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71877958
 
#1

AnalytiCon Discovery NP: NP-012785
ref: mol2, SDF, SMILES, flexibase
5.94,11.31,-56.82,1,4,-1, 469.686, 2
lo: mol2, SDF, SMILES, flexibase
5.94,9.31,-9.84,2,4,0, 470.694, 2
71877957
 
#2

AnalytiCon Discovery NP: NP-012785
ref: mol2, SDF, SMILES, flexibase
5.94,11.42,-58.3,1,4,-1, 469.686, 2
lo: mol2, SDF, SMILES, flexibase
5.94,9.42,-10.52,2,4,0, 470.694, 2
71877954
 
#3

AnalytiCon Discovery NP: NP-011823
ChEBI: CHEBI:71529
ChEMBL19: CHEMBL2386969
Lipidomics: LMPR0106150017
ref: mol2, SDF, SMILES, flexibase
4.51,9.94,-106.49,2,6,-2, 500.676, 2
71877953
 
#4

AnalytiCon Discovery NP: NP-011823
ref: mol2, SDF, SMILES, flexibase
4.51,9.11,-114.25,2,6,-2, 500.676, 2
71877946
 
#5

AnalytiCon Discovery NP: NP-009409
ref: mol2, SDF, SMILES, flexibase
5.87,13.38,-27.11,0,5,0, 414.542, 6

Similar to: 43510824,
71877927
 
#6

AnalytiCon Discovery NP: NP-003081
Individual Suppliers: C71877927
ref: mol2, SDF, SMILES, flexibase
3.88,13.63,-19.84,0,10,0, 560.64, 6
71877926
 
#7

AnalytiCon Discovery NP: NP-003081
ref: mol2, SDF, SMILES, flexibase
3.88,13.86,-17.29,0,10,0, 560.64, 6
31440816
 
#8

TCM Database @ Taiwan: tcm03_004206
AnalytiCon Discovery NP: NP-002648
PubChem: 153937, 68210772
SureChEMBL: SCHEMBL12181563
ref: mol2, SDF, SMILES, flexibase
5.84,9.16,-46.53,2,4,-1, 471.702, 1
lo: mol2, SDF, SMILES, flexibase
5.84,7.41,-5.58,3,4,0, 472.71, 1
71877922
 
#9

AnalytiCon Discovery NP: NP-002648
PubChem: 68210772
SureChEMBL: SCHEMBL12181563
ref: mol2, SDF, SMILES, flexibase
5.84,9.27,-49.49,2,4,-1, 471.702, 1
lo: mol2, SDF, SMILES, flexibase
5.84,7.32,-5.94,3,4,0, 472.71, 1
71877908
 
#10

AnalytiCon Discovery NP: NP-001527
ref: mol2, SDF, SMILES, flexibase
4.95,11.43,-10,1,3,0, 454.695, 0
71877907
 
#11

AnalytiCon Discovery NP: NP-001527
ref: mol2, SDF, SMILES, flexibase
4.95,11.49,-10.55,1,3,0, 454.695, 0
71877906
 
#12

AnalytiCon Discovery NP: NP-001049
ref: mol2, SDF, SMILES, flexibase
4.93,7.02,-54.07,3,5,-1, 487.701, 1
lo: mol2, SDF, SMILES, flexibase
4.93,5.08,-9.2,4,5,0, 488.709, 1
71877897
 
#13

AnalytiCon Discovery NP: NP-000468
ref: mol2, SDF, SMILES, flexibase
5.29,13.26,-57.87,2,9,-1, 619.816, 8
71877895
 
#14

AnalytiCon Discovery NP: NP-000468
ref: mol2, SDF, SMILES, flexibase
5.29,11.74,-56.12,2,9,-1, 619.816, 8
71877894
 
#15

AnalytiCon Discovery NP: NP-000468
ref: mol2, SDF, SMILES, flexibase
5.29,12.6,-55.42,2,9,-1, 619.816, 8
71877892
 
#16

AnalytiCon Discovery NP: NP-000468
ref: mol2, SDF, SMILES, flexibase
5.29,12.41,-59.3,2,9,-1, 619.816, 8
35000723
 
#17

AnalytiCon Discovery NP: NP-013477
ChEMBL19: CHEMBL2374970
PubChem: 16072071
ref: mol2, SDF, SMILES, flexibase
4.23,12.51,-17.21,0,5,0, 450.575, 3

Similar to: 14487784, 14487785, 14487787, 14487789, 17139922, ... 9 in total.
31495483
 
#18

AnalytiCon Discovery NP: NP-013477
BindingDB.org: 92410
ChEBI: CHEBI:67280
ChEMBL12: CHEMBL1215754
ChEMBL19: CHEMBL1215754...9 total

ref: mol2, SDF, SMILES, flexibase
4.23,12.51,-15.89,0,5,0, 450.575, 3

Similar to: 14487784, 14487785, 14487787, 14487789, 17139922, ... 9 in total.
38935870
 
