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31283194
 
#1

Active BioPharma: 1
Capot Chemical: 24167
ChEMBL DrugStore: CHEMBL2104220
ChEMBL19: CHEMBL2104220
ChemDB: 7592518...17 total

ref: mol2, SDF, SMILES, flexibase
4.02,4.5,-4.8,1,3,0, 271.445, 10
mid: mol2, SDF, SMILES, flexibase
4.02,6.75,-33.32,2,3,1, 272.453, 10

Similar to: 38236682, 38236684, 51996828, 51996831, 51996834, ... 23 in total.
31283197
 
#2

Active BioPharma: 1
Capot Chemical: 24167
ChEMBL DrugStore: CHEMBL2104220
ChEMBL19: CHEMBL2104220
ChemDB: 7592518...17 total

ref: mol2, SDF, SMILES, flexibase
4.02,4.12,-4.86,1,3,0, 271.445, 10

Similar to: 38236682, 38236684, 51996828, 51996831, 51996834, ... 23 in total.
608235
 
#3

ChemMol: 44029285
Active BioPharma: 2
AK Scientific: X6090
Ark Pharm Building Blocks: AK116285
BePharm Building Blocks: B119963...25 total

ref: mol2, SDF, SMILES, flexibase
0.84,5.66,-32.76,2,8,1, 361.422, 6
mid: mol2, SDF, SMILES, flexibase
0.84,5.67,-39.11,2,8,1, 361.422, 6
hi: mol2, SDF, SMILES, flexibase
1.74,5.16,-92.9,7,8,2, 438.507, 5
41739029
 
#4

ChemMol: 44031694
Active BioPharma: 4
AK Scientific: X7616
Ark Pharm Building Blocks: AK117147
BePharm Building Blocks: B159850...29 total

ref: mol2, SDF, SMILES, flexibase
2.01,7.12,-10.35,2,6,0, 311.37, 5
275474
 
#5

eMolecules: 1310118
Molport: MolPort-001-955-815
Active BioPharma: 12
Ark Pharm Building Blocks: AK144334
Chembo Pharma: KB-73595...11 total

ref: mol2, SDF, SMILES, flexibase
3.82,6.13,-8.58,2,3,0, 250.301, 2
mid: mol2, SDF, SMILES, flexibase
3.82,6.13,-8.75,2,3,0, 250.301, 2
hi: mol2, SDF, SMILES, flexibase
3.82,6.92,-49.24,1,3,-1, 249.293, 2
hi: mol2, SDF, SMILES, flexibase
3.82,6.77,-47.27,1,3,-1, 249.293, 2

Similar to: 13122806,
5999049
 
#6

TCM Database @ Taiwan: 31853, tcm03_005465
Active BioPharma: 13
AK Scientific: W2762
Ark Pharm Building Blocks: AK144241
Bide Pharmatech BB: BD265245...18 total

ref: mol2, SDF, SMILES, flexibase
2.35,-2.48,-15.9,3,5,0, 286.283, 4

Similar to: 31905240, 3935701,
33359423
 
#7

Active BioPharma: 16
AK Scientific: X5923, SYN1020
Ark Pharm Building Blocks: AK-37190
CiVentiChem: CV-5580
Molport BB: MolPort-008-266-821...27 total

ref: mol2, SDF, SMILES, flexibase
3.93,7.6,-11.91,2,7,0, 391.422, 5
mid: mol2, SDF, SMILES, flexibase
3.93,8.31,-50.21,1,7,-1, 390.414, 5
lo: mol2, SDF, SMILES, flexibase
3.93,7.81,-39.47,3,7,1, 392.43, 5

Similar to: 34630983, 38280041,
33359422
 
#8

Active BioPharma: 16
AK Scientific: SYN1020, X5923
Ark Pharm Building Blocks: AK-37190
CiVentiChem: CV-5580
Molport BB: MolPort-008-266-821...23 total

ref: mol2, SDF, SMILES, flexibase
3.93,7.63,-11.57,2,7,0, 391.422, 5
mid: mol2, SDF, SMILES, flexibase
3.93,8.35,-50.44,1,7,-1, 390.414, 5
lo: mol2, SDF, SMILES, flexibase
3.93,7.83,-40.47,3,7,1, 392.43, 5

Similar to: 34630983, 38280041,
36377992
 
#9

ChemMol: 44029109
Molport: MolPort-021-805-020
Active BioPharma: 18
AK Scientific: Y0260, SYN1093
Capot Chemical: 22492...38 total

ref: mol2, SDF, SMILES, flexibase
3.26,5.98,-25.03,4,6,0, 404.323, 4
3815700
 
#10

ChemMol: 97900082, 97900058, 44024781
Molport: MolPort-020-313-396
Active BioPharma: 21, 156, 113
AK Scientific: X7403, SYN1074
AKOS: AKOS005145971...58 total

ref: mol2, SDF, SMILES, flexibase
3.10,8.8,-21.46,1,4,0, 377.444, 4
lo: mol2, SDF, SMILES, flexibase
3.10,9.25,-46.75,2,4,1, 378.452, 4
lo: mol2, SDF, SMILES, flexibase
3.10,9.24,-46.38,2,4,1, 378.452, 4
18274812
 
