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4792350
 
#1

eMolecules: 36095713
Specs Natural Products: AP-065/43441423
PubChem: 237620
ref: mol2, SDF, SMILES, flexibase
2.99,6.62,-44.23,2,5,-1, 349.447, 4
lo: mol2, SDF, SMILES, flexibase
2.99,5.16,-6.28,3,5,0, 350.455, 4

Similar to: 17301557, 17301559, 17301561, 17301563, ... 4 in total.
71404307
 
#2

Specs Natural Products: AK-693/43460808
ref: mol2, SDF, SMILES, flexibase
3.87,8.32,-10.8,1,3,0, 252.317, 0
mid: mol2, SDF, SMILES, flexibase
3.87,8.78,-37.42,2,3,1, 253.325, 0
71404306
 
#3

eMolecules: 44217360
Specs Natural Products: AK-693/43460805
ref: mol2, SDF, SMILES, flexibase
7.22,13.94,-8.03,0,2,0, 345.486, 3
71404305
 
#4

eMolecules: 44217360
Specs Natural Products: AK-693/43460805
ref: mol2, SDF, SMILES, flexibase
7.22,13.92,-7.64,0,2,0, 345.486, 3
71404304
 
#5

eMolecules: 45951878
Specs Natural Products: AK-693/43460801
ref: mol2, SDF, SMILES, flexibase
6.54,13.14,-15.8,0,6,0, 449.547, 11
71404303
 
#6

eMolecules: 36726895
Specs Natural Products: AK-693/43460760
ref: mol2, SDF, SMILES, flexibase
1.35,8.78,-20.94,0,10,0, 464.467, 7
71404302
 
#7

eMolecules: 36726895
Specs Natural Products: AK-693/43460760
ref: mol2, SDF, SMILES, flexibase
1.35,8.74,-21.73,0,10,0, 464.467, 7
71404301
 
#8

eMolecules: 36726895
Specs Natural Products: AK-693/43460760
ref: mol2, SDF, SMILES, flexibase
1.35,8.63,-23.43,0,10,0, 464.467, 7
71404300
 
#9

eMolecules: 36095693
Specs Natural Products: AK-693/41507053
ref: mol2, SDF, SMILES, flexibase
3.75,7.69,-10.26,0,3,0, 239.274, 1
71404299
 
#10

eMolecules: 36726893
Specs Natural Products: AK-693/41507038
ref: mol2, SDF, SMILES, flexibase
-0.32,2.05,-10.92,2,7,0, 326.345, 2
71404298
 
#11

eMolecules: 36726893
Specs Natural Products: AK-693/41507038
ref: mol2, SDF, SMILES, flexibase
-0.32,2.09,-10.72,2,7,0, 326.345, 2
71404297
 
#12

eMolecules: 36726893
Specs Natural Products: AK-693/41507038
ref: mol2, SDF, SMILES, flexibase
-0.32,2,-18.84,2,7,0, 326.345, 2
71404296
 
#13

Specs Natural Products: AK-693/40962763
ref: mol2, SDF, SMILES, flexibase
7.57,15.99,-59.14,3,5,-1, 526.811, 7
71404295
 
#14

Specs Natural Products: AK-693/40962763
ref: mol2, SDF, SMILES, flexibase
7.57,15.96,-60.29,3,5,-1, 526.811, 7
71404294
 
#15

Specs Natural Products: AK-693/40962763
ref: mol2, SDF, SMILES, flexibase
7.57,16.04,-58.39,3,5,-1, 526.811, 7
71404293
 
#16

Specs Natural Products: AK-693/40962763
ref: mol2, SDF, SMILES, flexibase
7.57,16.06,-59.6,3,5,-1, 526.811, 7
71404292
 
#17

eMolecules: 36726889
Specs Natural Products: AK-693/40962762
ref: mol2, SDF, SMILES, flexibase
2.34,6.98,-12.82,0,6,0, 318.325, 2
71404291
 
#18

eMolecules: 36726889
Specs Natural Products: AK-693/40962762
ref: mol2, SDF, SMILES, flexibase
2.34,7.09,-21.9,0,6,0, 318.325, 2
71404290
 
#19

eMolecules: 36726889
Specs Natural Products: AK-693/40962762
ref: mol2, SDF, SMILES, flexibase
2.34,7.16,-11.72,0,6,0, 318.325, 2
71404289
 
#20

eMolecules: 36726889
Specs Natural Products: AK-693/40962762
ref: mol2, SDF, SMILES, flexibase
2.34,7.25,-22.58,0,6,0, 318.325, 2
71404288
 
#21

Specs Natural Products: AK-693/21141015
ref: mol2, SDF, SMILES, flexibase
7.68,13.91,-53.37,1,4,-1, 468.702, 5
71404287
 