#19

AnalytiCon Discovery NP: NP-009571
Mcule: MCULE-6674525093
Pharmeks: PHAR052212
MicroSource Spectrum: 01505484
PubChem: 51897829...7 total

ref: mol2, SDF, SMILES, flexibase
8.29,11.94,-1.06,1,1,0, 426.729, 1
4081458
 
#20

Molport: MolPort-002-525-934
AnalytiCon Discovery NP: NP-009571
IBScreen NP: STOCK1N-52314
PubChem: 11876092
Ambinter: Amb559919...5 total

ref: mol2, SDF, SMILES, flexibase
8.34,2.31,-1.39,1,1,0, 426.729, 1

Similar to: 4081461, 4098300, 4831196, 4831197, 4831198, ... 41 in total.
38140516
 
#21

ChemMol: 30101527, 44002014
TCM Database @ Taiwan: tcm03_006471, 27477
AKOS: AKOS004907385
Alfa-Aesar: H60445
American Custom Chemicals Corp.: HBL0000180...96 total

ref: mol2, SDF, SMILES, flexibase
6.73,12.27,-52.74,1,3,-1, 455.703, 1
lo: mol2, SDF, SMILES, flexibase
6.73,10.3,-5.37,2,3,0, 456.711, 1
38140517
 
#22

AKOS: AKOS004907385
AnalytiCon Discovery NP: NP-002608
MolMall (Depleted): 5792, 9761
MolMall (formerly Molecular Diversity Preservation International): 19257, 15848
BindingDB.org: 50079577...14 total

ref: mol2, SDF, SMILES, flexibase
6.73,12.26,-51.96,1,3,-1, 455.703, 1
lo: mol2, SDF, SMILES, flexibase
6.73,10.34,-5.98,2,3,0, 456.711, 1
43552893
 
#23

AnalytiCon Discovery NP: NP-001049
ChEMBL12: CHEMBL223484
ChEMBL19: CHEMBL223484
Leadscope via PubChem: LS-175426
PubChem: 73645...5 total

ref: mol2, SDF, SMILES, flexibase
4.93,6.65,-46.63,3,5,-1, 487.701, 1
lo: mol2, SDF, SMILES, flexibase
4.93,4.94,-7.87,4,5,0, 488.709, 1

Similar to: 43574732,
38349969
 
#24

Molport: MolPort-021-783-255
TCM Database @ Taiwan: 26472, 36485
AK Scientific: W2509
AKOS: AKOS004907394
American Custom Chemicals Corp.: PXT0000269...48 total

ref: mol2, SDF, SMILES, flexibase
5.81,9.73,-53.6,2,4,-1, 471.702, 1
lo: mol2, SDF, SMILES, flexibase
5.81,7.75,-7.1,3,4,0, 472.71, 1
39738221
 
#25

TCM Database @ Taiwan: 31629
AKOS: AKOS004907394
AnalytiCon Discovery NP: NP-000749
MolMall (Depleted): 5793
MolMall (formerly Molecular Diversity Preservation International): 15849...8 total

ref: mol2, SDF, SMILES, flexibase
5.81,9.72,-57.89,2,4,-1, 471.702, 1
lo: mol2, SDF, SMILES, flexibase
5.81,7.76,-8.84,3,4,0, 472.71, 1

Similar to: 4273445, 4273446, 12868514, 14980264, 14980267, ... 9 in total.
4098238
 
#26

eMolecules: 29909217
Molport: MolPort-001-740-173
AnalytiCon Discovery NP: NP-000008
BindingDB.org: 50009647
ChEBI: CHEBI:27725...21 total

ref: mol2, SDF, SMILES, flexibase
1.71,0.27,-10.79,3,5,0, 272.256, 1

Similar to: 6018546, 6018553, 6582975, 6582976, ... 9 in total.
898768
 
#27

eMolecules: 29909217
Molport: MolPort-001-740-173
TCM Database @ Taiwan: 31204, tcm03_001025
AnalytiCon Discovery NP: NP-000008
ChemDB: 6918868...11 total

ref: mol2, SDF, SMILES, flexibase
1.71,0.26,-10.97,3,5,0, 272.256, 1

Similar to: 4098238, 6582975, 6582976,
35525
 
#28

AfroDb Natural Products: EA_0058, NPR_000143
eMolecules: 709090
TCM Database @ Taiwan: tcm03_007768
UEFS Natural Products: uefs-105, uefs-123
AKOS: AKOS004111157...43 total

ref: mol2, SDF, SMILES, flexibase
2.69,2.82,-14.24,0,5,0, 259.261, 3
mid: mol2, SDF, SMILES, flexibase
2.69,3.88,-24.01,1,5,1, 260.269, 3