#11

ChemMol: 97900058, 97900082, 44024781
Molport: MolPort-020-313-396, MolPort-000-006-291
Active BioPharma: 21, 156, 113
AK Scientific: X7403, SYN1074
AKOS: AKOS005145971...96 total

ref: mol2, SDF, SMILES, flexibase
3.10,8.81,-16.64,1,4,0, 377.444, 4
ref: mol2, SDF, SMILES, flexibase
3.10,8.8,-16.98,1,4,0, 377.444, 4
lo: mol2, SDF, SMILES, flexibase
3.10,9.25,-46.22,2,4,1, 378.452, 4
lo: mol2, SDF, SMILES, flexibase
3.10,9.24,-46.37,2,4,1, 378.452, 4
3870481
 
#12

ChemMol: 97900002
Active BioPharma: 25
Molport BB: MolPort-003-940-598
Ryan Scientific: 048-04401
Ryan Scientific BB: 093-61698...49 total

ref: mol2, SDF, SMILES, flexibase
5.46,12.38,-10.59,0,3,0, 352.865, 4

Similar to: 38289506, 39134220, 39134221, 39134222, ... 4 in total.
3870482
 
#13

ChemMol: 97900002
Active BioPharma: 25
Molport BB: MolPort-003-940-598
Ryan Scientific: 048-04401
Ryan Scientific BB: 093-61698...50 total

ref: mol2, SDF, SMILES, flexibase
5.46,12.38,-10.5,0,3,0, 352.865, 4

Similar to: 38289506, 39134220, 39134221, 39134222, ... 4 in total.
6718813
 
#14

ChemMol: 97300963, 30116791
Acorn PharmaTech: ACN-S001720
Active BioPharma: 26
AK Scientific: SYN1002, X7465
APIChem: AC-24279...55 total

ref: mol2, SDF, SMILES, flexibase
4.73,7.88,-12.09,5,6,0, 375.407, 3

Similar to: 34587640, 38210676,
47459
 
#15

eMolecules: 497462
Molport: MolPort-002-549-877
Scientific Exchange: POD_15/0645
Active BioPharma: 28
AK Scientific: P164...32 total

ref: mol2, SDF, SMILES, flexibase
5.64,9.9,-8.2,0,3,0, 328.415, 0
lo: mol2, SDF, SMILES, flexibase
5.64,10.25,-30.61,1,3,1, 329.423, 0

Similar to: 2170290, 2170292, 33806440, 33806442, 34222391, ... 18 in total.
47458
 
#16

eMolecules: 497462
Molport: MolPort-002-549-877
Scientific Exchange: POD_15/0645
Active BioPharma: 28
AK Scientific: P164...31 total

ref: mol2, SDF, SMILES, flexibase
5.64,9.87,-8.21,0,3,0, 328.415, 0
lo: mol2, SDF, SMILES, flexibase
5.64,10.24,-30.63,1,3,1, 329.423, 0

Similar to: 2170290, 2170292, 33806440, 33806442, 34222391, ... 18 in total.
19632839
 
#17

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.
19632834
 
#18

ChemMol: 97602995, 30111014, 30104584, 97900005, 44004116, 2100002
Molport: MolPort-002-885-823
Acorn PharmaTech: ACN-S002478, ACN-S002477
Active BioPharma: 31
AKOS: AKOS015895596...195 total

ref: mol2, SDF, SMILES, flexibase
1.37,3.34,-16.14,0,9,0, 388.815, 3

Similar to: 38432739, 38512417, 38558982, 38558983, 38559579, ... 18 in total.
19796155
 
#19

ChemMol: 97900006, 30101986, 44002342
eMolecules: 36635336
Molport: MolPort-001-728-041
Active BioPharma: 32
AK Scientific: H482...119 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.55,-7.08,1,4,0, 326.831, 1
mid: mol2, SDF, SMILES, flexibase
4.14,11.23,-89.99,3,4,2, 328.847, 1
mid: mol2, SDF, SMILES, flexibase
4.14,9.89,-42.06,2,4,1, 327.839, 1
hi: mol2, SDF, SMILES, flexibase
4.14,8.88,-23.43,2,4,1, 327.839, 1
lo: mol2, SDF, SMILES, flexibase
4.14,11.17,-19.71,4,4,0, 329.855, 1

Similar to: 31880687, 32131087, 32131089, 34450909, 34539532, ... 18 in total.
2557947
 
#20

ChemMol: 97900014
Molport: MolPort-001-761-274
Active BioPharma: 50
AK Scientific: X7479
Ark Pharm Building Blocks: AK-58195...57 total

ref: mol2, SDF, SMILES, flexibase
1.92,3.02,-11.13,3,5,0, 294.31, 4

Similar to: 3928712, 34634658, 41674280, 41674469, 41677321, ... 23 in total.
2000919
 
#21

ChemMol: 97900016, 97900093
Molport: MolPort-000-860-686, MolPort-003-983-800
Active BioPharma: 169, 53
AF ChemPharm: CP-1162
AK Scientific: X5034...100 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.44,-11.23,1,4,0, 275.348, 4

Similar to: 3952678, 3964432, 34041422, 34041423, 34042492, ... 19 in total.
4982
 