#22

Specs Natural Products: AK-693/21141015
ref: mol2, SDF, SMILES, flexibase
7.68,13.9,-53.84,1,4,-1, 468.702, 5
71404286
 
#23

Specs Natural Products: AK-693/21141015
ref: mol2, SDF, SMILES, flexibase
7.68,13.86,-53.51,1,4,-1, 468.702, 5
71404285
 
#24

Specs Natural Products: AK-693/21141015
ref: mol2, SDF, SMILES, flexibase
7.68,13.84,-55.22,1,4,-1, 468.702, 5
6068779
 
#25

eMolecules: 10922914
Specs Natural Products: AK-693/21124018
ChEMBL12: CHEMBL53664
ChEMBL19: CHEMBL53664
ref: mol2, SDF, SMILES, flexibase
2.74,6.78,-56.39,1,5,-1, 297.286, 2
mid: mol2, SDF, SMILES, flexibase
2.74,6.08,-13.95,2,5,0, 298.294, 2
hi: mol2, SDF, SMILES, flexibase
2.74,7.4,-114.94,0,5,-2, 296.278, 2

Similar to: 36149375, 36149378, 36149381, 36149384, 36149440, ... 8 in total.
3581770
 
#26

eMolecules: 10922914
Specs Natural Products: AK-693/21124018
ref: mol2, SDF, SMILES, flexibase
2.74,6.77,-56.5,1,5,-1, 297.286, 2
mid: mol2, SDF, SMILES, flexibase
2.74,6.07,-14,2,5,0, 298.294, 2
hi: mol2, SDF, SMILES, flexibase
2.74,7.39,-114.96,0,5,-2, 296.278, 2

Similar to: 33814424, 33814425, 33814427, 36149375, 36149378, ... 11 in total.
5734433
 
#27

eMolecules: 6853135
TCM Database @ Taiwan: tcm03_001495
Specs Natural Products: AK-693/21124016
Individual Suppliers: ZINC05734433
ref: mol2, SDF, SMILES, flexibase
2.15,6.51,-42.25,0,5,-1, 259.237, 0
mid: mol2, SDF, SMILES, flexibase
2.15,5.68,-16.31,1,5,0, 260.245, 0

Similar to: 5762114,
39933103
 
#28

eMolecules: 26759364
Specs Natural Products: AC-907/21260029
ref: mol2, SDF, SMILES, flexibase
2.50,4.8,-5.44,1,2,0, 222.328, 0
4104699
 
#29

eMolecules: 26759348
Specs Natural Products: AC-907/21260009
ref: mol2, SDF, SMILES, flexibase
2.50,5.03,-6.95,1,2,0, 222.328, 0

Similar to: 19800967, 19800969, 32191139, 32191141, 32191143, ... 21 in total.
4104696
 
#30

eMolecules: 26759348
Specs Natural Products: AC-907/21260009
ref: mol2, SDF, SMILES, flexibase
2.50,5.11,-5.66,1,2,0, 222.328, 0

Similar to: 4104697, 4104698, 4104699, 19800967, 19800969, ... 20 in total.
4104692
 
#31

eMolecules: 26759346
Specs Natural Products: AC-907/21260007
ref: mol2, SDF, SMILES, flexibase
3.13,2.84,-4.44,2,2,0, 238.371, 0

Similar to: 4104693, 4104694, 4104695, 4104719, 4104720, ... 22 in total.
5453222
 
#32

Aronis: a01263
Specs Natural Products: AA-504/07224027
W&J PharmaChem: 100870
PubChem: 50990013, 68311398, 66634651, 191463
SureChEMBL: SCHEMBL255311...10 total

ref: mol2, SDF, SMILES, flexibase
7.62,12.59,-1.48,1,1,0, 386.664, 5
119434
 
#33

ChemMol: 30101121, 1030687
Molport: MolPort-001-742-519
TCM Database @ Taiwan: 31896, tcm03_007951
Acros Organics: 15895
AKOS: AKOS004906010...160 total

ref: mol2, SDF, SMILES, flexibase
1.84,8.17,-53.77,1,4,1, 335.427, 0

Similar to: 1319141, 4164459, 5273744, 5948574, 6094141, ... 16 in total.
392017
 
#34

ChemMol: 96707534, 1203344, 30100229
eMolecules: 533238
Molport: MolPort-000-871-567
Scientific Exchange (make on demand): M-283462
TCM Database @ Taiwan: 36610...112 total

ref: mol2, SDF, SMILES, flexibase
1.50,4.26,-48.19,0,4,-1, 181.167, 3
338406
 
#35

eMolecules: 7452029
TCM Database @ Taiwan: 35118
AKOS: AKOS004907164
MolMall (Depleted): 5525
MolMall (formerly Molecular Diversity Preservation International): 15572...16 total

