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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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56981
 
#1

Enolase via KEGG (EFI): C02983_2
AK Scientific: V0363
AKOS: AKOS015853699
American Custom Chemicals Corp.: AAA0008504
AnalytiCon Discovery NP (Depleted): NP-000001...61 total

ref: mol2, SDF, SMILES, flexibase
-0.17,5.79,-29.19,3,4,0, 218.256, 4

Similar to: 32188618, 32188619,
4211957
 
#2

FineTech: FT-0622386
Indofine Natural Products: A-003
ChEMBL12: CHEMBL1599649
ChEMBL19: CHEMBL1599649
Individual Suppliers: Andrographolide...18 total

ref: mol2, SDF, SMILES, flexibase
1.05,1.5,-12.88,3,5,0, 350.455, 3

Similar to: 2122720, 3881796, 3881797, 3881798, 3881799, ... 9 in total.
3872446
 
#3

ChemMol: 44027299, 30101515, 97900276
eMolecules: 509332, 27677979
Molport: MolPort-000-861-050
TCM Database @ Taiwan: 27213, tcm03_002699
UEFS Natural Products: uefs-263...143 total

ref: mol2, SDF, SMILES, flexibase
0.94,-1.09,-13.29,4,8,0, 302.194, 0
hi: mol2, SDF, SMILES, flexibase
0.49,-0.46,-37.99,3,8,-1, 301.186, 0
hi: mol2, SDF, SMILES, flexibase
0.94,-0.07,-45.06,3,8,-1, 301.186, 0

Similar to: 38778463,
1531846
 
#4

ChemMol: 44011658
TCM Database @ Taiwan: 25738, 38125
AK Scientific: Y7490
Ark Pharm Building Blocks: AK-34266, AK132975
Bide Pharmatech BB: BD16780...57 total

ref: mol2, SDF, SMILES, flexibase
3.22,6.04,-12.03,2,4,0, 294.391, 10

Similar to: 3872686, 15257049, 15257052, 15257073, 15257077, ... 14 in total.
3872686
 
#5

eMolecules: 25720315
Molport: MolPort-001-741-442
TCM Database @ Taiwan: tcm03_003344, 25732
AK Scientific: Y7490
AnalytiCon Discovery NP: NP-003855...31 total

ref: mol2, SDF, SMILES, flexibase
3.22,6.04,-12.05,2,4,0, 294.391, 10

Similar to: 15257049, 15257052, 15257073, 15257077, 15257132, ... 14 in total.
12496083
 
#6

Molport: MolPort-001-742-590
Scientific Exchange (make on demand): M-618766
AK Scientific: W1021
AnalytiCon Discovery NP: NP-010656
Anward: ANW-26870...91 total

ref: mol2, SDF, SMILES, flexibase
2.68,3.61,-6.89,1,3,0, 214.268, 1
lo: mol2, SDF, SMILES, flexibase
2.51,4.94,-100.78,3,3,2, 216.284, 1
58176
 
#7

Molport: MolPort-003-935-531, MolPort-003-665-634
AK Scientific: Y1429
BioSynth: H-1108, H-1110
Element Store BB: b2star-6028-00-8
EndoTherm: ENV003...86 total

ref: mol2, SDF, SMILES, flexibase
2.15,1.46,-7.2,2,3,0, 200.241, 0
ref: mol2, SDF, SMILES, flexibase
1.77,3.41,-48.19,2,3,0, 200.241, 0
ref: mol2, SDF, SMILES, flexibase
1.97,2.48,-31.67,3,3,1, 201.249, 0
lo: mol2, SDF, SMILES, flexibase
2.15,2.43,-34.18,3,3,1, 201.249, 0

Similar to: 34532298,
5765036
 
#8

Molport: MolPort-003-926-010, MolPort-001-792-760
BioSynth: H-1312, H-1310, H-1313, H-1300
Chembo Pharma: KB-52344
FineTech: FT-0626862, FT-0603420
IBScreen NP: STOCK1N-18231...82 total

ref: mol2, SDF, SMILES, flexibase
2.09,2.68,-7.61,2,3,0, 198.225, 0
ref: mol2, SDF, SMILES, flexibase
2.09,3.1,-33.34,3,3,1, 199.233, 0
mid: mol2, SDF, SMILES, flexibase
1.89,3.3,-11.66,3,3,0, 199.233, 0
hi: mol2, SDF, SMILES, flexibase
2.09,3.44,-44.12,1,3,-1, 197.217, 0
hi: mol2, SDF, SMILES, flexibase
1.89,4.11,-54.09,2,3,0, 198.225, 0
5430812
 
#9

AfroDb Natural Products: NPR_00078
ChemMol: 30112346
TCM Database @ Taiwan: tcm03_005183
AK Scientific: W2645
Anward: ANW-73224...54 total

ref: mol2, SDF, SMILES, flexibase
6.32,6.65,-10.92,3,6,0, 410.466, 5
mid: mol2, SDF, SMILES, flexibase
5.42,7.43,-44.09,2,6,-1, 409.458, 5