#22

ChemMol: 97900016, 30114515, 97900092
Molport: MolPort-000-860-686
Active BioPharma: 53, 168
AF ChemPharm: CP-1162
AK Scientific: P623...114 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.43,-11.26,1,4,0, 275.348, 4

Similar to: 22479, 2000919, 3952678, 60067825, 60067826, ... 5 in total.
1420826
 
#23

ChemMol: 97900021
Molport: MolPort-000-005-902
Active BioPharma: 61
AK Scientific: X7398
AKOS: AKOS015995212...57 total

ref: mol2, SDF, SMILES, flexibase
3.18,5.85,-10.31,2,4,0, 267.284, 2
3941
 
#24

ChemMol: 2101616, 97900022
Active BioPharma: 62
Apexmol Building Blocks: AM20020263
Bachem: Q-1885
Beijing Acemol Technology: AMOT0032...33 total

ref: mol2, SDF, SMILES, flexibase
3.61,8.44,-12.45,2,3,0, 292.382, 5
537931
 
#25

ChemMol: 44002240, 30101835, 97900024
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.
13156
 
#26

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,
9230249
 
#27

ChemMol: 97900032
Active BioPharma: 75
Element Store BB: b2star-101975-10-4
Molport BB: MolPort-003-960-230
Prestwick Chemical: Prestw-977...44 total

ref: mol2, SDF, SMILES, flexibase
1.95,3.07,-12.5,1,5,0, 268.219, 4
hi: mol2, SDF, SMILES, flexibase
2.40,1.22,-48.8,0,5,-1, 267.211, 4

Similar to: 28474886,
52957434
 
#28

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,
4097406
 
#29

ChemMol: 97900037
TCM Database @ Taiwan: tcm03_001140
Active BioPharma: 85
American Custom Chemicals Corp.: API0001831
Ryan Scientific: 048-04427...52 total

ref: mol2, SDF, SMILES, flexibase
7.14,0.62,-3.91,2,2,0, 314.469, 6

Similar to: 4097407, 5820248, 5821075, 5844406, 5844413, ... 13 in total.
3794575
 
#30

ChemMol: 97900039
Active BioPharma: 87
Sigma Aldrich (Building Blocks): G5794|SIGMA
Alfa Chemistry (Depleted): ACM124555186
BindingDB.org: 50395126...28 total

ref: mol2, SDF, SMILES, flexibase
-0.23,-13.5,-17.5,5,10,0, 351.363, 4

Similar to: 3948217, 3963026, 3996025, 6119243, 6119244, ... 15 in total.
598361
 
#31

ChemMol: 97900040
Active BioPharma: 88
Ryan Scientific: 048-04540
Ryan Scientific BB: 093-61837
Tocris: 5264...22 total

ref: mol2, SDF, SMILES, flexibase
3.02,-2.64,-11.74,3,7,0, 352.394, 1

Similar to: 3784136, 3920997, 3995138, 34030118, 34030973, ... 21 in total.
3784136
 
#32

ChemMol: 97900040
Active BioPharma: 88
Ryan Scientific: 048-04540
Ryan Scientific BB: 093-61837
Tocris: 5264...17 total

ref: mol2, SDF, SMILES, flexibase
3.02,-2.67,-11.77,3,7,0, 352.394, 1

Similar to: 3920997, 3995138, 34030118, 34030973, 34030974, ... 23 in total.
14951176
 
#33

Active BioPharma: 94
AK Scientific: SYN1073
Apollo Scientific Bioactives: BIS4321
Chembo Pharma: KB-80489
Lab Seeker Building Blocks: SC-27980...38 total

ref: mol2, SDF, SMILES, flexibase
3.59,8.78,-41.1,2,4,0, 331.35, 2
mid: mol2, SDF, SMILES, flexibase
3.59,9.26,-92.55,3,4,1, 332.358, 2
mid: mol2, SDF, SMILES, flexibase
3.78,7.25,-9.85,2,4,0, 331.35, 3
mid: mol2, SDF, SMILES, flexibase
3.78,7.8,-36.53,3,4,1, 332.358, 3
mid: mol2, SDF, SMILES, flexibase
3.78,7.79,-36.34,3,4,1, 332.358, 3

Similar to: 34043230, 34551227, 38620789, 38732034, 38802366, ... 5 in total.
538646
 
#34

ChemMol: 97900156, 97900049
Active BioPharma: 100, 256
Ryan Scientific: 048-04490
Ryan Scientific BB: 093-61787
BOC Sciences BB (Depleted): 187523-36-0...26 total

ref: mol2, SDF, SMILES, flexibase
4.38,2.88,-8.59,1,3,0, 359.706, 3

Similar to: 839816, 3938674, 34042179, 34042180, 34043261, ... 22 in total.
839816
 
#35

ChemMol: 97900049, 97900174
Active BioPharma: 100, 281
Ryan Scientific: 048-04311
Ryan Scientific BB: 093-61608
BindingDB.org: 50426567...28 total

ref: mol2, SDF, SMILES, flexibase
4.38,2.86,-8.57,1,3,0, 359.706, 3

Similar to: 3938674, 34042179, 34042180, 34043261, 34228016, ... 22 in total.
19537374
 