ref: mol2, SDF, SMILES, flexibase
1.05,3.98,-41.48,2,3,1, 194.254, 1

Similar to: 34354509,
338403
 
#36

eMolecules: 8293696
Specs Natural Products: AP-123/40765218
ChemDB: 7654412
PubChem: 821493, 14138285, 46185067, 6947039
SureChEMBL: SCHEMBL14235276...9 total

ref: mol2, SDF, SMILES, flexibase
1.94,-2.05,-49.98,3,5,1, 328.388, 2

Similar to: 607997, 640247, 640249, 689672, 3632464, ... 24 in total.
338400
 
#37

eMolecules: 8293696
Specs Natural Products: AP-123/40765218
ChemDB: 7654412
PubChem: 177294, 46185067, 6947038, 14138285
SureChEMBL: SCHEMBL14235276...10 total

ref: mol2, SDF, SMILES, flexibase
1.94,-2.05,-50.1,3,5,1, 328.388, 2

Similar to: 607997, 640247, 640249, 689672, 3632464, ... 24 in total.
338392
 
#38

Specs Natural Products: AP-123/40765210
PubChem: 821489
Ambinter: Amb2614124
ref: mol2, SDF, SMILES, flexibase
1.49,0.75,-18.02,0,4,0, 283.327, 3

Similar to: 34542366, 34564561, 34612210, 39307384, ... 4 in total.
4104919
 
#39

eMolecules: 26759674
Specs Natural Products: AO-774/41465653
Individual Suppliers: ZINC04104919
PubChem: 11877532
Ambinter: Amb2614108...5 total

ref: mol2, SDF, SMILES, flexibase
-3.36,-13.77,-45.97,3,8,-1, 257.24, 3

Similar to: 6793130, 6793134, 6793138, 6793143, ... 4 in total.
338360
 
#40

eMolecules: 32231998
Specs Natural Products: AO-774/41465634
PubChem: 45033685, 40784509, 21144593, 821468
Ambinter: Amb2614103
ref: mol2, SDF, SMILES, flexibase
3.07,8.81,-36.4,2,4,1, 337.443, 2

Similar to: 4104912, 5733054, 32143901, 32143903, 32143905, ... 18 in total.
8382446
 
#41

Specs Natural Products: AO-774/41465633
PubChem: 11944664, 10575465, 45033684
Ambinter: Amb2614102
ref: mol2, SDF, SMILES, flexibase
3.85,1.1,-56.37,1,6,-1, 447.592, 6

Similar to: 25556584, 25556589, 25556592, 25556596, ... 21 in total.
19897771
 
#42

Specs Natural Products: AO-774/41465633
PubChem: 28434786, 45033684
Ambinter: Amb2614102
ref: mol2, SDF, SMILES, flexibase
3.85,9.52,-61.9,1,6,-1, 447.592, 6
lo: mol2, SDF, SMILES, flexibase
3.85,8.4,-19.44,2,6,0, 448.6, 6

Similar to: 625001, 4293054, 4293055, 4293058, 4293059, ... 9 in total.
8382427
 
#43

Specs Natural Products: AO-774/41465533
PubChem: 45033673, 11944653
SureChEMBL: SCHEMBL11230489
Ambinter: Amb2614088
ref: mol2, SDF, SMILES, flexibase
4.95,1.14,-52.24,1,5,-1, 433.609, 6

Similar to: 33719013, 33719014, 33719015, 33719016, 34633334, ... 25 in total.
19897768
 
#44

Specs Natural Products: AO-774/41465533
PubChem: 28434781, 45033673
Ambinter: Amb2614088
ref: mol2, SDF, SMILES, flexibase
4.95,10.31,-52.16,1,5,-1, 433.609, 6
lo: mol2, SDF, SMILES, flexibase
4.95,9.19,-12.66,2,5,0, 434.617, 6

Similar to: 642012, 4293066, 4293067, 4293068, 4293069, ... 9 in total.
4104893
 
#45

Specs Natural Products: AO-774/41465517
PubChem: 256740, 11877512
Ambinter: Amb2614079
ref: mol2, SDF, SMILES, flexibase
4.85,2.89,-52.25,0,4,-1, 375.529, 4

Similar to: 4104894, 6363503, 6363512, 6363529, 6363536, ... 13 in total.
4104892
 
#46

Specs Natural Products: AO-774/41465516
PubChem: 11877510
Ambinter: Amb2614078
ref: mol2, SDF, SMILES, flexibase
4.15,-0.86,-48.76,1,3,-1, 333.492, 2