Similar to: 34655421, 38250624, 39033950,
902159
 
#10

Enolase via KEGG (EFI): C04446_2
TCM Database @ Taiwan: tcm03_005934
BioSynth: M-7300
Element Store BB: b2star-500-44-7
FineTech: FT-0627961...68 total

ref: mol2, SDF, SMILES, flexibase
-4.16,1.04,-45.07,4,6,0, 198.178, 3
hi: mol2, SDF, SMILES, flexibase
3.00,8.44,-11.93,0,7,0, 425.436, 7

Similar to: 6524704, 30725322, 32250804, 32250807, ... 4 in total.
4098166
 
#11

AK Scientific: Y2053
Indofine Natural Products: P-002
BindingDB.org: 50017684
Bitter DB: 89
ChEMBL12: CHEMBL47244...36 total

ref: mol2, SDF, SMILES, flexibase
-1.21,2.83,-16.67,1,6,0, 292.287, 1

Similar to: 4245611, 7997795, 14655862, 14655865, 17027441, ... 6 in total.
58187
 
#12

AfroDb Natural Products: BMC_00047
ChemMol: 44011885
TCM Database @ Taiwan: tcm03_006947
UEFS Natural Products: uefs-55
Acros Organics: 18404...67 total

ref: mol2, SDF, SMILES, flexibase
1.78,4.24,-7.85,1,3,0, 188.182, 0

Similar to: 32252309, 32267317, 34583707, 34616926, 36374066, ... 7 in total.
58188
 
#13

AfroDb Natural Products: AN_UY_018
eMolecules: 4368776
Molport: MolPort-003-927-231
AnalytiCon Discovery NP: NP-015474
Indofine Natural Products: P-006...17 total

ref: mol2, SDF, SMILES, flexibase
4.36,7.13,-12.93,0,4,0, 293.298, 4
mid: mol2, SDF, SMILES, flexibase
3.16,3.8,-22.24,0,4,0, 294.306, 5
mid: mol2, SDF, SMILES, flexibase
4.36,9.56,-59.86,0,4,-1, 293.298, 4
mid: mol2, SDF, SMILES, flexibase
4.36,9.39,-60.29,0,4,-1, 293.298, 4

Similar to: 34348727, 34348728, 34348729,
3860633
 
#14

eMolecules: 206975932
Enolase via KEGG (EFI): C04446_1
Molport: MolPort-002-527-308
American Custom Chemicals Corp.: CCH0008461
Element Store BB: b2star-500-44-7...47 total

ref: mol2, SDF, SMILES, flexibase
-4.16,1.03,-42.84,4,6,0, 198.178, 3

Similar to: 6524704, 30725322, 32250804, 32250807, ... 4 in total.
3995861
 
#15

Acros Organics: 13121
American Custom Chemicals Corp.: CHM0031808
BioSynth: Q-100267
BOC Sciences BB: 21416-53-5
Indofine Natural Products: P-150...67 total

ref: mol2, SDF, SMILES, flexibase
-2.23,2.63,-18.59,2,7,0, 310.302, 1

Similar to: 4963506, 7997513, 7999161, 14655816, 14655819, ... 15 in total.
4247581
 
#16

Indofine Natural Products: M-001
ref: mol2, SDF, SMILES, flexibase
-0.82,-11.29,-21.8,5,9,0, 392.36, 2
mid: mol2, SDF, SMILES, flexibase
-1.56,-12.04,-27.02,4,9,0, 392.36, 2

Similar to: 4247587, 4247588, 4247590,
4247587
 
#17

Indofine Natural Products: M-001
ref: mol2, SDF, SMILES, flexibase
-0.82,-12.8,-22.84,5,9,0, 392.36, 2
mid: mol2, SDF, SMILES, flexibase
-1.56,-13.18,-25.88,4,9,0, 392.36, 2

Similar to: 4247588, 4247590, 4247581,
4247588
 
#18

Indofine Natural Products: M-001
ref: mol2, SDF, SMILES, flexibase
-0.82,-12.25,-21.77,5,9,0, 392.36, 2
mid: mol2, SDF, SMILES, flexibase
-1.56,-12.93,-27.78,4,9,0, 392.36, 2

Similar to: 4247590, 4247581, 4247587,
4247590
 
#19

Indofine Natural Products: M-001
ref: mol2, SDF, SMILES, flexibase
-0.82,-11.83,-23.44,5,9,0, 392.36, 2
mid: mol2, SDF, SMILES, flexibase
-1.56,-12.56,-24.03,4,9,0, 392.36, 2

Similar to: 4247581, 4247587, 4247588,
4349845
 
#20

Element Store BB: b2star-5508-58-7
FineTech: FT-0622386
Indofine Natural Products: A-003
Mcule: MCULE-4379391397
ChEMBL12: CHEMBL1599649...22 total

ref: mol2, SDF, SMILES, flexibase
1.05,2.68,-13.02,3,5,0, 350.455, 3

Similar to: 2122720, 3881796, 3881797, 3881798, 3881799, ... 9 in total.
4349847
 
#21

Indofine Natural Products: A-003
PubChem: 24957530
ref: mol2, SDF, SMILES, flexibase
1.05,-3.14,-14.34,3,5,0, 350.455, 3

