 2

Similar to: 3977743, 3977744, 4045293, 6523987, 6524146, ... 12 in total.
1530755
 
#47

eMolecules: 593939
AKOS: AKOS001740866
Apollo Scientific Bioactives: BISC1044
BioBlocks: A2230/0093886
BioBlocks BB: ZERO/001429...103 total

ref: mol2, SDF, SMILES, flexibase
9.46,15.79,-5.38,2,2,0, 516.857, 8
602
 
#48

ChemMol: 44016492
Scientific Exchange (make on demand): Z-077727
Acros Organics: 21659
AKOS: AKOS000370201
Alfa-Aesar: A11200...122 total

ref: mol2, SDF, SMILES, flexibase
1.59,3.6,-9.37,1,3,0, 179.219, 3

Similar to: 43465143,
3874884
 
#49

eMolecules: 730748
Molport: MolPort-016-633-338
Anward: ANW-42641
Molport BB: MolPort-001-794-641, MolPort-016-633-338
TimTec Building Blocks: SBB006465...22 total

ref: mol2, SDF, SMILES, flexibase
3.59,8.73,-11.84,0,6,0, 394.423, 3

Similar to: 3978464, 3978465, 3978466, 3978467, 3979083, ... 7 in total.
3860715
 
#50

eMolecules: 730748, 510195
Molport: MolPort-002-507-351, MolPort-016-633-338
AK Scientific: 2901AC
AKOS: AKOS004910398
American Custom Chemicals Corp.: API0004105...103 total

ref: mol2, SDF, SMILES, flexibase
3.59,8.74,-11.43,0,6,0, 394.423, 3

Similar to: 3947513, 3947514, 3947515, 3947516, 3978464, ... 11 in total.
2548962
 
#51

eMolecules: 730748
Anward: ANW-42641
Molport BB: MolPort-001-794-641
TimTec Building Blocks: SBB006465
Vitas-M: STL372898...17 total

ref: mol2, SDF, SMILES, flexibase
3.59,7.98,-9.58,0,6,0, 394.423, 3

Similar to: 3947513, 3947514, 3947515, 3947516, 3978464, ... 13 in total.
3874885
 
#52

eMolecules: 730748
Anward: ANW-42641
Molport BB: MolPort-001-794-641
NCI Plated 2007: 26258
TimTec Building Blocks: SBB006465...22 total

ref: mol2, SDF, SMILES, flexibase
3.59,7.97,-9.53,0,6,0, 394.423, 3

Similar to: 3979083, 8660420, 1705443,
18274777
 
#53

ChemMol: 30117015, 1202927, 44002554, 98000234
eMolecules: 474380
Acros Organics: 10233
ACT Chemical BB: ACT06727
AK Scientific: H865...300 total

ref: mol2, SDF, SMILES, flexibase
0.68,0.54,-10.06,2,3,0, 151.165, 1
3079337
 
#54

TCM Database @ Taiwan: tcm03_001372
Acros Organics: 38672, 11029
AK Scientific: 2907AC, P576, K112
Alfa-Aesar: L00860, A15828, B24443
Angene Building Blocks: AGN-PC-0038JN...774 total

ref: mol2, SDF, SMILES, flexibase
-4.24,2.42,-27.92,1,2,1, 104.173, 2
490
 
#55

ChemMol: 30101457
eMolecules: 530441
Molport: MolPort-001-783-865
TCM Database @ Taiwan: 28323, tcm03_005840
Acros Organics: 22049...180 total

ref: mol2, SDF, SMILES, flexibase
2.13,3.19,-8.02,1,3,0, 152.149, 2
hi: mol2, SDF, SMILES, flexibase
2.13,4.19,-49.22,0,3,-1, 151.141, 2
3876158
 
#56

ChemMol: 30109767
American Custom Chemicals Corp.: API0002735
APIChem: AC-3520
Bosche Scientific: F6392
MicroSource Pharmakon: 01500304...68 total

ref: mol2, SDF, SMILES, flexibase
2.38,5.71,-13.65,2,4,0, 376.468, 1

Similar to: 3977973, 3977974, 3977975, 4213048, 5752187, ... 21 in total.
2011308
 