Similar to: 27716052, 27716059,
689870
 
#47

eMolecules: 8293590
Specs Natural Products: AO-774/41465469
ChemDB: 6424378
PubChem: 6959344, 1023703
Ambinter: Amb2614069...6 total

ref: mol2, SDF, SMILES, flexibase
3.86,2.53,-47.92,1,7,1, 426.537, 10

Similar to: 4117923,
4104883
 
#48

Specs Natural Products: AO-774/41465442
ref: mol2, SDF, SMILES, flexibase
4.03,4.19,-11.59,0,5,0, 384.52, 4

Similar to: 4104880, 4104881, 4104882,
4104882
 
#49

Specs Natural Products: AO-774/41465442
ref: mol2, SDF, SMILES, flexibase
4.03,4.29,-11.66,0,5,0, 384.52, 4

Similar to: 4104883, 4104880, 4104881,
4104881
 
#50

Specs Natural Products: AO-774/41465442
ref: mol2, SDF, SMILES, flexibase
4.03,4.06,-12.38,0,5,0, 384.52, 4

Similar to: 4104882, 4104883, 4104880,
4104880
 
#51

Specs Natural Products: AO-774/41465442
ref: mol2, SDF, SMILES, flexibase
4.03,4.14,-11.25,0,5,0, 384.52, 4

Similar to: 4104881, 4104882, 4104883,
13423832
 
#52

Specs Natural Products: AO-774/41465417
ref: mol2, SDF, SMILES, flexibase
4.30,11.46,-12.46,0,5,0, 398.547, 5
4104860
 
#53

Specs Natural Products: AO-774/41465390
PubChem: 11877476
Ambinter: Amb2614047
ref: mol2, SDF, SMILES, flexibase
4.58,2.64,-54.74,0,4,-1, 361.502, 3

Similar to: 4531998, 4531999, 4532000, 4532001, 4831172, ... 39 in total.
4104839
 
#54

eMolecules: 26759482
Specs Natural Products: AN-566/21182009
PubChem: 7099958, 45033605, 354614
Ambinter: Amb2613998
ref: mol2, SDF, SMILES, flexibase
4.46,3.47,-57.15,0,4,-1, 359.486, 3

Similar to: 5664734, 5664735, 13423830, 14486105, 14486106, ... 15 in total.
4104838
 
#55

eMolecules: 26759482
Specs Natural Products: AN-566/21182009
PubChem: 7099956, 45033605, 354614
Ambinter: Amb2613998
ref: mol2, SDF, SMILES, flexibase
4.46,3.42,-57.1,0,4,-1, 359.486, 3

Similar to: 4104839, 5664734, 5664735, 13423830, 14486105, ... 15 in total.
338275
 
#56

ChemMol: 30101703, 98000387, 1203363, 83600740, 44034122
eMolecules: 533218
Molport: MolPort-000-871-610
Scientific Exchange (make on demand): F-452085
TCM Database @ Taiwan: 46318...165 total

ref: mol2, SDF, SMILES, flexibase
1.19,2.2,-46.94,1,4,-1, 167.14, 2

Similar to: 39348700,
265517
 
#57

AfroDb Natural Products: EA_0059
eMolecules: 5757520
Molport: MolPort-003-665-620
TCM Database @ Taiwan: tcm03_002269, 28761
AK Scientific: V0176...28 total

ref: mol2, SDF, SMILES, flexibase
2.87,4.42,-24.23,1,3,1, 200.217, 1
mid: mol2, SDF, SMILES, flexibase
2.87,3.38,-10.47,0,3,0, 199.209, 1

Similar to: 32267137, 39017234,
4029241
 
#58

ChemMol: 51501820
eMolecules: 4794783
IBScreen NP: STOCK1N-27242
Labotest: LT02857610
Mcule: MCULE-6853491476...19 total

ref: mol2, SDF, SMILES, flexibase
4.48,2,-34.19,1,3,1, 308.829, 4

Similar to: 6535416, 14983116, 14983119,
268191
 
#59

eMolecules: 6754329
Asinex: BAS02913269
BioBlocks: A1805/0076249
Chemical Block: A1805/0076249
Specs Natural Products: AK-968/36936068...11 total

ref: mol2, SDF, SMILES, flexibase
3.86,2.19,-35.2,1,4,1, 304.41, 5

Similar to: 343988, 518629, 526689, 526693, 4610458, ... 5 in total.
518629
 
#60

eMolecules: 6754329
Molport: MolPort-001-985-877
AKOS: AKOS000591294
Asinex: BAS02913269
BioBlocks: A1805/0076249...18 total

ref: mol2, SDF, SMILES, flexibase
3.86,2.04,-37.52,1,4,1, 304.41, 5

Similar to: 526689, 526693, 1081561, 1436731, 4610458, ... 7 in total.
49022543
 
#61

Specs Natural Products: AK-693/43417387
PubChem: 51055157
ref: mol2, SDF, SMILES, flexibase
7.23,16.04,-53.17,0,3,-1, 453.687, 5
lo: mol2, SDF, SMILES, flexibase
7.23,14.01,-9.48,1,3,0, 454.695, 5
35458152
 