Similar to: 2122720, 3881796, 3881797, 3881798, 3881799, ... 9 in total.
4349849
 
#22

Indofine Natural Products: A-003
PubChem: 24957530
ref: mol2, SDF, SMILES, flexibase
1.05,-3.79,-14.69,3,5,0, 350.455, 3

Similar to: 2122720, 3881796, 3881797, 3881798, 3881799, ... 9 in total.
4349851
 
#23

Indofine Natural Products: C-003
Indofine (Depleted): C-003
Ambinter: Amb10843106
ref: mol2, SDF, SMILES, flexibase
4.79,2.95,-72.95,2,2,2, 358.614, 1

Similar to: 4577166, 4577167, 5529758, 5752284, 33830292, ... 20 in total.
4349857
 
#24

Indofine Natural Products: NR-004
Indofine (Depleted): NR-004
PubChem: 24211911, 40484462
ref: mol2, SDF, SMILES, flexibase
2.12,-0.22,-12.51,3,6,0, 394.508, 3

Similar to: 4349859, 4349862, 4349863, 33792696, 33792697, ... 11 in total.
4349859
 
#25

Indofine Natural Products: NR-004
Indofine (Depleted): NR-004
PubChem: 24211911, 40484463
ref: mol2, SDF, SMILES, flexibase
2.12,-0.43,-9.29,3,6,0, 394.508, 3

Similar to: 4349862, 4349863, 33792696, 33792697, 33792698, ... 11 in total.
4349862
 
#26

Indofine Natural Products: NR-004
Indofine (Depleted): NR-004
PubChem: 24211911, 40484464
ref: mol2, SDF, SMILES, flexibase
2.12,-0.54,-8.48,3,6,0, 394.508, 3

Similar to: 4349863, 33792696, 33792697, 33792698, 33792699, ... 11 in total.
4349863
 
#27

Indofine Natural Products: NR-004
Indofine (Depleted): NR-004
PubChem: 24211911, 40484465
ref: mol2, SDF, SMILES, flexibase
2.12,-0.3,-8.94,3,6,0, 394.508, 3

Similar to: 33792696, 33792697, 33792698, 33792699, 43465500, ... 11 in total.
4349898
 
#28

Indofine Natural Products: 19-154
ref: mol2, SDF, SMILES, flexibase
5.81,-0.21,-56.14,2,4,-1, 471.702, 1

Similar to: 4349900, 4349902, 4349905, 8681625, 8681626, ... 18 in total.
4349900
 
#29

Indofine Natural Products: 19-154
ref: mol2, SDF, SMILES, flexibase
5.81,0.01,-56.86,2,4,-1, 471.702, 1

Similar to: 4349902, 4349905, 8681625, 8681626, 8681775, ... 18 in total.
4349902
 
#30

Indofine Natural Products: 19-154
ref: mol2, SDF, SMILES, flexibase
5.81,-0.82,-55.31,2,4,-1, 471.702, 1

Similar to: 4349905, 8681625, 8681626, 8681775, 8782359, ... 18 in total.
4349905
 
#31

Indofine Natural Products: 19-154
ref: mol2, SDF, SMILES, flexibase
5.81,-0.4,-57.74,2,4,-1, 471.702, 1

Similar to: 8681625, 8681626, 8681775, 8782359, 8782360, ... 18 in total.
58172
 
#32

ChemMol: 1035265, 30100297
eMolecules: 206844054
Enolase via KEGG (EFI): C01197_1
Scientific Exchange (make on demand): F-329213
TCM Database @ Taiwan: 25809...200 total

ref: mol2, SDF, SMILES, flexibase
0.94,1.43,-49.59,2,4,-1, 179.151, 2

Similar to: 4482687, 34622431,
2138728
 
#33

ChemMol: 30101502, 44027014
eMolecules: 29541115
Molport: MolPort-001-740-212
TCM Database @ Taiwan: 25918
Acros Organics: 10924...101 total

ref: mol2, SDF, SMILES, flexibase
-0.45,-1.23,-55.09,5,9,-1, 353.303, 5

Similar to: 3919243, 3947475, 3947476, 4096248, 4102407, ... 22 in total.
899824
 
#34

ChemMol: 97900277, 44010770, 30100405
eMolecules: 207080858, 206844175, 494487
Molport: MolPort-006-111-331, MolPort-003-665-679
TCM Database @ Taiwan: 26668, tcm03_001780, 28596
Acros Organics: 21858...336 total

ref: mol2, SDF, SMILES, flexibase
2.30,7.14,-22.28,2,6,0, 368.385, 8
hi: mol2, SDF, SMILES, flexibase
3.05,5.47,-58.07,2,6,-1, 367.377, 7

Similar to: 33799538, 33799539, 36445556, 38424733, 40828260, ... 6 in total.
58185
 