Similar to: 5998737,
898052
 
#29

AfroDb Natural Products: SA_0060
eMolecules: 5755265
AK Scientific: W1006
AnalytiCon Discovery NP: NP-000090
NCI Plated 2007: 103003...23 total

ref: mol2, SDF, SMILES, flexibase
2.69,0.12,-13.78,0,3,0, 220.231, 0
lo: mol2, SDF, SMILES, flexibase
2.69,0.2,-48.83,1,3,1, 221.239, 0

Similar to: 14517259, 35904909, 38436298,
1668768
 
#30

eMolecules: 594529
Molport: MolPort-001-740-215
TCM Database @ Taiwan: 25837
AK Scientific: I575
AnalytiCon Discovery NP: NP-000091...42 total

ref: mol2, SDF, SMILES, flexibase
3.69,5.87,-10.17,0,6,0, 354.358, 2

Similar to: 33831170, 33831171, 33831172, 33833330, 33833331, ... 8 in total.
13838505
 
#31

eMolecules: 206845138
Molport: MolPort-001-740-217
TCM Database @ Taiwan: 28397, tcm03_004353
AnalytiCon Discovery NP: NP-000093
BOC Sciences BB: 18836-52-7...19 total

ref: mol2, SDF, SMILES, flexibase
4.26,7.97,-6.54,1,2,0, 223.36, 8

Similar to: 33844653, 34457874,
13660217
 
#32

eMolecules: 25718097
Molport: MolPort-001-739-220
AnalytiCon Discovery NP: NP-000118
Alfa Chemistry (Depleted): ACM58523301
ChEBI: CHEBI:64535...17 total

ref: mol2, SDF, SMILES, flexibase
0.36,-1.14,-19.44,4,9,0, 431.441, 7
mid: mol2, SDF, SMILES, flexibase
0.54,-3.91,-68.33,3,9,-1, 430.433, 7

Similar to: 17130822, 17130824, 33953895, 33965104, 33965105, ... 8 in total.
13660219
 
#33

eMolecules: 25718197, 25718097
Molport: MolPort-001-739-220, MolPort-001-739-332
AnalytiCon Discovery NP: NP-000118
AnalytiCon Discovery NP (Depleted): NP-001509
ChEMBL12: CHEMBL1562435...16 total

ref: mol2, SDF, SMILES, flexibase
0.36,-1.59,-16.07,4,9,0, 431.441, 7
mid: mol2, SDF, SMILES, flexibase
0.54,-4.41,-64.35,3,9,-1, 430.433, 7

Similar to: 17130822, 17130824, 33953895, 33965104, 33965105, ... 8 in total.
14760999
 
#34

eMolecules: 23909591
Molport: MolPort-001-739-227
AnalytiCon Discovery NP: NP-000142
Sigma Aldrich (Building Blocks): SMB00053|SIGMA
ChEMBL12: CHEMBL61045...9 total

ref: mol2, SDF, SMILES, flexibase
2.87,-0.14,-19.98,4,7,0, 318.281, 4
hi: mol2, SDF, SMILES, flexibase
2.87,1.41,-128.61,2,7,-2, 316.265, 4
hi: mol2, SDF, SMILES, flexibase
2.87,0.63,-57.66,3,7,-1, 317.273, 4

Similar to: 32264087, 38237697,
13660257
 
#35

eMolecules: 23909593
Molport: MolPort-001-739-228
AnalytiCon Discovery NP: NP-000143
ChEMBL12: CHEMBL1387766
ChEMBL19: CHEMBL1387766...9 total

ref: mol2, SDF, SMILES, flexibase
3.41,2,-19.84,3,7,0, 332.308, 5
hi: mol2, SDF, SMILES, flexibase
3.41,2.77,-57.3,2,7,-1, 331.3, 5
hi: mol2, SDF, SMILES, flexibase
3.41,3.55,-128.94,1,7,-2, 330.292, 5

Similar to: 38230427, 38241812, 38494958, 38620188, 38783613, ... 7 in total.
14761004
 
#36

eMolecules: 23909595
Molport: MolPort-001-739-229
AnalytiCon Discovery NP: NP-000145
PubChem: 23983701
Ambinter: Amb8397730...5 total

ref: mol2, SDF, SMILES, flexibase
3.48,4.06,-17.25,2,7,0, 346.335, 6

Similar to: 38230427, 38241812, 38421544, 38494958, 38620188, ... 9 in total.
13367860
 
#37

eMolecules: 25718107
Molport: MolPort-005-943-995
AnalytiCon Discovery NP: NP-000151
ChemDB: 7235487
PubChem: 45359141...7 total

ref: mol2, SDF, SMILES, flexibase
3.36,2.8,-14.4,3,6,0, 429.557, 2

Similar to: 33971954, 33971955, 33971956, 39034011, 43509582, ... 20 in total.
13367866
 