#62

Specs Natural Products: AK-693/43417387
ChEMBL12: CHEMBL375860
ChEMBL19: CHEMBL375860
PubChem: 45783080, 51693593, 44421209, 11340012, 51055157
ref: mol2, SDF, SMILES, flexibase
7.23,16.06,-55.93,0,3,-1, 453.687, 5
lo: mol2, SDF, SMILES, flexibase
7.23,14.03,-9.61,1,3,0, 454.695, 5

Similar to: 35458156, 35458160, 40762229, 44681322, 44681325, ... 12 in total.
49022541
 
#63

Specs Natural Products: AK-693/43417387
PubChem: 51055157
ref: mol2, SDF, SMILES, flexibase
7.23,15.98,-53.24,0,3,-1, 453.687, 5
lo: mol2, SDF, SMILES, flexibase
7.23,13.93,-9.2,1,3,0, 454.695, 5
35458149
 
#64

Specs Natural Products: AK-693/43417387
ChEMBL12: CHEMBL375860
ChEMBL19: CHEMBL375860
PubChem: 51055157, 45783080, 51693591, 44421209
ref: mol2, SDF, SMILES, flexibase
7.23,15.98,-56.08,0,3,-1, 453.687, 5
lo: mol2, SDF, SMILES, flexibase
7.23,13.96,-9.56,1,3,0, 454.695, 5

Similar to: 35458152, 35458156, 35458160, 40762229, 44681322, ... 12 in total.
5734226
 
#65

eMolecules: 30553597
Specs Natural Products: AK-693/43417378
Leadscope via PubChem: LS-162734
PubChem: 73061, 5317763
Ambinter: Amb16200057...6 total

ref: mol2, SDF, SMILES, flexibase
3.23,-1.71,-33.67,3,6,1, 385.484, 3

Similar to: 14827787, 14827789, 14827790, 16939540, ... 5 in total.
5783606
 
#66

AfroDb Natural Products: EA_0057
eMolecules: 795796
TCM Database @ Taiwan: tcm03_000573
Specs Natural Products: AK-693/40962737
BindingDB.org: 50049390...22 total

ref: mol2, SDF, SMILES, flexibase
2.22,7.03,-69.48,0,5,-1, 284.291, 2
lo: mol2, SDF, SMILES, flexibase
2.22,6.09,-18.09,1,5,0, 285.299, 2

Similar to: 5932654, 6665651, 27870584, 34569165, 34569167, ... 7 in total.
5161554
 
#67

eMolecules: 29371789
Specs Natural Products: AK-693/40962732
Biocyc via PubChem: 13-DIHYDROXY-N-METHYLACRIDONE
ChEBI: CHEBI:30306
ChEMBL12: CHEMBL1288777...12 total

ref: mol2, SDF, SMILES, flexibase
1.90,4.12,-48.03,1,4,-1, 240.238, 0
mid: mol2, SDF, SMILES, flexibase
1.90,3.34,-13.74,2,4,0, 241.246, 0
mid: mol2, SDF, SMILES, flexibase
1.90,4.32,-64.35,1,4,-1, 240.238, 0

Similar to: 6523722,
4104814
 
#68

eMolecules: 26759456
Specs Natural Products: AK-693/40962729
PubChem: 40473508, 51055153
ref: mol2, SDF, SMILES, flexibase
1.51,-0.96,-63.55,2,6,1, 381.452, 1

Similar to: 13814920,
4104813
 
#69

eMolecules: 30553591
Specs Natural Products: AK-693/21212018
ChEMBL12: CHEMBL1513076
ChEMBL19: CHEMBL1513076
ChemDB: 6424170...7 total

ref: mol2, SDF, SMILES, flexibase
3.18,8.31,-47.3,0,3,-1, 245.298, 3

Similar to: 14559706, 14559709, 14559712,
402468
 
#70

eMolecules: 36095689
NCI Plated 2007: 26695
Specs Natural Products: AK-693/21212017
ChEMBL12: CHEMBL155771
ChEMBL19: CHEMBL155771...9 total

ref: mol2, SDF, SMILES, flexibase
3.38,7.78,-41.1,0,3,-1, 243.282, 3
mid: mol2, SDF, SMILES, flexibase
2.26,0.71,-9.17,0,3,0, 244.29, 3