#35

ChemMol: 44035277
Indofine Natural Products: P-004
TimTec: ST50331759
ChEMBL12: CHEMBL1322597
ChEMBL19: CHEMBL1322597...10 total

ref: mol2, SDF, SMILES, flexibase
1.88,7.79,-21.88,0,6,0, 319.357, 5

Similar to: 7998042, 31970705,
61688126
 
#36

Indofine Natural Products: 19-154
ChEMBL12: CHEMBL1698617
ChEMBL19: CHEMBL1494479, CHEMBL1698617
Collaborative Drug Discovery: 1521553, 315377
Indofine (Depleted): 19-154...8 total

ref: mol2, SDF, SMILES, flexibase
5.81,9.87,-54.01,2,4,-1, 471.702, 1
lo: mol2, SDF, SMILES, flexibase
5.81,7.94,-7.27,3,4,0, 472.71, 1
28116057
 
#37

TCM Database @ Taiwan: 27088, tcm03_004552
BioSynth: Q-100580
Indofine Natural Products: 06-029
MolMall (Depleted): 9741
MolMall (formerly Molecular Diversity Preservation International): 19237...47 total

ref: mol2, SDF, SMILES, flexibase
6.55,12.56,-14.64,0,8,0, 622.762, 4
lo: mol2, SDF, SMILES, flexibase
6.55,15.24,-57.28,1,8,1, 623.77, 4

Similar to: 42835508, 42852048,
8681639
 
#38

Indofine Natural Products: 06-018
ChEMBL19: CHEMBL1515685
Herbal Ingredients Targets: C0271
ref: mol2, SDF, SMILES, flexibase
1.67,-15.05,-23.81,8,15,0, 676.668, 9

Similar to: 8382399,
49639416
 
#39

Indofine Natural Products: 06-018
ChEMBL19: CHEMBL1515685
Herbal Ingredients Targets: C0271
ref: mol2, SDF, SMILES, flexibase
1.66,-3.67,-21.04,8,15,0, 676.668, 9

Similar to: 8382399,
49639414
 
#40

Indofine Natural Products: 06-018
ChEMBL19: CHEMBL1515685
Herbal Ingredients Targets: C0271
ref: mol2, SDF, SMILES, flexibase
1.66,-3.52,-19.13,8,15,0, 676.668, 9

Similar to: 8382399,
49639413
 
#41

Indofine Natural Products: 06-018
ChEMBL19: CHEMBL1515685
Herbal Ingredients Targets: C0271
ref: mol2, SDF, SMILES, flexibase
1.66,-2.52,-21.18,8,15,0, 676.668, 9

Similar to: 8382399,
13424750
 
#42

Indofine Natural Products: A-003
ref: mol2, SDF, SMILES, flexibase
1.05,1.89,-14.36,3,5,0, 350.455, 3
13424751
 
#43

Indofine Natural Products: A-003
ref: mol2, SDF, SMILES, flexibase
1.05,1.86,-13.22,3,5,0, 350.455, 3
13424752
 
#44

Indofine Natural Products: A-003
PubChem: 7061135
ref: mol2, SDF, SMILES, flexibase
1.05,1.48,-13.17,3,5,0, 350.455, 3
13424753
 
#45

Indofine Natural Products: A-003
ref: mol2, SDF, SMILES, flexibase
1.05,2.75,-13.54,3,5,0, 350.455, 3
18847046
 
#46

AfroDb Natural Products: SA_0059
ChemMol: 96700134
Acros Organics: 30297
AK Scientific: Q568, X1159
AKOS: AKOS003673313...123 total

ref: mol2, SDF, SMILES, flexibase
2.63,5.25,-32.65,2,3,1, 213.26, 1
hi: mol2, SDF, SMILES, flexibase
2.63,4.83,-7.3,1,3,0, 212.252, 1

Similar to: 34614930, 39050507, 39050509,
5529758
 
#47

Indofine Natural Products: C-003
Indofine (Depleted): C-003
PubChem: 45042143
Ambinter: Amb10843106
ref: mol2, SDF, SMILES, flexibase
4.79,3.15,-77.51,2,2,2, 358.614, 1

Similar to: 5752284, 33830292, 33830293, 33830294, 33830295, ... 21 in total.
13424755
 
#48

Indofine Natural Products: C-003
Indofine (Depleted): C-003
SureChEMBL: SCHEMBL13391518
Ambinter: Amb10843106
ref: mol2, SDF, SMILES, flexibase
4.79,13.24,-77.43,2,2,2, 358.614, 1
4097188
 
#49

TCM Database @ Taiwan: tcm03_001587
American Custom Chemicals Corp.: API0002105
Indofine Natural Products: C-003
Prestwick Chemical: 638
Sequoia Research Products: 546-06-5...40 total

ref: mol2, SDF, SMILES, flexibase
4.79,13.04,-76.57,2,2,2, 358.614, 1

Similar to: 4166154, 4166163, 4349851, 4577166, 4577167, ... 31 in total.
28966907
 
#50

Indofine Natural Products: M-001
ref: mol2, SDF, SMILES, flexibase
-0.23,-5.18,-22.26,6,9,0, 392.36, 2

Similar to: 34960931, 36728545, 36728546, 36728547, 36728548, ... 9 in total.
28966911
 
#51

Indofine Natural Products: M-001
ref: mol2, SDF, SMILES, flexibase
-0.23,-5.12,-23.07,6,9,0, 392.36, 2

Similar to: 34960931, 36728545, 36728546, 36728547, 36728548, ... 9 in total.
28966917
 