#36

ChemMol: 97900050, 30108771, 97901141, 44000905
eMolecules: 1254510
Molport: MolPort-001-900-168
Active BioPharma: 2396, 101
AK Scientific: R416...90 total

ref: mol2, SDF, SMILES, flexibase
1.93,7.01,-9.97,0,6,0, 298.346, 3

Similar to: 31554142, 31554144, 31554150, 31554200, 31570634, ... 12 in total.
19632610
 
#37

ChemMol: 44002251, 30116679, 97900051, 30101853
eMolecules: 538533, 11021182
Active BioPharma: 102
AK Scientific: K235
AKOS: AKOS015891545...92 total

ref: mol2, SDF, SMILES, flexibase
4.05,9.51,-34.29,0,5,-1, 383.251, 5

Similar to: 22057516, 22057521, 31490672, 31490674, 31771858, ... 22 in total.
19802035
 
#38

ChemMol: 30116679, 30101853, 97900051, 44002251
eMolecules: 538533
Active BioPharma: 102
AK Scientific: K235
AKOS: AKOS015891545...83 total

ref: mol2, SDF, SMILES, flexibase
4.05,9.51,-34.69,0,5,-1, 383.251, 5

Similar to: 22057516, 22057521, 31490672, 31490674, 31771858, ... 26 in total.
3778381
 
#39

ChemMol: 97900054
Active BioPharma: 107
Amadis Chemical: A848867
Ryan Scientific: 048-04456
Ryan Scientific BB: 093-61753...16 total

ref: mol2, SDF, SMILES, flexibase
2.04,-8.58,-13.38,3,9,0, 363.418, 5

Similar to: 597419,
3803921
 
#40

ChemMol: 97900060
Molport: MolPort-020-007-387
Active BioPharma: 115
AK Scientific: Z4210
Amadis Chemical: A846725...50 total

ref: mol2, SDF, SMILES, flexibase
2.94,2.1,-14.41,0,8,0, 384.436, 6
6170
 
#41

ChemMol: 97900061
Active BioPharma: 116
Ark Pharm Building Blocks: AK-60772
Bide Pharmatech BB: BD150918
Chembo Pharma: KB-275290...33 total

ref: mol2, SDF, SMILES, flexibase
2.59,10.81,-11.79,2,8,0, 345.366, 4
538590
 
#42

ChemMol: 97900062
Active BioPharma: 117
Ark Pharm Building Blocks: AK-60502
Molport BB: MolPort-003-983-560
Ryan Scientific: 048-04500...18 total

ref: mol2, SDF, SMILES, flexibase
5.21,11.61,-28.27,0,3,0, 412.439, 4

Similar to: 1484302,
52957104
 
#43

ChemMol: 97900068
Active BioPharma: 125
Ryan Scientific: 048-04529, 048-04528
Ryan Scientific BB: 093-61825, 093-61826
Sigma Aldrich (Building Blocks): W1895|SIGMA...22 total

ref: mol2, SDF, SMILES, flexibase
4.30,9.46,-8.08,1,5,0, 395.547, 7
52957106
 
#44

ChemMol: 97601621, 97900068, 97900753
Active BioPharma: 1569, 125
Ark Pharm Building Blocks: AK-57993
BOC Sciences BB: 133025-23-7
ChiralBlock BioScience BB: 1978...39 total

ref: mol2, SDF, SMILES, flexibase
4.30,9,-8.74,1,5,0, 395.547, 7
2379524
 
#45

ChemMol: 97900072
Active BioPharma: 129
BOC Sciences BB: 178616-26-7
Chembo Pharma: KB-147109
Molport BB: MolPort-003-983-534...21 total

ref: mol2, SDF, SMILES, flexibase
1.21,3.46,-10.52,3,6,0, 311.341, 3

Similar to: 34548903, 38462888,
22002214
 
#46

ChemMol: 44007154, 97900077, 30113273, 30116015
Active BioPharma: 143
AK Scientific: V1985
Amadis Chemical: A849952
APIChem: AC-22611...111 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.69,-11.34,1,4,0, 276.38, 3
mid: mol2, SDF, SMILES, flexibase
2.12,7.04,-48.98,1,4,1, 277.388, 3

Similar to: 32155743, 34590920, 34590922, 34590924, 34590926, ... 51 in total.
22002218
 
#47

ChemMol: 44007154, 97900077, 30113273, 30116015
Active BioPharma: 143
AK Scientific: V1985
Amadis Chemical: A849952
APIChem: AC-7052...115 total

ref: mol2, SDF, SMILES, flexibase
2.16,5.69,-11.35,1,4,0, 276.38, 3
mid: mol2, SDF, SMILES, flexibase
2.12,6.82,-50.27,1,4,1, 277.388, 3

Similar to: 32155743, 34590920, 34590922, 34590924, 34590926, ... 51 in total.
25973757
 
#48

ChemMol: 97900079
Active BioPharma: 146
Ryan Scientific: 048-04343
Ryan Scientific BB: 093-61640
Alfa Chemistry (Depleted): ACM1977088...15 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.56,-6.67,1,4,0, 326.831, 1

Similar to: 34553093, 34553095, 34585557, 34652392, 34656451, ... 5 in total.
75086
 