Similar to: 32235303, 32235305,
8382358
 
#71

Specs Natural Products: AK-693/21212010
PubChem: 9496889, 45036078
Ambinter: Amb2613974
ref: mol2, SDF, SMILES, flexibase
7.18,4.18,-49.33,0,3,-1, 455.703, 6

Similar to: 33716449, 33716450, 33716451, 33716452, 33820862, ... 16 in total.
8382357
 
#72

Specs Natural Products: AK-693/21212010
PubChem: 9496887, 45036078
Ambinter: Amb2613974
ref: mol2, SDF, SMILES, flexibase
7.18,4.23,-49.5,0,3,-1, 455.703, 6

Similar to: 8382358, 33716449, 33716450, 33716451, 33716452, ... 16 in total.
4104811
 
#73

eMolecules: 36726869
Specs Natural Products: AK-693/21212004
PubChem: 20106061, 21139728, 21606634
ref: mol2, SDF, SMILES, flexibase
3.22,5.7,-36.33,3,3,1, 346.535, 2

Similar to: 8681822,
19816072
 
#74

Specs Natural Products: AK-693/21164004
ChemDB: 6424159
PubChem: 4429246
Ambinter: Amb8439820
ref: mol2, SDF, SMILES, flexibase
3.03,4.16,-13.94,0,5,0, 337.375, 2

Similar to: 6453900,
13827498
 
#75

Specs Natural Products: AK-693/21159019
PubChem: 58618988, 44188085, 16760029
SureChEMBL: SCHEMBL10214465, SCHEMBL4453980, SCHEMBL9110960
Ambinter: Amb21855697
ref: mol2, SDF, SMILES, flexibase
7.04,12.22,-51.25,1,3,-1, 455.703, 2
lo: mol2, SDF, SMILES, flexibase
7.04,10.34,-5.67,2,3,0, 456.711, 2
4097714
 
#76

TCM Database @ Taiwan: 28666, tcm03_000887
AKOS: AKOS015920276
American Custom Chemicals Corp.: API0005116
Ark Pharm Building Blocks: AK-72848
BePharm Building Blocks: B1981...122 total

ref: mol2, SDF, SMILES, flexibase
7.04,12.1,-48.88,1,3,-1, 455.703, 2
lo: mol2, SDF, SMILES, flexibase
7.04,10.34,-5.48,2,3,0, 456.711, 2

Similar to: 4102271, 4716552, 4995154, 4995155, 4995156, ... 53 in total.
898358
 
#77

eMolecules: 10142489
TCM Database @ Taiwan: tcm03_000175
Specs Natural Products: AK-693/21124020
ChEBI: CHEBI:2444
ChEMBL12: CHEMBL518088...19 total

ref: mol2, SDF, SMILES, flexibase
2.57,-3.04,-57.52,3,5,1, 312.345, 1

Similar to: 1728555, 8829782, 34578224, 34644988, ... 4 in total.
38661073
 
#78

eMolecules: 30553585
UEFS Natural Products: uefs-82
Ark Pharm Building Blocks: AK104333
Bide Pharmatech BB: BD235872
Specs Natural Products: AK-693/21124006...10 total

ref: mol2, SDF, SMILES, flexibase
5.49,12,-107.45,1,5,-2, 484.677, 2
mid: mol2, SDF, SMILES, flexibase
5.49,10.31,-48.34,2,5,-1, 485.685, 2
lo: mol2, SDF, SMILES, flexibase
5.49,8.55,-6.69,3,5,0, 486.693, 2

Similar to: 38515356,
38661071
 
#79

eMolecules: 30553585
Specs Natural Products: AK-693/21124006
PubChem: 10368165, 51055150
Ambinter: Amb16200037
ref: mol2, SDF, SMILES, flexibase
5.49,11.92,-105.25,1,5,-2, 484.677, 2
mid: mol2, SDF, SMILES, flexibase
5.49,10.17,-49.05,2,5,-1, 485.685, 2
lo: mol2, SDF, SMILES, flexibase
5.49,8.31,-7.18,3,5,0, 486.693, 2

Similar to: 38515356,
38661069
 
#80

eMolecules: 30553585
Ark Pharm Building Blocks: AK104333
Bide Pharmatech BB: BD235872
Specs Natural Products: AK-693/21124006
Bitter DB: 453...14 total

ref: mol2, SDF, SMILES, flexibase
5.49,12.09,-111.27,1,5,-2, 484.677, 2
mid: mol2, SDF, SMILES, flexibase
5.49,10.28,-47.65,2,5,-1, 485.685, 2
lo: mol2, SDF, SMILES, flexibase
5.49,8.52,-6.83,3,5,0, 486.693, 2