#38

eMolecules: 25718107
Molport: MolPort-005-943-995
AnalytiCon Discovery NP: NP-000151
ChemDB: 7235487
PubChem: 10477748...7 total

ref: mol2, SDF, SMILES, flexibase
3.36,2.59,-15.61,3,6,0, 429.557, 2

Similar to: 39034011, 43509582, 43509585,
119988
 
#39

AfroDb Natural Products: WA_0024
ChemMol: 30104000
eMolecules: 734433, 504042
Molport: MolPort-001-740-232
TCM Database @ Taiwan: tcm03_002727...162 total

ref: mol2, SDF, SMILES, flexibase
1.37,-4.31,-13.19,5,6,0, 290.271, 1

Similar to: 6483714, 14436215, 32221698, 32221699, 32221700, ... 18 in total.
14828379
 
#40

eMolecules: 25719155
Molport: MolPort-001-740-239
AnalytiCon Discovery NP: NP-000192
PubChem: 26252219, 23900000
The Broad via PubChem: BRD-A23177494-001-01-7...6 total

ref: mol2, SDF, SMILES, flexibase
1.81,4.77,-16.32,2,8,0, 392.404, 8

Similar to: 38558357, 43510021, 4098206,
4098206
 
#41

eMolecules: 25719155
Molport: MolPort-001-740-239
TCM Database @ Taiwan: 47905, tcm03_008835
AnalytiCon Discovery NP: NP-000192
Sigma Aldrich (Building Blocks): SMB00117|SIGMA...13 total

ref: mol2, SDF, SMILES, flexibase
1.81,4.03,-16.4,2,8,0, 392.404, 8

Similar to: 14828375, 14828379, 38321633, 38558357, 43510021, ... 8 in total.
4096845
 
#42

ChemMol: 44006140, 30107864
eMolecules: 485752
Molport: MolPort-001-740-247
TCM Database @ Taiwan: 26080
AK Scientific: W1696...63 total

ref: mol2, SDF, SMILES, flexibase
-0.36,-9.94,-19.35,8,12,0, 464.379, 4

Similar to: 4098556, 4175638, 4349341, 4349347, 4349354, ... 48 in total.
13660035
 
#43

AnalytiCon Discovery NP: NP-000223
PubChem: 25837666
ref: mol2, SDF, SMILES, flexibase
-0.06,-6.41,-8.79,6,8,0, 390.473, 5

Similar to: 35454662, 35454665, 35454669, 35454673, 36467312, ... 5 in total.
13660037
 
#44

AnalytiCon Discovery NP: NP-000223
PubChem: 25837668
ref: mol2, SDF, SMILES, flexibase
-0.06,-6.38,-8.52,6,8,0, 390.473, 5

Similar to: 35454662, 35454665, 35454669, 35454673, 36467312, ... 5 in total.
13660040
 
#45

AnalytiCon Discovery NP: NP-000223
PubChem: 25837670
ref: mol2, SDF, SMILES, flexibase
-0.06,-6.42,-9.38,6,8,0, 390.473, 5

Similar to: 35454662, 35454665, 35454669, 35454673, 36467312, ... 5 in total.
13660042
 
#46

AnalytiCon Discovery NP: NP-000223
PubChem: 25837672
ref: mol2, SDF, SMILES, flexibase
-0.06,-6.49,-9.4,6,8,0, 390.473, 5

Similar to: 35454662, 35454665, 35454669, 35454673, 36467312, ... 5 in total.
13660199
 
#47

AnalytiCon Discovery NP: NP-000226
PubChem: 25837772
ref: mol2, SDF, SMILES, flexibase
-0.24,-3.93,-10.33,5,8,0, 388.457, 5
13660201
 
#48

AnalytiCon Discovery NP: NP-000226
PubChem: 25837774
ref: mol2, SDF, SMILES, flexibase
-0.24,-4.01,-9.94,5,8,0, 388.457, 5
13660204
 
#49

AnalytiCon Discovery NP: NP-000226
PubChem: 25837776
ref: mol2, SDF, SMILES, flexibase
-0.24,-4.04,-11.16,5,8,0, 388.457, 5
13660208
 
#50

AnalytiCon Discovery NP: NP-000226
PubChem: 25837779
ref: mol2, SDF, SMILES, flexibase
-0.24,-4.11,-10.37,5,8,0, 388.457, 5
2585551
 
#51

eMolecules: 6857889
Molport: MolPort-001-740-263
AnalytiCon Discovery NP: NP-000247
BindingDB.org: 50361380
ChEMBL12: CHEMBL1173444...15 total

ref: mol2, SDF, SMILES, flexibase
1.81,3.81,-18.2,2,6,0, 304.298, 4

Similar to: 5158323, 5158381, 6091639, 6091640, 35801502, ... 7 in total.
1568212
 