#49

ChemMol: 97900083
Molport: MolPort-022-863-704
Active BioPharma: 157
Element Store BB: b2star-63735-71-7
Ryan Scientific: 048-04475...21 total

ref: mol2, SDF, SMILES, flexibase
1.35,1,-13.69,2,6,0, 280.334, 2
hi: mol2, SDF, SMILES, flexibase
1.35,1.48,-36.6,1,6,-1, 279.326, 2

Similar to: 6694552, 33758576, 34321955, 34322088, 34322159, ... 29 in total.
2581407
 
#50

ChemMol: 97900086
Active BioPharma: 161
Molport BB: MolPort-003-983-554
Ryan Scientific: 048-04520
Ryan Scientific BB: 093-61817...17 total

ref: mol2, SDF, SMILES, flexibase
5.52,10.79,-11.94,2,3,0, 334.463, 8
2583630
 
#51

ChemMol: 97900088
Active BioPharma: 163
Ryan Scientific: 048-04491
Ryan Scientific BB: 093-61788
Tractus: TRA0046443...13 total

ref: mol2, SDF, SMILES, flexibase
4.93,12.79,-11.95,2,8,0, 432.528, 9
lo: mol2, SDF, SMILES, flexibase
4.93,13.07,-35.61,3,8,1, 433.536, 9
lo: mol2, SDF, SMILES, flexibase
4.93,13.18,-31.89,3,8,1, 433.536, 9

Similar to: 34325761, 34342365, 34389736, 34391678, 38246275, ... 6 in total.
1489691
 
#52

ChemMol: 97900089
Molport: MolPort-003-849-795
Active BioPharma: 164
AK Scientific: X7396
Chembo Pharma: KB-59440...34 total

ref: mol2, SDF, SMILES, flexibase
5.82,1.03,-13.98,2,4,0, 478.664, 6

Similar to: 38404209, 38407201,
420976
 
#53

ChemMol: 97900091
eMolecules: 29261445
Active BioPharma: 166
Chembo Pharma: KB-81469
Mcule: MCULE-8991282071...25 total

ref: mol2, SDF, SMILES, flexibase
3.12,-3.53,-10.73,3,5,0, 341.436, 4
lo: mol2, SDF, SMILES, flexibase
3.12,-3.49,-34.34,4,5,1, 342.444, 4
22358298
 
#54

ChemMol: 97900094
Active BioPharma: 172
Ryan Scientific: 048-04362
Ryan Scientific BB: 093-61659
BindingDB.org: 50205425...10 total

ref: mol2, SDF, SMILES, flexibase
3.97,10.69,-19.49,1,9,0, 487.56, 6

Similar to: 38227873,
22358301
 
#55

ChemMol: 97900094
Active BioPharma: 172
Ryan Scientific: 048-04362
Ryan Scientific BB: 093-61659
BindingDB.org: 50205425...10 total

ref: mol2, SDF, SMILES, flexibase
3.97,10.83,-19.72,1,9,0, 487.56, 6
1547851
 
#56

ChemMol: 30104191, 97900095, 44003800
Molport: MolPort-003-848-377
Active BioPharma: 173
AK Scientific: R856
AKOS: AKOS015841981...126 total

ref: mol2, SDF, SMILES, flexibase
0.23,1.97,-16.36,2,4,0, 170.212, 3

Similar to: 3830990,
21297825
 
#57

ChemMol: 97900096
Active BioPharma: 174
AK Scientific: L115
American Custom Chemicals Corp.: NUC0000569
Ark Pharm Building Blocks: AK-33122...28 total

ref: mol2, SDF, SMILES, flexibase
0.53,-3.05,-15.63,3,8,0, 321.12, 2

Similar to: 21985541, 22057065, 22057069,
13121898
 
#58

ChemMol: 97900098
Active BioPharma: 178
Chembo Pharma: KB-59946
Molport BB: MolPort-003-983-795
Ryan Scientific: 048-04424...21 total

ref: mol2, SDF, SMILES, flexibase
4.80,5.69,-11.03,3,5,0, 386.451, 5
mid: mol2, SDF, SMILES, flexibase
4.80,6.05,-29.22,4,5,1, 387.459, 5
13452167
 
#59

ChemMol: 97900099, 30111166, 44008204
Molport: MolPort-003-846-012
TCM Database @ Taiwan: 28923
Active BioPharma: 179
AK Scientific: Y0443...74 total

ref: mol2, SDF, SMILES, flexibase
3.47,5.32,-10.67,1,5,0, 316.353, 6
52541473
 
#60

ChemMol: 97900101
Active BioPharma: 181
AK Scientific: Y0235, X7593
American Custom Chemicals Corp.: CHM0034851
Chembo Pharma: KB-81481...70 total

ref: mol2, SDF, SMILES, flexibase
4.38,11.38,-13.41,0,6,0, 422.573, 7

Similar to: 31996590, 31996540, 31996537, 31977074, 31977075, ... 8 in total.
1540228
 
#61

ChemMol: 30104416, 2100014, 97900102, 30115222, 44003975
eMolecules: 2728948
Molport: MolPort-005-973-080, MolPort-003-850-185
Active BioPharma: 183
AK Scientific: H760...168 total

ref: mol2, SDF, SMILES, flexibase
5.22,12.29,-7.95,1,5,0, 463.796, 4

Similar to: 1545602, 13472873, 34663431, 35851090, 38270386, ... 8 in total.
602639
 