Similar to: 38515356,
38661068
 
#81

eMolecules: 30553585
Specs Natural Products: AK-693/21124006
PubChem: 10368165, 51055150
Ambinter: Amb16200037
ref: mol2, SDF, SMILES, flexibase
5.49,12.43,-111.58,1,5,-2, 484.677, 2
mid: mol2, SDF, SMILES, flexibase
5.49,10.66,-55.83,2,5,-1, 485.685, 2
lo: mol2, SDF, SMILES, flexibase
5.49,8.69,-7.73,3,5,0, 486.693, 2

Similar to: 38515356,
6418967
 
#82

eMolecules: 26759418
Specs Natural Products: AK-693/21087002
ChemDB: 5262264
PubChem: 375957, 4332940, 40612770, 375953
Ambinter: Amb10845346...8 total

ref: mol2, SDF, SMILES, flexibase
5.40,0.17,-42.22,3,5,1, 408.518, 4

Similar to: 34656716, 4098020, 6418965, 6418966, ... 4 in total.
4098020
 
#83

AfroDb Natural Products: EA_0039
eMolecules: 26759418
TCM Database @ Taiwan: 33189
Specs Natural Products: AK-693/21087002
ChemDB: 5262264...14 total

ref: mol2, SDF, SMILES, flexibase
5.40,-0.05,-42.1,3,5,1, 408.518, 4

Similar to: 6418965, 6418966, 6418967, 34656716, ... 4 in total.
338223
 
#84

eMolecules: 874103
TCM Database @ Taiwan: 41232, tcm03_004828
Specs Natural Products: AK-198/11618045
Biocyc via PubChem: CPD-8924
ChEBI: CHEBI:76001...33 total

ref: mol2, SDF, SMILES, flexibase
2.68,6.97,-47.85,2,5,1, 344.431, 5
mid: mol2, SDF, SMILES, flexibase
2.68,5.21,-10.23,1,5,0, 343.423, 5

Similar to: 621828, 621833, 640264, 640266, 4610556, ... 12 in total.
338225
 
#85

eMolecules: 874103
Specs Natural Products: AK-198/11618045
Toronto Research Chemicals: L178500
Biocyc via PubChem: CPD-8924
ChEBI: CHEBI:75999...33 total

ref: mol2, SDF, SMILES, flexibase
2.68,6.94,-50.42,2,5,1, 344.431, 5
mid: mol2, SDF, SMILES, flexibase
2.68,5.24,-10.73,1,5,0, 343.423, 5

Similar to: 621828, 621833, 640264, 640266, 4610556, ... 12 in total.
338208
 
#86

ChemMol: 1032085, 30116260
eMolecules: 503529
Molport: MolPort-001-794-393
Acros Organics: 11543
AK Scientific: H186...83 total

ref: mol2, SDF, SMILES, flexibase
1.97,3.49,-55.19,0,4,-1, 181.167, 3

Similar to: 1555724, 4787060, 32266568, 39648675, 44199131, ... 5 in total.
162391
 
#87

ChemMol: 30101493, 97800037, 44012928
eMolecules: 485313
Molport: MolPort-000-880-977
Scientific Exchange (make on demand): K-087714
TCM Database @ Taiwan: 39622...89 total

ref: mol2, SDF, SMILES, flexibase
1.90,1.48,-51.25,1,4,-1, 167.14, 2

Similar to: 3978493, 34618082,
1669260
 
#88

eMolecules: 26416986, 724077, 439941, 31660735
Molport: MolPort-001-757-040, MolPort-002-679-133
Scientific Exchange (make on demand): C-096668
AK Scientific: 7398AC
AKOS: AKOS015833098...75 total

ref: mol2, SDF, SMILES, flexibase
1.38,3.56,-31.36,2,2,1, 170.276, 1

Similar to: 3881368, 4082602, 5748888, 34549110, ... 7 in total.
490789
 
#89

eMolecules: 724077
Molport: MolPort-001-757-040
Scientific Exchange (make on demand): C-096668
AK Scientific: 7398AC
AKOS: AKOS015840860...52 total

ref: mol2, SDF, SMILES, flexibase
1.38,3.55,-31.72,2,2,1, 170.276, 1

Similar to: 518567, 3881368, 4082602, 5748888, ... 6 in total.
18286095
 
#90

ChemMol: 51501852, 97601765
eMolecules: 1936123, 4368780
Molport: MolPort-002-506-916, MolPort-002-933-121
TCM Database @ Taiwan: tcm03_006669, tcm03_008806
UEFS Natural Products: uefs-242...72 total

ref: mol2, SDF, SMILES, flexibase
1.04,3.34,-26.34,2,3,1, 189.238, 0
ref: mol2, SDF, SMILES, flexibase
1.04,3.34,-26.08,2,3,1, 189.238, 0
hi: mol2, SDF, SMILES, flexibase
1.04,2.91,-8.05,1,3,0, 188.23, 0