#52

Indofine Natural Products: M-001
ref: mol2, SDF, SMILES, flexibase
-0.23,-4.65,-17.79,6,9,0, 392.36, 2

Similar to: 34960931, 36728545, 36728546, 36728547, 36728548, ... 9 in total.
28966920
 
#53

Indofine Natural Products: M-001
ref: mol2, SDF, SMILES, flexibase
-0.23,-4.64,-19.03,6,9,0, 392.36, 2

Similar to: 34960931, 34960935, 36728545, 36728546, 36728547, ... 10 in total.
64220367
 
#54

Indofine Natural Products: NR-005
Indofine (Depleted): NR-005
PubChem: 58915707
SureChEMBL: SCHEMBL12300603
ref: mol2, SDF, SMILES, flexibase
1.15,2.9,-11.06,2,4,0, 238.283, 6
64220366
 
#55

Indofine Natural Products: NR-005
Indofine (Depleted): NR-005
PubChem: 59305567, 58915707
SureChEMBL: SCHEMBL12300603
ref: mol2, SDF, SMILES, flexibase
1.15,2.9,-11.11,2,4,0, 238.283, 6
64220364
 
#56

Indofine Natural Products: H-005
Indofine (Depleted): H-005
PubChem: 59248188
SureChEMBL: SCHEMBL7737505
ref: mol2, SDF, SMILES, flexibase
3.90,6.64,-6.36,1,2,0, 211.264, 1
64220363
 
#57

Indofine Natural Products: H-001
Indofine (Depleted): H-001
ref: mol2, SDF, SMILES, flexibase
2.04,2.68,-5.29,1,3,0, 216.284, 1
lo: mol2, SDF, SMILES, flexibase
2.04,3.63,-35.28,2,3,1, 217.292, 1
64220362
 
#58

Indofine Natural Products: H-001
Indofine (Depleted): H-001
ref: mol2, SDF, SMILES, flexibase
2.04,2.8,-5.46,1,3,0, 216.284, 1
lo: mol2, SDF, SMILES, flexibase
2.04,3.73,-36.1,2,3,1, 217.292, 1
64220361
 
#59

Indofine Natural Products: H-001
Indofine (Depleted): H-001
ref: mol2, SDF, SMILES, flexibase
2.04,2.84,-5.53,1,3,0, 216.284, 1
lo: mol2, SDF, SMILES, flexibase
2.04,3.76,-36.12,2,3,1, 217.292, 1
64220360
 
#60

Indofine Natural Products: H-001
Indofine (Depleted): H-001
ref: mol2, SDF, SMILES, flexibase
2.04,2.75,-5.3,1,3,0, 216.284, 1
lo: mol2, SDF, SMILES, flexibase
2.04,3.71,-35.34,2,3,1, 217.292, 1
36728548
 
#61

Indofine Natural Products: M-001
TimTec: ST50331754
Indofine (Depleted): M-001
PubChem: 51870316
ref: mol2, SDF, SMILES, flexibase
-0.23,-6.45,-16.43,6,9,0, 392.36, 2

Similar to: 39027671, 39027672, 39027673, 39027674, ... 11 in total.
36728547
 
#62

Indofine Natural Products: M-001
TimTec: ST50331754
Indofine (Depleted): M-001
PubChem: 51870315
ref: mol2, SDF, SMILES, flexibase
-0.23,-6.97,-17.56,6,9,0, 392.36, 2

Similar to: 36728548, 39027671, 39027672, 39027673, 39027674, ... 11 in total.
36728546
 
#63

Indofine Natural Products: M-001
TimTec: ST50331754
Indofine (Depleted): M-001
PubChem: 51870314
ref: mol2, SDF, SMILES, flexibase
-0.23,-7.71,-17.48,6,9,0, 392.36, 2

Similar to: 36728547, 36728548, 39027671, 39027672, 39027673, ... 11 in total.
36728545
 
#64

Indofine Natural Products: M-001
TimTec: ST50331754
Indofine (Depleted): M-001
PubChem: 51870313
ref: mol2, SDF, SMILES, flexibase
-0.23,-5.69,-16.68,6,9,0, 392.36, 2

Similar to: 36728546, 36728547, 36728548, 39027671, 39027672, ... 12 in total.
5664617
 
#65

FineTech: FT-0622386
IBScreen Bioactives: Bio-0337
Indofine Natural Products: A-003
ZereneX Building Blocks: ZBioX-0303
AKOS BB (make-on-demand): AKOS015969723...13 total

ref: mol2, SDF, SMILES, flexibase
1.05,-2.82,-13.87,3,5,0, 350.455, 3
5664615
 
#66

Element Store BB: b2star-5508-58-7
FineTech: FT-0622386
Indofine Natural Products: A-003
Mcule: MCULE-4379391397
ChemDB: 4582093...14 total

ref: mol2, SDF, SMILES, flexibase
1.05,-3.38,-14.32,3,5,0, 350.455, 3
1565264
 
#67

AK Scientific: HTS004146
Chembo Pharma: KB-182041
Enamine Building Blocks: EN300-142094
Indofine Natural Products: A-001
KeyOrganics: BS-3818...18 total

ref: mol2, SDF, SMILES, flexibase
3.00,0.64,-4.72,1,1,0, 145.205, 1

Similar to: 6117655, 33847054, 34329848, 34552631, 38234404, ... 5 in total.
18082430
 