#57

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
 
#58

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.
1530649
 
#59

AK Scientific: Z3201
NCI Plated 2007: 100071
Prestwick Chemical: Prestw-1269
Synchem UG and Co KG: fd131
BindingDB.org: 50194601...35 total

ref: mol2, SDF, SMILES, flexibase
5.11,7.97,-4.15,0,1,0, 361.393, 2

Similar to: 1657422, 32234560,
3872170
 
#60

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.
3833876
 
#61

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.
3938751
 
#62

ChemMol: 30111605, 44008127
Molport: MolPort-003-986-909, MolPort-002-529-265
AK Scientific: H040, X1051
AKOS: AKOS015969655
American Custom Chemicals Corp.: SHG0000199...240 total

ref: mol2, SDF, SMILES, flexibase
3.19,6.66,-13.25,2,6,0, 430.541, 4

Similar to: 3952322, 3977887, 3977888, 3977889, 3977890, ... 45 in total.
4097286
 
#63

ChemMol: 30111605, 44008127
Molport: MolPort-002-529-265
AK Scientific: H040
AKOS: AKOS015969655
American Custom Chemicals Corp.: SHG0000199...174 total

ref: mol2, SDF, SMILES, flexibase
3.19,6.66,-12.84,2,6,0, 430.541, 4

Similar to: 3830334, 3830335, 3830336, 3830337, 3938751, ... 9 in total.
20221
 
#64

ChemMol: 30106917
AK Scientific: M727
Anward: ANW-46490
Apexmol Building Blocks: AM20040460
APIChem: AC-19025...97 total

ref: mol2, SDF, SMILES, flexibase
3.40,8.17,-8.61,0,2,0, 228.291, 4
73711
 
#65

ChemMol: 30100131
eMolecules: 510269
Scientific Exchange (make on demand): X-074877
AKOS: AKOS000120940
Alinda: IBS-L0127380...209 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.04,-9.14,1,3,0, 201.254, 1
1529266
 
#66

ChemMol: 80101254
eMolecules: 531942
Scientific Exchange (make on demand): F-434599
Acros Organics: 13812
AK Scientific: R531...116 total

ref: mol2, SDF, SMILES, flexibase
3.71,10.59,-14.87,0,2,0, 296.552, 9

Similar to: 3650098,
50914238
 
#67

Molport: MolPort-002-871-049
KeyOrganics: 5G-399S
Mcule: MCULE-5577304988
ChemDB: 4710225
PubChem: 6346333...8 total

ref: mol2, SDF, SMILES, flexibase
2.90,8.26,-7.32,1,3,0, 307.319, 5
901020
 
#68

Molport: MolPort-001-785-624
Acros Organics: 32554
Alfa-Aesar: 44804
Alinda: IBS-L0216361
Angene Building Blocks: AGN-PC-038BLD...431 total

ref: mol2, SDF, SMILES, flexibase
0.17,-1.84,-6.32,2,3,0, 89.094, 2
897288
 
#69

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,
3875357
 
#70

ChemMol: 80101126, 30101023
Acros Organics: 44895
American Custom Chemicals Corp.: API0003921, API0003922
APIChem: AC-11112
Ark Pharm Building Blocks: AK-67338...179 total

ref: mol2, SDF, SMILES, flexibase
1.41,4.54,-15.88,2,5,0, 358.434, 2

Similar to: 3977919, 3977920, 3977921, 4216862, 5273641, ... 29 in total.
3780893
 
#71

ChemMol: 80101252, 30101583, 44002060
eMolecules: 2724261
Molport: MolPort-027-564-866, MolPort-021-783-327
AKOS: AKOS015842733, AKOS005111006
Alinda: IBS-L0214140...279 total

ref: mol2, SDF, SMILES, flexibase
4.76,11.51,-13.61,1,5,0, 418.574, 7

Similar to: 3925241, 3984042, 3990542, 3990543, 3996028, ... 51 in total.
1530947
 