#52

eMolecules: 6857889
Molport: MolPort-016-638-332, MolPort-001-740-263
TCM Database @ Taiwan: tcm03_003796, 25753
AnalytiCon Discovery NP: NP-000247
Sequoia Research Products: UNNAMED00000137...23 total

ref: mol2, SDF, SMILES, flexibase
1.81,3.06,-18.79,2,6,0, 304.298, 4

Similar to: 2585551, 5158323, 5158381, 6091639, 6091640, ... 7 in total.
477939
 
#53

eMolecules: 1264482
TCM Database @ Taiwan: 25795, tcm03_006550, 43785
AKOS: AKOS003601375
AnalytiCon Discovery NP: NP-000248
Mcule: MCULE-8387217181...17 total

ref: mol2, SDF, SMILES, flexibase
1.81,2.72,-12.47,2,6,0, 304.298, 4

Similar to: 5357374, 5357492, 5759128, 5761376, 5846714, ... 13 in total.
477938
 
#54

eMolecules: 1264482
TCM Database @ Taiwan: 25777, 33793
AKOS: AKOS003601375
AnalytiCon Discovery NP: NP-000248
BOC Sciences BB: 2643-85-8...29 total

ref: mol2, SDF, SMILES, flexibase
1.81,3.44,-12.61,2,6,0, 304.298, 4

Similar to: 5357374, 5357492, 5759128, 5761376, 5846714, ... 13 in total.
1583490
 
#55

eMolecules: 23112948
Molport: MolPort-001-740-266
AnalytiCon Discovery NP: NP-000251
ChEMBL12: CHEMBL1348986
ChEMBL19: CHEMBL1348986...12 total

ref: mol2, SDF, SMILES, flexibase
4.16,10.83,-21.37,0,5,0, 326.348, 5

Similar to: 34423897, 34423899,
1583492
 
#56

eMolecules: 23112948
Molport: MolPort-001-740-266
AnalytiCon Discovery NP: NP-000251
NCI Plated 2007: 356887
ChEMBL12: CHEMBL1348986...13 total

ref: mol2, SDF, SMILES, flexibase
4.16,10.82,-25.9,0,5,0, 326.348, 5

Similar to: 34423897, 34423899,
13374352
 
#57

eMolecules: 25719183
Molport: MolPort-001-740-267
TCM Database @ Taiwan: 25845
UEFS Natural Products: uefs-128
AnalytiCon Discovery NP: NP-000252...15 total

ref: mol2, SDF, SMILES, flexibase
4.42,8.46,-15,1,4,0, 314.381, 6
13374351
 
#58

eMolecules: 25719183
Molport: MolPort-001-740-267
AnalytiCon Discovery NP: NP-000252
BindingDB.org: 50375220
ChEMBL12: CHEMBL408980...13 total

ref: mol2, SDF, SMILES, flexibase
4.42,8.49,-14.66,1,4,0, 314.381, 6
1904
 
#59

ChemMol: 30113639
eMolecules: 872516
Molport: MolPort-000-881-264
Scientific Exchange (make on demand): F-393847
TCM Database @ Taiwan: 25778...58 total

ref: mol2, SDF, SMILES, flexibase
3.95,9.08,-17.31,0,4,0, 270.284, 3

Similar to: 43465162,
296185
 
#60

ChemMol: 30113638
eMolecules: 4795217
Molport: MolPort-001-740-269
TCM Database @ Taiwan: 25782, tcm03_004428
AK Scientific: V0302...40 total

ref: mol2, SDF, SMILES, flexibase
3.95,8.75,-9.34,0,4,0, 270.284, 3

Similar to: 14557928, 33832263, 44830209,
1658901
 
#61

eMolecules: 17700115
Molport: MolPort-001-740-270
TCM Database @ Taiwan: 33776, 30879
UEFS Natural Products: uefs-68
AK Scientific: W1305...42 total

ref: mol2, SDF, SMILES, flexibase
5.57,11.77,-13.14,0,3,0, 298.382, 6

Similar to: 5824803, 31905382,
2548959
 
#62

ChemMol: 44002506, 30102191
eMolecules: 533332
Scientific Exchange (make on demand): F-137803
TCM Database @ Taiwan: tcm03_009004, 25806
Acros Organics: 21415...116 total

ref: mol2, SDF, SMILES, flexibase
2.28,6.1,-16.38,0,4,0, 216.192, 1

Similar to: 5863036, 39291087, 39291089,
119983
 
#63

AfroDb Natural Products: NA_0034, BMC_00064, WA_0023, BMC_000104
ChemMol: 44001969, 30101481
eMolecules: 1935773, 734433
Molport: MolPort-001-740-277
TCM Database @ Taiwan: 29198...248 total

ref: mol2, SDF, SMILES, flexibase
1.37,-4.94,-11.51,5,6,0, 290.271, 1

Similar to: 4214953, 14436215, 34331254, 34331255, 34331256, ... 13 in total.
8551389
 