#68

eMolecules: 538519
TCM Database @ Taiwan: 42606, tcm03_005812
American Custom Chemicals Corp.: CRB0000745, CCH0012321
Apollo Scientific Bioactives: BI3933
Ark Pharm Building Blocks: AK122595...50 total

ref: mol2, SDF, SMILES, flexibase
-1.64,-6.81,-10.53,4,5,0, 164.157, 4
hi: mol2, SDF, SMILES, flexibase
-2.49,-5.27,-54.78,3,5,-1, 163.149, 4
hi: mol2, SDF, SMILES, flexibase
-2.49,-4.65,-55.89,3,5,-1, 163.149, 4

Similar to: 33902628, 34348819, 34348820, 34348821, ... 6 in total.
2566155
 
#69

Indofine Natural Products: P-006
Tetrahedron Building Blocks: TS35689
ChEMBL12: CHEMBL388990
SureChEMBL: SCHEMBL12546430
ref: mol2, SDF, SMILES, flexibase
4.36,6.99,-13.29,0,4,0, 293.298, 4
mid: mol2, SDF, SMILES, flexibase
4.36,9.45,-60.97,0,4,-1, 293.298, 4
mid: mol2, SDF, SMILES, flexibase
3.16,9.47,-26.52,0,4,0, 294.306, 5
mid: mol2, SDF, SMILES, flexibase
4.36,9.35,-61.83,0,4,-1, 293.298, 4

Similar to: 34348727, 34348728, 34348729,
71404364
 
#70

Indofine Natural Products: P-150
ref: mol2, SDF, SMILES, flexibase
-2.23,1.12,-14.49,2,7,0, 310.302, 1
39205376
 
#71

Indofine Natural Products: M-001
Leadscope via PubChem: LS-89236
PubChem: 5464041, 12306736
SureChEMBL: SCHEMBL4557455
ref: mol2, SDF, SMILES, flexibase
-0.16,-8.77,-20.99,8,11,0, 422.342, 2
hi: mol2, SDF, SMILES, flexibase
-0.16,-7.85,-56.05,7,11,-1, 421.334, 2
hi: mol2, SDF, SMILES, flexibase
-0.16,-8.09,-58.25,7,11,-1, 421.334, 2
71404363
 
#72

Indofine Natural Products: 10-006
ref: mol2, SDF, SMILES, flexibase
0.86,-0.98,-10.16,3,4,0, 200.263, 2
71404362
 
#73

Indofine Natural Products: 19-624
PubChem: 11232766
SureChEMBL: SCHEMBL3148987
ref: mol2, SDF, SMILES, flexibase
2.49,7.53,-11.09,3,9,0, 330.3, 7
38140522
 
#74

Indofine Natural Products: 19-154
ChEMBL12: CHEMBL1494479
Collaborative Drug Discovery: 45768
PubChem: 9982268, 51892381
SMDC Public: 735636...7 total

ref: mol2, SDF, SMILES, flexibase
5.81,9.55,-56.67,2,4,-1, 471.702, 1
lo: mol2, SDF, SMILES, flexibase
5.81,7.59,-7.73,3,4,0, 472.71, 1
38140521
 
#75

Indofine Natural Products: 19-154
ChEMBL12: CHEMBL1494479
ChEMBL19: CHEMBL1494479
Collaborative Drug Discovery: 45768
Indofine (Depleted): 19-154...9 total

ref: mol2, SDF, SMILES, flexibase
5.81,9.99,-55.73,2,4,-1, 471.702, 1
lo: mol2, SDF, SMILES, flexibase
5.81,8.04,-7.04,3,4,0, 472.71, 1
38140520
 
#76

TCM Database @ Taiwan: tcm03_007982
Indofine Natural Products: 19-154
AKOS BB (make-on-demand): AKOS015903183
ChEMBL12: CHEMBL1494479
Collaborative Drug Discovery: 45768...10 total

ref: mol2, SDF, SMILES, flexibase
5.81,9.47,-53.29,2,4,-1, 471.702, 1
lo: mol2, SDF, SMILES, flexibase
5.81,7.51,-8.45,3,4,0, 472.71, 1
38140519
 
#77

Indofine Natural Products: 19-154
AKOS BB (make-on-demand): AKOS015903183
ChEMBL12: CHEMBL1494479
ChEMBL19: CHEMBL1494479
Collaborative Drug Discovery: 45768...11 total

ref: mol2, SDF, SMILES, flexibase
5.81,9.9,-52,2,4,-1, 471.702, 1
lo: mol2, SDF, SMILES, flexibase
5.81,7.93,-7.02,3,4,0, 472.71, 1
3978827
 