#72

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.
1530948
 
#73

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.
4840
 
#74

ChemMol: 2100047, 30101978, 44002335, 97900672
Active BioPharma: 1447
AK Scientific: H527
Alinda Building Blocks: ALBB-019233
APIChem: AC-6796...104 total

ref: mol2, SDF, SMILES, flexibase
2.36,5.4,-9.87,1,4,0, 270.21, 3
3875017
 
#75

Lab Seeker Building Blocks: SC-19237
Labotest: LT00452082
StruChem BB: SC-19237
TimTec: ST51006815
ChEMBL19: CHEMBL1977579...12 total

ref: mol2, SDF, SMILES, flexibase
-2.09,-8.58,-15.19,5,10,0, 265.222, 7

Similar to: 31489985, 31489987, 31489989,
3924790
 
#76

ChemMol: 30104348, 44003907
APIChem: AC-1859
Boerchem Pharmatech BB: BC208534
Bosche Scientific: C2907
Capot Chemical: 19327...163 total

ref: mol2, SDF, SMILES, flexibase
5.56,6.98,-5.55,3,3,0, 416.646, 6

Similar to: 33820707, 34323643, 34323646, 38791524, ... 13 in total.
13543615
 
#77

EndoTherm: ENA188
Toronto Research Chemicals: C144490
ChEMBL12: CHEMBL36592
ChEMBL19: CHEMBL36592
Collaborative Drug Discovery: 1033637...27 total

ref: mol2, SDF, SMILES, flexibase
5.56,7.14,-5.93,3,3,0, 416.646, 6
967521
 
#78

ChemMol: 30111163, 30104682
L99A non-binders: DL-CAMPHOR, D-CAMPHOR
Molport: MolPort-002-506-944
TCM Database @ Taiwan: tcm03_001122, 27778
Acros Organics: 10819...238 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.58,-4.63,0,1,0, 152.237, 0

Similar to: 4082362, 4082363, 4277011, 4429850, 4583026, ... 49 in total.
52957434
 
#79

ChemMol: 97900036, 44003031, 30103045
Molport: MolPort-002-885-845
Active BioPharma: 84
AK Scientific: I960
AKOS: AKOS000282888...133 total

ref: mol2, SDF, SMILES, flexibase
3.47,6.89,-8.12,1,4,0, 312.442, 1

Similar to: 5964,
13156
 
#80

ChemMol: 44000393, 30100277, 97900028, 97901115
eMolecules: 578746
Active BioPharma: 2358, 70
AK Scientific: K499
Anward: ANW-44921...153 total

ref: mol2, SDF, SMILES, flexibase
2.04,4.34,-11.23,4,5,0, 256.096, 1
lo: mol2, SDF, SMILES, flexibase
2.04,4.52,-30.43,5,5,1, 257.104, 1

Similar to: 15377, 32205459, 34531038,
3881345
 
#81

eMolecules: 26403535
Molport: MolPort-002-506-887, MolPort-002-511-052
AK Scientific: H060
Bosche Scientific: E6431
Cayman Chemical: 10006487...69 total

ref: mol2, SDF, SMILES, flexibase
5.78,11.84,-8.9,1,3,0, 376.496, 3

Similar to: 4026555, 4215844, 4521753, 5166622, 11616655, ... 23 in total.
4097467
 
#82

ChemMol: 30103860
Molport: MolPort-005-934-820
AK Scientific: I040
American Custom Chemicals Corp.: API0003279
APIChem: AC-24570...153 total

ref: mol2, SDF, SMILES, flexibase
4.09,11.68,-15.91,0,4,0, 384.516, 3

Similar to: 13298337, 13298339, 13719738, 13719742, ... 9 in total.
57522
 
#83

ChemMol: 30104617
eMolecules: 594916
Scientific Exchange (make on demand): F-434609
AK Scientific: Q770
AKOS: AKOS005111014...88 total

ref: mol2, SDF, SMILES, flexibase
5.74,11.8,-10.71,0,2,0, 307.418, 4

Similar to: 31484163,
968327
 
#84

ChemMol: 44002712, 44002418, 2000434, 30102562, 30102066
eMolecules: 902308, 49401921
Molport: MolPort-027-851-177, MolPort-028-603-922, MolPort-003-666-558
Acorn PharmaTech: ACN-S001250
ACT Chemical BB: ACT04238...244 total

ref: mol2, SDF, SMILES, flexibase
3.07,7.25,-9.32,1,5,0, 356.447, 7
lo: mol2, SDF, SMILES, flexibase
3.07,7.61,-37.53,2,5,1, 357.455, 7