#62

ChemMol: 97900107
Active BioPharma: 188
Ryan Scientific: 048-04389
Ryan Scientific BB: 093-61686
Alfa Chemistry (Depleted): ACM205881863...8 total

ref: mol2, SDF, SMILES, flexibase
0.92,1.85,-15.4,0,5,0, 389.43, 2

Similar to: 2465434, 2465437, 2465446, 2465448, 2465461, ... 9 in total.
19632614
 
#63

ChemMol: 44005989, 30107526, 2100007, 97900109
Molport: MolPort-020-007-837
Active BioPharma: 190
AK Scientific: X5007, H018
AKOS: AKOS000280752...179 total

ref: mol2, SDF, SMILES, flexibase
4.19,8.75,-11.24,1,7,0, 446.91, 8
mid: mol2, SDF, SMILES, flexibase
3.93,9.92,-78.3,3,7,2, 448.926, 7

Similar to: 34365256, 34395040, 35920842, 38432165, 38733532, ... 6 in total.
19868747
 
#64

ChemMol: 97900110
eMolecules: 4704194
Molport: MolPort-002-651-947
Active BioPharma: 191
AKOS: AKOS005410426...50 total

ref: mol2, SDF, SMILES, flexibase
2.38,4.89,-8.18,1,4,0, 277.755, 1

Similar to: 25788731, 28396608, 32500347, 35527025, 35527029, ... 9 in total.
2697099
 
#65

ChemMol: 97900111
Active BioPharma: 192
ChemDB: 6215341
PubChem: 2140070
Ambinter: Amb3497245...5 total

ref: mol2, SDF, SMILES, flexibase
3.86,2.55,-6.31,0,4,0, 304.655, 4
22309215
 
#66

ChemMol: 97900112
Active BioPharma: 194
AsisChem: ASIS-0149
Ryan Scientific: 048-04634
Ryan Scientific BB: 093-61931...20 total

ref: mol2, SDF, SMILES, flexibase
2.66,8.48,-17.36,2,7,0, 490.51, 6

Similar to: 34326018, 34358779, 34365819, 34365820, 34379946, ... 39 in total.
1549363
 
#67

ChemMol: 44013118, 30115523, 97900113
Molport: MolPort-023-276-520
Active BioPharma: 195
AK Scientific: X7572
APIChem: AC-23163...35 total

ref: mol2, SDF, SMILES, flexibase
3.54,10,-11.13,2,6,0, 432.467, 9

Similar to: 3872211, 3872212, 3872213, 34229737, 34229738, ... 12 in total.
1910234
 
#68

ChemMol: 97900118
Active BioPharma: 204
AK Scientific: X3440
Chembo Pharma: KB-80585
Molport BB: MolPort-003-983-806...37 total

ref: mol2, SDF, SMILES, flexibase
3.06,6.95,-11.64,4,3,0, 335.354, 4
lo: mol2, SDF, SMILES, flexibase
3.06,6.73,-38.57,5,3,1, 336.362, 4
7999092
 
#69

ChemMol: 97900127, 97901038
Active BioPharma: 2194, 215
BindingDB.org: 50140756, 50099567
ChEMBL12: CHEMBL25672, CHEMBL44297
ChEMBL12 10uM: CHEMBL44297...13 total

ref: mol2, SDF, SMILES, flexibase
1.44,2.33,-15.46,1,6,0, 324.402, 3

Similar to: 28758557, 34335714, 34335715, 34537134, 34537178, ... 24 in total.
26729865
 
#70

ChemMol: 97900128
Active BioPharma: 216
Ryan Scientific: 048-04276
Ryan Scientific BB: 093-61570
Selleck Chemicals: S2168...24 total

ref: mol2, SDF, SMILES, flexibase
2.00,1.06,-8.85,1,4,0, 249.31, 2

Similar to: 36672976, 36672977, 36672978, 36672979, 36673136, ... 16 in total.
25427051
 
#71

ChemMol: 97900129
eMolecules: 31846213
Molport: MolPort-001-728-583
Active BioPharma: 217
Chembo Pharma: KB-47027...45 total

ref: mol2, SDF, SMILES, flexibase
2.03,6.5,-9.81,1,5,0, 293.374, 3
1546066
 
#72

ChemMol: 44005993, 30107529, 2101367, 44005992, 97900130, 30107530
Molport: MolPort-003-850-391
Acorn PharmaTech: ACN-S001817
Active BioPharma: 219
AK Scientific: M375...212 total

ref: mol2, SDF, SMILES, flexibase
2.80,9.59,-15.77,1,7,0, 393.443, 10

Similar to: 1554105, 22065493, 33999342, 34613779, 34891903, ... 10 in total.
1493878
 