#78

ChemMol: 1030417
TCM Database @ Taiwan: 26799
Acros Organics: 29018
American Custom Chemicals Corp.: HBL0000218
AnalytiCon Discovery NP (Depleted): NP-000750...121 total

ref: mol2, SDF, SMILES, flexibase
6.79,12.05,-49.78,1,3,-1, 455.703, 1
lo: mol2, SDF, SMILES, flexibase
6.79,10.29,-5.45,2,3,0, 456.711, 1

Similar to: 3978828, 3978829, 4273370, 4273371, 4273372, ... 58 in total.
733
 
#79

ChemMol: 30108735, 83601213, 44010771, 97800902
eMolecules: 594160
Molport: MolPort-020-002-729, MolPort-023-221-543
Scientific Exchange (make on demand): F-393787
TCM Database @ Taiwan: tcm03_008005...153 total

ref: mol2, SDF, SMILES, flexibase
0.43,-0.78,-43.1,4,3,1, 168.216, 3
hi: mol2, SDF, SMILES, flexibase
0.43,-2.29,-5.42,3,3,0, 167.208, 3

Similar to: 403588,
403588
 
#80

ChemMol: 30108735, 83601213, 44010771, 97800902
eMolecules: 594160
Molport: MolPort-023-221-543
Scientific Exchange (make on demand): F-393787
TCM Database @ Taiwan: 46640...154 total

ref: mol2, SDF, SMILES, flexibase
0.43,-0.72,-42.44,4,3,1, 168.216, 3
hi: mol2, SDF, SMILES, flexibase
0.43,-2.17,-5.01,3,3,0, 167.208, 3

Similar to: 34638840, 34638841, 35874966, 35874967, 39311919, ... 7 in total.
3860720
 
#81

ChemMol: 30101027, 97602663
eMolecules: 531403, 29549772
Molport: MolPort-002-507-279, MolPort-016-633-340
Scientific Exchange (make on demand): F-137680
Acros Organics: 13270...124 total

ref: mol2, SDF, SMILES, flexibase
-1.57,-3.21,-47.57,3,5,-1, 173.144, 1

Similar to: 4025808, 5273809, 8681449, 9214237, 15894723, ... 7 in total.
489007
 
#82

ChemMol: 30100359
AKOS: AKOS004119879
Aldrich CPR: R260584|ALDRICH
APIChem: AC-6057
Indofine Natural Products: 06-019...12 total

ref: mol2, SDF, SMILES, flexibase
1.98,7.94,-42.02,1,3,1, 249.378, 0

Similar to: 1318586, 1322576, 3881785, 4023974, 4028737, ... 17 in total.
48056993
 
#83

Indofine Natural Products: 06-016
Indofine (Depleted): 06-016
Ambinter: Amb10843109
ref: mol2, SDF, SMILES, flexibase
-3.98,-6.07,-105.95,5,13,-2, 382.274, 5
48056990
 
#84

Indofine Natural Products: 06-016
Indofine (Depleted): 06-016
Ambinter: Amb10843109
ref: mol2, SDF, SMILES, flexibase
-3.98,-6.2,-110.49,5,13,-2, 382.274, 5

Similar to: 38496194,
48056987
 
#85

Indofine Natural Products: 06-016
Indofine (Depleted): 06-016
Ambinter: Amb10843109
ref: mol2, SDF, SMILES, flexibase
-3.98,-5.61,-103.5,5,13,-2, 382.274, 5

Similar to: 38496194,
48056985
 
#86

Indofine Natural Products: 06-016
Indofine (Depleted): 06-016
Ambinter: Amb10843109
ref: mol2, SDF, SMILES, flexibase
-3.98,-5.43,-105.34,5,13,-2, 382.274, 5
19203131
 
#87

ChemMol: 44001469, 30100980, 30114282
eMolecules: 4775675, 27249335
Molport: MolPort-001-742-604, MolPort-007-980-884, MolPort-002-507-130, MolPort-023-220-126
TCM Database @ Taiwan: 26897, tcm03_003501
Acros Organics: 12015...201 total

ref: mol2, SDF, SMILES, flexibase
5.62,11.48,-62.34,1,4,-1, 469.686, 1
ref: mol2, SDF, SMILES, flexibase
5.62,11.49,-61.44,1,4,-1, 469.686, 1
lo: mol2, SDF, SMILES, flexibase
5.62,9.52,-14.08,2,4,0, 470.694, 1
lo: mol2, SDF, SMILES, flexibase
5.62,9.52,-13.54,2,4,0, 470.694, 1
19535046
 
#88

ChemMol: 44014624, 30113646
eMolecules: 35779685, 871934
Molport: MolPort-001-728-102
TCM Database @ Taiwan: 31468, tcm03_008298
AK Scientific: Y0073...102 total

ref: mol2, SDF, SMILES, flexibase
2.75,6.69,-10.5,0,5,0, 355.434, 4

Similar to: 31474869, 31561919, 31561923, 31561925, ... 9 in total.
19535049
 
#89

ChemMol: 30113646, 30105076, 30113653, 44014624
eMolecules: 871934, 35779685
Molport: MolPort-000-881-202, MolPort-001-728-102
TCM Database @ Taiwan: 31474
AK Scientific: V0216...122 total