Similar to: 38215483, 38215484, 38215485, 38215486, 39345971, ... 6 in total.
968326
 
#85

ChemMol: 2000434, 30102562, 44002712, 30102066, 44002418
eMolecules: 49401921, 902308
Molport: MolPort-027-851-177, MolPort-003-666-558, MolPort-028-603-922
Acorn PharmaTech: ACN-S001250
ACT Chemical BB: ACT04238...244 total

ref: mol2, SDF, SMILES, flexibase
3.07,7.25,-9.6,1,5,0, 356.447, 7
lo: mol2, SDF, SMILES, flexibase
3.07,7.61,-36.7,2,5,1, 357.455, 7

Similar to: 38215483, 38215484, 38215485, 38215486, 39345971, ... 6 in total.
3834173
 
#86

ChemMol: 97804673, 30107499
Acros Organics: 12235
AK Scientific: I381
AKOS: AKOS015920431, AKOS015856216
Alfa-Aesar: A11542...129 total

ref: mol2, SDF, SMILES, flexibase
-0.80,-3.35,-14.11,3,7,0, 354.1, 2
hi: mol2, SDF, SMILES, flexibase
-0.34,-6.06,-51.55,2,7,-1, 353.092, 2

Similar to: 6091378, 6091380, 32091406, 32091409, ... 5 in total.
12346
 
#87

ChemMol: 44009067, 30114285, 30102975, 2100045, 44002976
eMolecules: 31588897
Molport: MolPort-023-220-538
AK Scientific: R836
American Custom Chemicals Corp.: API0001223...170 total

ref: mol2, SDF, SMILES, flexibase
-1.09,-2.17,-16.53,3,6,0, 229.261, 2

Similar to: 5857297, 6482631, 6524232, 6524885, 6524886, ... 6 in total.
3973334
 
#88

ChemMol: 44029871, 1030390, 30103048
AK Scientific: H824
American Custom Chemicals Corp.: API0002670
Angene Building Blocks: AGN-PC-0NWRUL
APIChem: AC-2171...105 total

ref: mol2, SDF, SMILES, flexibase
3.35,9.64,-12.45,0,2,0, 296.41, 0

Similar to: 8674084, 11592852, 11592853, 11592854, 15449283, ... 18 in total.
20621755
 
#89

ChemMol: 44011239, 30110292, 44006074, 83600003, 30107702, 44014715
eMolecules: 6719860, 902153
Molport: MolPort-000-846-556, MolPort-002-508-209
AK Scientific: W0056, I052, M687
AKOS: AKOS015911959...150 total

ref: mol2, SDF, SMILES, flexibase
3.55,5.78,-14.02,3,6,0, 421.9, 7

Similar to: 34404524, 34404525, 34404527, 34404528, ... 5 in total.
20621758
 
#90

ChemMol: 44011239, 30110292, 44006074, 83600003, 30107702, 44014715
eMolecules: 902153, 6719860
Molport: MolPort-000-846-556, MolPort-002-508-209
AK Scientific: W0056, M687, I052
AKOS: AKOS015911959...149 total

ref: mol2, SDF, SMILES, flexibase
3.55,5.88,-11.77,3,6,0, 421.9, 7

Similar to: 34404524, 34404525, 34404527, 34404528, ... 5 in total.
5878
 
#91

ChemMol: 44010116
eMolecules: 490874
Molport: MolPort-001-783-876
Scientific Exchange (make on demand): H-045701
TCM Database @ Taiwan: tcm03_006268...360 total

ref: mol2, SDF, SMILES, flexibase
-0.48,-0.49,-8.63,2,3,0, 122.127, 1
1530776
 
#92

ChemMol: 30113425, 97900367
eMolecules: 715662
Scientific Exchange (make on demand): X-055935
Active BioPharma: 695
AK Scientific: V0152...120 total

ref: mol2, SDF, SMILES, flexibase
0.65,8.13,-15.25,0,7,0, 278.312, 5

Similar to: 1538217, 1541130, 1543097, 8464902, 32162528, ... 18 in total.
1035331
 