#73

ChemMol: 97900133, 2100012, 30111771, 30108461, 44011202, 2102158, 44010773
Acorn PharmaTech: ACN-S001721
Active BioPharma: 222
AK Scientific: Q812, V0124, SYN1082
AKOS: AKOS015924650...225 total

ref: mol2, SDF, SMILES, flexibase
4.76,6.55,-16.07,3,7,0, 464.831, 6

Similar to: 3987201, 3987204, 33991549, 34325600, 34379707, ... 9 in total.
7673
 
#74

ChemMol: 97900134, 96705824, 30115903, 44014989
Molport: MolPort-006-170-142
Active BioPharma: 223
AKOS: AKOS005146274
American Custom Chemicals Corp.: API0006320...73 total

ref: mol2, SDF, SMILES, flexibase
-0.07,-2.84,-9.35,2,5,0, 250.298, 6

Similar to: 29562604,
602652
 
#75

ChemMol: 97900137
Active BioPharma: 226
Chembo Pharma: KB-274256
Ryan Scientific: 048-04390
Ryan Scientific BB: 093-61687...23 total

ref: mol2, SDF, SMILES, flexibase
3.66,3.45,-13.06,0,8,0, 399.405, 5

Similar to: 3991661, 34570711,
11687445
 
#76

ChemMol: 97900138
Molport: MolPort-016-581-183
Active BioPharma: 229
Fluorochem: 047177
KeyOrganics Bioactives: ES-0033...24 total

ref: mol2, SDF, SMILES, flexibase
3.40,7.88,-11.04,2,5,0, 342.468, 2

Similar to: 34032304, 34039243, 34039799,
602847
 
#77

ChemMol: 97900139
Active BioPharma: 230
Anward: ANW-62570
Ark Pharm Building Blocks: AK101894
BePharm Building Blocks: B233433...24 total

ref: mol2, SDF, SMILES, flexibase
3.16,10.9,-14.99,2,9,0, 389.419, 6
1539133
 
#78

ChemMol: 97900141
Active BioPharma: 236
Element Store BB: b2star-157286-86-7
Ryan Scientific: 048-04314
Ryan Scientific BB: 093-61611...30 total

ref: mol2, SDF, SMILES, flexibase
6.02,2.73,-7.89,0,4,0, 364.537, 6

Similar to: 1539134, 1539135, 1539137, 1539138, 1539139, ... 22 in total.
6404102
 
#79

ChemMol: 97900145
Active BioPharma: 242
Molport BB: MolPort-003-983-787
NCI Plated 2007: 625987
Ryan Scientific: 048-04436...18 total

ref: mol2, SDF, SMILES, flexibase
3.38,6.78,-16.1,1,3,0, 271.341, 2
hi: mol2, SDF, SMILES, flexibase
3.95,6.46,-46.8,0,3,-1, 270.333, 2

Similar to: 40175642,
3938683
 
#80

ChemMol: 97900146, 96705852
Active BioPharma: 244
AK Scientific: SYN1059, W5947
AKOS: AKOS015896067, AKOS015855518
American Custom Chemicals Corp.: HCH0316784...58 total

ref: mol2, SDF, SMILES, flexibase
3.16,-3.23,-22.12,4,6,0, 482.196, 7

Similar to: 32919271, 34323063, 34323074, 34334550, 34359387, ... 26 in total.
11726230
 
#81

ChemMol: 97900147
Active BioPharma: 247
Chembo Pharma: KB-74717
Ryan Scientific: 048-04537
Ryan Scientific BB: 093-61834...21 total

ref: mol2, SDF, SMILES, flexibase
3.15,8.44,-15.53,1,8,0, 418.501, 8
lo: mol2, SDF, SMILES, flexibase
3.15,9.27,-30.22,2,8,1, 419.509, 8
lo: mol2, SDF, SMILES, flexibase
3.15,9.52,-27.42,2,8,1, 419.509, 8
lo: mol2, SDF, SMILES, flexibase
3.15,9.87,-75.81,3,8,2, 420.517, 8
lo: mol2, SDF, SMILES, flexibase
3.33,9.52,-76.95,3,8,2, 420.517, 7
lo: mol2, SDF, SMILES, flexibase
3.15,8.78,-37.83,2,8,1, 419.509, 8

Similar to: 35848541, 35879717,
27439698
 
#82

ChemMol: 30110846, 44013881, 44011743, 97900148
Molport: MolPort-006-170-085
Active BioPharma: 248
AK Scientific: Y0252
AKOS: AKOS005145818...76 total

ref: mol2, SDF, SMILES, flexibase
4.35,8.5,-12.22,2,8,0, 485.947, 9

Similar to: 34365802, 34580383, 34632685, 34643091, 34643661, ... 13 in total.
6718487
 
#83

ChemMol: 97900159
eMolecules: 29703063
Molport: MolPort-019-795-932
Active BioPharma: 260
Mcule: MCULE-9535840404...20 total

ref: mol2, SDF, SMILES, flexibase
0.76,4.22,-16.07,0,10,0, 447.469, 6

Similar to: 34608091, 34608344, 34662328, 35801873, 35801874, ... 13 in total.
3939511
 
#84

ChemMol: 97900160
Active BioPharma: 261
AK Scientific: Y0254
Element Store BB: b2star-660868-91-7
Ryan Scientific: 048-04328...28 total

ref: mol2, SDF, SMILES, flexibase
4.09,0.74,-14.76,2,7,0, 477.464, 8
1491879
 
#85

ChemMol: 97900161
Active BioPharma: 268
Ryan Scientific: 048-04329
Ryan Scientific BB: 093-61626
Alfa Chemistry (Depleted): ACM475466570...7 total

ref: mol2, SDF, SMILES, flexibase
5.15,2.75,-19.1,0,6,0, 463.622, 10
mid: mol2, SDF, SMILES, flexibase
5.15,2.9,-33.24,1,6,1, 464.63, 10
39025428
 