#64

AnalytiCon Discovery NP: NP-000286
Collaborative Drug Discovery: 1023984
IBM Patent Data: 135731461
Lipidomics: LMPK12110469
PubChem: 40768253...7 total

ref: mol2, SDF, SMILES, flexibase
0.03,-13.31,-18.72,8,11,0, 448.38, 3

Similar to: 8551390, 8551391, 8551392, 34345449, 38734721, ... 17 in total.
8551390
 
#65

AnalytiCon Discovery NP: NP-000286
Collaborative Drug Discovery: 1023984
IBM Patent Data: 135731461
Lipidomics: LMPK12110469
PubChem: 44257906...8 total

ref: mol2, SDF, SMILES, flexibase
0.03,-13.27,-20.02,8,11,0, 448.38, 3

Similar to: 8551391, 8551392, 34345449, 38734721, 43465424, ... 17 in total.
8551391
 
#66

AnalytiCon Discovery NP: NP-000286
PubChem: 40768254
ref: mol2, SDF, SMILES, flexibase
0.03,-14.49,-25.47,8,11,0, 448.38, 3

Similar to: 4098551, 4349248, 4349256, 4349261, 4349262, ... 10 in total.
8551392
 
#67

AnalytiCon Discovery NP: NP-000286
PubChem: 40768255
ref: mol2, SDF, SMILES, flexibase
0.03,-9.28,-21.7,8,11,0, 448.38, 3

Similar to: 4098551, 4349248, 4349256, 4349261, 4349262, ... 10 in total.
13136667
 
#68

AnalytiCon Discovery NP: NP-000287
Collaborative Drug Discovery: 1023854
Lipidomics: LMPK12110338
PubChem: 44257794, 25722922
ref: mol2, SDF, SMILES, flexibase
0.52,-5.58,-16.8,7,10,0, 432.381, 3

Similar to: 13136668, 13136669, 13136670, 13424728, 34933704, ... 14 in total.
13136668
 
#69

AnalytiCon Discovery NP: NP-000287
Collaborative Drug Discovery: 1023854
Lipidomics: LMPK12110338
PubChem: 44257794, 25722923
SureChEMBL: SCHEMBL10307505...6 total

ref: mol2, SDF, SMILES, flexibase
0.52,-5.68,-16.85,7,10,0, 432.381, 3

Similar to: 13136669, 13136670, 13424728, 34933704, 34933706, ... 14 in total.
13136669
 
#70

AnalytiCon Discovery NP: NP-000287
PubChem: 25722924
ref: mol2, SDF, SMILES, flexibase
0.52,-7.18,-23.02,7,10,0, 432.381, 3

Similar to: 13136670, 13424728, 34933704, 34933706, 43465441, ... 14 in total.
13136670
 
#71

AnalytiCon Discovery NP: NP-000287
PubChem: 25722925
ref: mol2, SDF, SMILES, flexibase
0.52,-7.19,-22.71,7,10,0, 432.381, 3

Similar to: 13424728, 34933704, 34933706, 43465441, 43465442, ... 14 in total.
15157244
 
#72

AnalytiCon Discovery NP: NP-000288
PubChem: 26450768
ref: mol2, SDF, SMILES, flexibase
2.77,4.16,-10.3,2,5,0, 348.439, 1

Similar to: 34418213, 34474286, 35454694, 35454698, 35454702, ... 8 in total.
15157245
 
#73

AnalytiCon Discovery NP: NP-000288
PubChem: 26450769
ref: mol2, SDF, SMILES, flexibase
2.77,5.19,-8.9,2,5,0, 348.439, 1

Similar to: 34418213, 34474286, 34525231, 35454694, 35454698, ... 9 in total.
15157246
 
#74

AnalytiCon Discovery NP: NP-000288
PubChem: 26450770
ref: mol2, SDF, SMILES, flexibase
2.77,5.16,-10.65,2,5,0, 348.439, 1

Similar to: 34418213, 34474286, 35454694, 35454698, 35454702, ... 8 in total.
15157247
 
#75

AnalytiCon Discovery NP: NP-000288
PubChem: 26450771
ref: mol2, SDF, SMILES, flexibase
2.77,4.52,-10.19,2,5,0, 348.439, 1

Similar to: 34418213, 34474286, 35454694, 35454698, 35454702, ... 8 in total.
5890346
 
#76

eMolecules: 757216
Molport: MolPort-001-740-293
AnalytiCon Discovery NP: NP-000313
ChEMBL12: CHEMBL1343351
ChEMBL19: CHEMBL1343351...12 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-3.25,-21.24,5,9,0, 394.376, 4