#93

eMolecules: 45482738
AKOS: AKOS001715163
American Custom Chemicals Corp.: API0004062, API0009704, CCH0012019
Ark Pharm Building Blocks: AK-49185
BePharm Building Blocks: B150376...143 total

ref: mol2, SDF, SMILES, flexibase
-2.77,-8.13,-17.41,5,9,0, 244.207, 3

Similar to: 4245717, 5821476, 6603353, 11592714, 31544126, ... 10 in total.
6694
 
#94

ChemMol: 30104785, 44004247
Molport: MolPort-000-883-874
AKOS: AKOS000280920
APIChem: AC-120
Boerchem Pharmatech BB: BC209355...103 total

ref: mol2, SDF, SMILES, flexibase
2.73,4.5,-14.34,2,5,0, 314.366, 3

Similar to: 35824094, 35876217,
4785
 
#95

ChemMol: 30100527, 2100000, 44000795
eMolecules: 535714
Molport: MolPort-023-220-275
Scientific Exchange (make on demand): POD_84/0323
Acros Organics: 34436...174 total

ref: mol2, SDF, SMILES, flexibase
2.84,6.95,-10.42,2,3,0, 236.274, 0
ref: mol2, SDF, SMILES, flexibase
2.60,5.58,-25.52,3,3,1, 237.282, 1
mid: mol2, SDF, SMILES, flexibase
2.60,5.16,-7.11,2,3,0, 236.274, 1
mid: mol2, SDF, SMILES, flexibase
2.60,4.97,-7.87,2,3,0, 236.274, 1
34781704
 
#96

ChemMol: 97901231, 44006075, 30113599, 2101363, 44002265, 30106916, 30101878, 30104941, 97602839, 44001372, 30100925
eMolecules: 2735330, 901680, 2723827
Molport: MolPort-002-507-842, MolPort-002-885-817
Acorn PharmaTech: ACN-S002003
ACT Chemical BB: ACT04766...378 total

ref: mol2, SDF, SMILES, flexibase
3.68,9.08,-5.9,0,3,0, 321.829, 4

Similar to: 41844213, 41844216, 41844258, 41844260, 41844278, ... 11 in total.
3831006
 
#97

ChemMol: 30100531, 44000802
AK Scientific: H651
Angene Building Blocks: AGN-PC-09ZN2M
Apexmol Building Blocks: AM20070540
APIChem: AC-8062...78 total

ref: mol2, SDF, SMILES, flexibase
2.97,4.1,-3.9,1,5,0, 233.699, 4

Similar to: 39243733,
537931
 
#98

ChemMol: 30101835, 97900024, 44002240
Acorn PharmaTech: ACN-S002091
ACT Chemical BB: ACT04775
Active BioPharma: 64
AKOS: AKOS005499513...163 total

ref: mol2, SDF, SMILES, flexibase
4.58,12.09,-8.52,0,4,0, 382.891, 2
lo: mol2, SDF, SMILES, flexibase
4.58,12.29,-40.63,1,4,1, 383.899, 2

Similar to: 34325140, 34325142, 34405299, 34558987, 34569996, ... 17 in total.
19014778
 
#99

ChemMol: 1201217, 98000654, 30100851
Molport: MolPort-001-765-126
Scientific Exchange (make on demand): POD_81/0091
AKOS: AKOS000118778
Alfa-Aesar: A15645...179 total

ref: mol2, SDF, SMILES, flexibase
2.05,4.71,-4.51,4,2,0, 198.269, 2

Similar to: 33986425,
19632839
 
#100

ChemMol: 97900005
Acorn PharmaTech: ACN-S002478, ACN-S002477
Active BioPharma: 31
BioSynth: W-106239
IBScreen Bioactives: Bio-0528...125 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.33,-15.82,0,9,0, 388.815, 3

Similar to: 38432739, 38512417, 38558982, 38558983, 38559579, ... 18 in total.

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 = 572 ) limit 0,100

Smiles were