ref: mol2, SDF, SMILES, flexibase
2.75,6.77,-10.58,0,5,0, 355.434, 4

Similar to: 31474869, 31561919, 31561923, 31561925, ... 9 in total.
1531669
 
#90

ChemMol: 44006145, 30107883
eMolecules: 734064
Molport: MolPort-001-741-083
TCM Database @ Taiwan: tcm03_006311, 26582
AK Scientific: V0181...68 total

ref: mol2, SDF, SMILES, flexibase
3.37,8.25,-12.54,0,8,0, 402.399, 7

Similar to: 1694496, 14437311, 14437313, 39250960, ... 4 in total.
621853
 
#91

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.
3978829
 
#92

ChemMol: 1030417
TCM Database @ Taiwan: 26478, tcm03_008760
AnalytiCon Discovery NP (Depleted): NP-000750
Ark Pharm Building Blocks: AK106174
BePharm Building Blocks: B9285...43 total

ref: mol2, SDF, SMILES, flexibase
6.79,12.18,-51.64,1,3,-1, 455.703, 1
lo: mol2, SDF, SMILES, flexibase
6.79,10.37,-6.39,2,3,0, 456.711, 1

Similar to: 31519772, 32090402, 32090406, 32090409, 32090413, ... 21 in total.
12650538
 
#93

ChemMol: 44021065, 44027243, 44008056, 44022680, 97603262, 30111138
Molport: MolPort-002-501-553
A&J Pharmtech: AJ-00601
ACT Chemical BB: ACT03825
AK Scientific: X8793...87 total

ref: mol2, SDF, SMILES, flexibase
0.31,0.61,-50.45,5,3,1, 170.261, 0
lo: mol2, SDF, SMILES, flexibase
0.31,0.84,-91.3,6,3,2, 171.269, 0

Similar to: 12650535,
12650535
 
#94

ChemMol: 97603259, 44022680, 44027243, 44003624, 44010454, 30111138, 44008056, 44021065
Molport: MolPort-002-499-492
A&J Pharmtech: AJ-00600
ACT Chemical BB: ACT03825
Aldrich CPR: CDS004267|ALDRICH...97 total

ref: mol2, SDF, SMILES, flexibase
0.31,0.6,-50.43,5,3,1, 170.261, 0
lo: mol2, SDF, SMILES, flexibase
0.31,0.84,-91.24,6,3,2, 171.269, 0

Similar to: 12650538,
45496595
 
#95

Indofine Natural Products: 19-154
Tetrahedron Building Blocks: TS72271
ChEMBL12: CHEMBL1698617, CHEMBL486807
ChEMBL19: CHEMBL1494479, CHEMBL486807, CHEMBL1698617
Collaborative Drug Discovery: 315377...17 total

ref: mol2, SDF, SMILES, flexibase
5.81,9.81,-54.34,2,4,-1, 471.702, 1
lo: mol2, SDF, SMILES, flexibase
5.81,7.83,-7.35,3,4,0, 472.71, 1
3881804
 
#96

ChemMol: 30107886, 44006147
Molport: MolPort-016-633-335, MolPort-002-507-309
TCM Database @ Taiwan: 29106, tcm03_006545
AK Scientific: O357, 7967AB
AKOS: AKOS004120031...41 total

ref: mol2, SDF, SMILES, flexibase
1.94,7.61,-14.73,0,4,0, 264.369, 0

Similar to: 4042223, 5037482, 5037484, 5085219, 5085220, ... 12 in total.
62662896
 
#97

AK Scientific: 0230AB
Ark Pharm Building Blocks: AK115014
BePharm Building Blocks: B142716
BOC Sciences BB: 198973-94-3
Chembo Pharma: KB-216288...15 total

ref: mol2, SDF, SMILES, flexibase
2.83,7.8,-38.92,2,2,1, 267.396, 4
hi: mol2, SDF, SMILES, flexibase
2.83,6.42,-2.73,1,2,0, 266.388, 4
62662894
 
#98

AK Scientific: 0230AB
Ark Pharm Building Blocks: AK115014
BePharm Building Blocks: B142716
BOC Sciences BB: 198973-94-3
Chembo Pharma: KB-216288...16 total

ref: mol2, SDF, SMILES, flexibase
2.83,7.75,-38.81,2,2,1, 267.396, 4
hi: mol2, SDF, SMILES, flexibase
2.83,6.39,-3.1,1,2,0, 266.388, 4
21983038
 
#99

ChemMol: 30100189
APIChem: AC-10206
Ark Pharm Building Blocks: AK-55592
Bosche Scientific: T18838
Indofine Natural Products: 19-875...12 total

ref: mol2, SDF, SMILES, flexibase
2.36,6.35,-36.38,1,4,1, 264.345, 4

Similar to: 33980101,
2083329
 
#100

Molport: MolPort-002-517-366
TCM Database @ Taiwan: 28812, tcm03_005235
AK Scientific: O723
Amadis Chemical: A846751
American Custom Chemicals Corp.: HBL0000072...39 total

ref: mol2, SDF, SMILES, flexibase
1.98,7.63,-40.21,1,3,1, 249.378, 0

Similar to: 3881785, 4023974, 4028737, 4028847, 4028848, ... 17 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 = 523 ) limit 0,100

Smiles were