Similar to: 5768339, 4098855,
4984609
 
#91

eMolecules: 2013016
Molport: MolPort-002-139-528
ChemBridge: 5248305
Mcule: MCULE-9526320163
Specs Natural Products: AG-690/08413001...17 total

ref: mol2, SDF, SMILES, flexibase
4.59,1.25,-37.65,1,3,1, 353.28, 4

Similar to: 3996161,
3996161
 
#92

eMolecules: 35779358, 2013016, 4783062
Molport: MolPort-001-662-885, MolPort-002-139-528
AKOS: AKOS003793325
ChemBridge: 5248305
IBScreen NP: STOCK1N-02297...34 total

ref: mol2, SDF, SMILES, flexibase
4.59,1.39,-35.22,1,3,1, 353.28, 4

Similar to: 4984609, 13425022, 13425023,
4104767
 
#93

Specs Natural Products: AE-848/21020030
ChemDB: 6424082
PubChem: 45033559, 4259349, 6566061
Ambinter: Amb2613922
ref: mol2, SDF, SMILES, flexibase
3.81,9.31,-7.04,1,9,0, 364.354, 5

Similar to: 4104768, 38269155,
4104768
 
#94

Specs Natural Products: AE-848/21020030
ChemDB: 6424082
PubChem: 45033559, 4259349, 11877438
Ambinter: Amb2613922
ref: mol2, SDF, SMILES, flexibase
3.81,9.09,-7.29,1,9,0, 364.354, 5

Similar to: 38269155, 4104767,
4104765
 
#95

Molport: MolPort-002-153-081
ChemBridge: 5486445
Mcule: MCULE-4730216474
Specs Natural Products: AE-848/21020024
ChemDB: 4291684...12 total

ref: mol2, SDF, SMILES, flexibase
4.43,11.26,-5.65,0,9,0, 378.381, 6

Similar to: 4104766, 12384152, 16667213, 34553685, 34655098, ... 8 in total.
4104766
 
#96

Molport: MolPort-002-153-081
ChemBridge: 5486445
Mcule: MCULE-4730216474
Specs Natural Products: AE-848/21020024
ChemDB: 4291684...12 total

ref: mol2, SDF, SMILES, flexibase
4.43,11.19,-5.78,0,9,0, 378.381, 6

Similar to: 12384152, 16667213, 34553685, 34655098, 38280883, ... 8 in total.
5037452
 
#97

eMolecules: 8293332
Specs Natural Products: AE-848/20954002
ChemDB: 6424080, 4564700
PubChem: 11877436, 3750582
SMDC Public: 83626...8 total

ref: mol2, SDF, SMILES, flexibase
1.54,7.23,-22.71,1,10,0, 412.402, 5
hi: mol2, SDF, SMILES, flexibase
2.00,5.15,-56.67,0,10,-1, 411.394, 5

Similar to: 8672997, 8672998, 15890120, 15890123, 16041012, ... 15 in total.
5037451
 
#98

eMolecules: 8293332
Specs Natural Products: AE-848/20954002
ChemDB: 6424080, 4564700
PubChem: 11877435, 3750582
SMDC Public: 83626...8 total

ref: mol2, SDF, SMILES, flexibase
1.54,7.48,-24.23,1,10,0, 412.402, 5
hi: mol2, SDF, SMILES, flexibase
2.00,5.42,-59.76,0,10,-1, 411.394, 5

Similar to: 5037452, 8672997, 8672998, 15890120, 15890123, ... 9 in total.
8672998
 
#99

eMolecules: 8293332
Specs Natural Products: AE-848/20954002
ChemDB: 6424080, 4564700
PubChem: 11877434, 3750582
SMDC Public: 83626...8 total

ref: mol2, SDF, SMILES, flexibase
1.54,7.2,-24.63,1,10,0, 412.402, 5
hi: mol2, SDF, SMILES, flexibase
2.00,5.13,-59.83,0,10,-1, 411.394, 5

Similar to: 15890120, 15890123, 16041012, 36454063, ... 10 in total.
8672997
 
#100

eMolecules: 8293332
Specs Natural Products: AE-848/20954002
ChemDB: 6424080, 4564700
PubChem: 11877433, 3750582
SMDC Public: 83626...8 total

ref: mol2, SDF, SMILES, flexibase
1.54,7.33,-27.41,1,10,0, 412.402, 5
hi: mol2, SDF, SMILES, flexibase
2.00,5.22,-67.2,0,10,-1, 411.394, 5

Similar to: 8672998, 15890120, 15890123, 16041012, 36454063, ... 10 in total.

Old detail retrieval took 2 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 = 521 ) limit 0,100

Smiles were