Similar to: 13139345, 13139347, 32266457, 32266459, 34654542, ... 10 in total.
5890342
 
#77

eMolecules: 757216
Molport: MolPort-001-740-293
AnalytiCon Discovery NP: NP-000313
ChEMBL12: CHEMBL1343351
ChEMBL19: CHEMBL1343351...12 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-3.93,-23.73,5,9,0, 394.376, 4

Similar to: 5890346, 13139345, 13139347, 32266457, 32266459, ... 10 in total.
13139345
 
#78

AnalytiCon Discovery NP: NP-000313
PubChem: 25723664
ref: mol2, SDF, SMILES, flexibase
-0.29,-2.99,-22.25,5,9,0, 394.376, 4

Similar to: 13139347, 32266457, 32266459, 34654542, 36454946, ... 10 in total.
13139347
 
#79

AnalytiCon Discovery NP: NP-000313
PubChem: 25723665
ref: mol2, SDF, SMILES, flexibase
-0.29,-4.26,-23.64,5,9,0, 394.376, 4

Similar to: 32266457, 32266459, 34654542, 36454946, ... 10 in total.
1021
 
#80

ChemMol: 30105816
eMolecules: 479707
TCM Database @ Taiwan: 25684, tcm03_000853
Acros Organics: 10586
AKOS: AKOS003495939...161 total

ref: mol2, SDF, SMILES, flexibase
3.70,9.11,-6.44,0,2,0, 212.248, 4
14811033
 
#81

eMolecules: 26937540
AnalytiCon Discovery NP: NP-000319
ChEBI: CHEBI:65777
Collaborative Drug Discovery: 1968
PubChem: 26249303...5 total

ref: mol2, SDF, SMILES, flexibase
5.32,6.15,-12.78,3,5,0, 376.408, 6
14688352
 
#82

eMolecules: 10362912
Molport: MolPort-001-740-300
TCM Database @ Taiwan: 42250
AnalytiCon Discovery NP: NP-000330
NPACT Database: NPACT00199...7 total

ref: mol2, SDF, SMILES, flexibase
2.91,4.93,-7.06,2,5,0, 360.45, 2

Similar to: 34032913, 38209397,
3870339
 
#83

eMolecules: 12777935
Molport: MolPort-001-740-311
AnalytiCon Discovery NP: NP-000358
BioSynth: Q-200003
Element Store BB: b2star-970-74-1...23 total

ref: mol2, SDF, SMILES, flexibase
1.08,-6.48,-14.44,6,7,0, 306.27, 1

Similar to: 3978494, 4214953, 14436215, 34357236, 34357237, ... 10 in total.
18185774
 
#84

AfroDb Natural Products: BMC_00019, NA_0033
ChemMol: 97900290, 30104097, 44003749
eMolecules: 524934
TCM Database @ Taiwan: 25810, tcm03_005016
Active BioPharma: 563...135 total

ref: mol2, SDF, SMILES, flexibase
1.97,-0.94,-14.61,4,6,0, 286.239, 1

Similar to: 6567222,
1559620
 
#85

eMolecules: 872335
TCM Database @ Taiwan: tcm03_007769, 27521
AK Scientific: W1304
AnalytiCon Discovery NP: NP-000383
BioSynth: Q-100893...17 total

ref: mol2, SDF, SMILES, flexibase
-0.28,-8.45,-14.33,4,8,0, 324.285, 3

Similar to: 5439381, 5439383, 5439384, 5439386, 14443534, ... 12 in total.
391177
 
#86

eMolecules: 489369
Molport: MolPort-000-881-224
TCM Database @ Taiwan: 31803, tcm03_003810
Acros Organics: 20512
AK Scientific: V1412...74 total

ref: mol2, SDF, SMILES, flexibase
2.05,5.3,-12.96,0,3,0, 176.171, 1

Similar to: 2386196,
566
 
#87

ChemMol: 30113642, 44010767
eMolecules: 873594
Molport: MolPort-000-881-851
Scientific Exchange: Z-048461
TCM Database @ Taiwan: 25792...81 total

ref: mol2, SDF, SMILES, flexibase
3.83,8.76,-13.07,0,3,0, 244.29, 3
4102435
 
#88

eMolecules: 1935883
Molport: MolPort-001-740-346
TCM Database @ Taiwan: 40867, 28001, tcm03_000709
AnalytiCon Discovery NP: NP-000437
BioSynth: Q-100517...48 total

ref: mol2, SDF, SMILES, flexibase
0.13,-7.86,-17.24,7,11,0, 448.38, 4

Similar to: 4349434, 4349438, 4349442, 4654800, 12153073, ... 15 in total.
5732268
 
#89

eMolecules: 5752518
Molport: MolPort-001-740-349
TCM Database @ Taiwan: 30996, tcm03_004664
AnalytiCon Discovery NP: NP-000442
Element Store BB: b2star-1592-70-7...21 total

ref: mol2, SDF, SMILES, flexibase
2.45,1.17,-12.84,3,6,0, 300.266, 2
mid: mol2, SDF, SMILES, flexibase
2.71,1.47,-44.55,2,6,-1, 299.258, 2
hi: mol2, SDF, SMILES, flexibase
2.45,2.16,-55.97,2,6,-1, 299.258, 2

Similar to: 5733537, 6483420, 34537771, 34537773, ... 4 in total.
3871576
 
#90

AfroDb Natural Products: SA_0005, NA_0032, NA_0004
ChemMol: 30101532, 97800292, 97900274
eMolecules: 478202
Molport: MolPort-001-740-354
TCM Database @ Taiwan: 25808...139 total

ref: mol2, SDF, SMILES, flexibase
2.46,1.12,-12.82,3,5,0, 270.24, 1
mid: mol2, SDF, SMILES, flexibase
2.72,1.4,-45.92,2,5,-1, 269.232, 1
13118172
 
#91

eMolecules: 10349403
Molport: MolPort-001-740-360
AnalytiCon Discovery NP: NP-000460
Fluorochem: 387346
Molport BB: MolPort-001-740-360...19 total

ref: mol2, SDF, SMILES, flexibase
0.62,-0.39,-7.93,2,3,0, 166.176, 3
4175638
 
#92

ChemMol: 30107899, 44006150
eMolecules: 531297
TCM Database @ Taiwan: 27944, tcm03_006703
AK Scientific: O981
AKOS: AKOS000278033...75 total

ref: mol2, SDF, SMILES, flexibase
0.64,-6.97,-18.35,7,11,0, 448.38, 3
ref: mol2, SDF, SMILES, flexibase
0.64,-7.57,-22.76,7,11,0, 448.38, 3
hi: mol2, SDF, SMILES, flexibase
0.64,-6.48,-60.62,6,11,-1, 447.372, 3

Similar to: 9147120, 9147121, 9147122, 12153441, 12153442, ... 23 in total.
15160782
 
#93

AnalytiCon Discovery NP: NP-000479
PubChem: 26450778
ref: mol2, SDF, SMILES, flexibase
5.32,6.55,-14.34,1,5,0, 400.515, 5
15160783
 
#94

AnalytiCon Discovery NP: NP-000479
PubChem: 26450779
ref: mol2, SDF, SMILES, flexibase
5.32,7.33,-10.55,1,5,0, 400.515, 5
15160784
 
#95

AnalytiCon Discovery NP: NP-000479
PubChem: 26450780
ref: mol2, SDF, SMILES, flexibase
5.32,8.46,-10.46,1,5,0, 400.515, 5
1714287
 
#96

eMolecules: 25719315
Molport: MolPort-001-740-383
TCM Database @ Taiwan: 28534, tcm03_006915
AnalytiCon Discovery NP: NP-000505
Element Store BB: b2star-23512-46-1...21 total

ref: mol2, SDF, SMILES, flexibase
3.30,8.28,-12.06,0,4,0, 287.359, 4

Similar to: 31687674, 34472136, 39025008, 39129891, 44261693, ... 6 in total.
338309
 
#97

eMolecules: 6860953
Molport: MolPort-001-740-397
TCM Database @ Taiwan: tcm03_005314
AnalytiCon Discovery NP: NP-000539
Specs Natural Products: AN-668/21246023...14 total

ref: mol2, SDF, SMILES, flexibase
1.69,2.86,-13.82,2,5,0, 278.304, 4
338310
 
#98

eMolecules: 6860953
Molport: MolPort-001-740-397
AK Scientific: W1266
AnalytiCon Discovery NP: NP-000539
Sigma Aldrich (Building Blocks): SMB00124|SIGMA...16 total

ref: mol2, SDF, SMILES, flexibase
1.69,3.4,-12.8,2,5,0, 278.304, 4

Similar to: 34219471, 34219472,
14616880
 
#99

AnalytiCon Discovery NP: NP-000568
PubChem: 25072882, 26183513
ref: mol2, SDF, SMILES, flexibase
-0.23,-6.16,-8.86,6,10,0, 422.471, 10

Similar to: 35454840, 35454845, 35454849, 35454853, 38512975, ... 7 in total.
14616881
 
#100

AnalytiCon Discovery NP: NP-000568
PubChem: 26183514
ref: mol2, SDF, SMILES, flexibase
-0.23,-6.05,-8.61,6,10,0, 422.471, 10

Similar to: 35454840, 35454845, 35454849, 35454853, 38512975, ... 7 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 = 501 ) limit 0,100

Smiles were