#86

ChemMol: 97900163
Active BioPharma: 270
Chembo Pharma: KB-291569
PubChem: 10565781
SureChEMBL: SCHEMBL2471554...5 total

ref: mol2, SDF, SMILES, flexibase
3.24,6.6,-8.8,0,3,0, 295.18, 2

Similar to: 15444604, 15444607, 30677798, 30677794, 30677805, ... 9 in total.
39025429
 
#87

ChemMol: 97900163
Active BioPharma: 270
Chembo Pharma: KB-291569
PubChem: 10565781
SureChEMBL: SCHEMBL2471554...5 total

ref: mol2, SDF, SMILES, flexibase
3.24,6.6,-8.86,0,3,0, 295.18, 2

Similar to: 15444604, 15444607, 30677798, 30677794, 30677805, ... 9 in total.
7992856
 
#88

ChemMol: 97900170
Active BioPharma: 277
Molport BB: MolPort-003-983-728
Ryan Scientific: 048-04451
Ryan Scientific BB: 093-61748...17 total

ref: mol2, SDF, SMILES, flexibase
3.15,6.51,-9.9,3,5,0, 328.441, 2

Similar to: 34032304, 34039243, 34039799,
37866146
 
#89

ChemMol: 97900171
Active BioPharma: 278
Molport BB: MolPort-003-983-711
Ryan Scientific: 048-04486
Ryan Scientific BB: 093-61783...24 total

ref: mol2, SDF, SMILES, flexibase
4.20,11.73,-21.33,0,3,0, 376.459, 4
lo: mol2, SDF, SMILES, flexibase
4.20,12.19,-41.28,1,3,1, 377.467, 4
lo: mol2, SDF, SMILES, flexibase
4.20,12.64,-84.7,2,3,2, 378.475, 4
538650
 
#90

ChemMol: 30110887, 97900173, 44007505
Active BioPharma: 280
APIChem: AC-2358
Boerchem Pharmatech BB: BC222571
Molport BB: MolPort-005-941-775...46 total

ref: mol2, SDF, SMILES, flexibase
2.97,1.37,-23.48,0,6,0, 376.441, 4

Similar to: 34603582, 34662395, 34662550, 35878535, 35880845, ... 9 in total.
24044436
 
#91

ChemMol: 30116703, 97900175, 44014778
Molport: MolPort-006-168-795
Active BioPharma: 282
AK Scientific: X7401
APIChem: AC-24379...61 total

ref: mol2, SDF, SMILES, flexibase
6.43,12.45,-17.33,2,8,0, 527.669, 8

Similar to: 34327432, 34380407, 36518249,
1493890
 
#92

ChemMol: 97900176
Molport: MolPort-003-983-830
Active BioPharma: 283
AK Scientific: W5100, SYN1075
AKOS: AKOS015995247...50 total

ref: mol2, SDF, SMILES, flexibase
4.67,9.2,-9.12,1,4,0, 371.223, 2

Similar to: 34422462, 34631635, 35814229, 35820979, 35920055, ... 5 in total.
3816287
 
#93

ChemMol: 30108524, 97900179, 44011741
Active BioPharma: 288
American Custom Chemicals Corp.: KIN0000041
Angene Building Blocks: AGN-PC-0R79BW
Anward: ANW-61822...61 total

ref: mol2, SDF, SMILES, flexibase
3.98,8.98,-14.29,2,5,0, 386.48, 5

Similar to: 3927810, 11616882,
1547848
 
#94

ChemMol: 97900180
Active BioPharma: 289
Ryan Scientific: 048-04374
Ryan Scientific BB: 093-61671
ChEMBL DrugStore: CHEMBL1922282...10 total

ref: mol2, SDF, SMILES, flexibase
3.71,-6.26,-17.46,3,8,0, 443.264, 5
3818808
 
#95

ChemMol: 30113548, 97900181, 44023343, 97300318, 30117069, 97301035
Molport: MolPort-023-293-518
Acorn PharmaTech: ACN-S001936
Active BioPharma: 290
AK Scientific: X7518...98 total

ref: mol2, SDF, SMILES, flexibase
0.45,9.01,-25.29,1,7,0, 312.377, 3
mid: mol2, SDF, SMILES, flexibase
-0.01,6.74,-49.17,1,7,1, 313.385, 3
lo: mol2, SDF, SMILES, flexibase
0.45,9.48,-43.37,2,7,1, 313.385, 3

Similar to: 3965914, 3965915, 33977865, 34005938, 34028563, ... 21 in total.
35636075
 
#96

ChemMol: 97900182, 97300573
Active BioPharma: 291
AK Scientific: 6345AB
BePharm Building Blocks: B234874
Chembo Pharma: KB-78029...28 total

ref: mol2, SDF, SMILES, flexibase
3.58,8.76,-13.86,2,8,0, 469.582, 8

Similar to: 40847426,
3963016
 
#97

ChemMol: 97900184
Molport: MolPort-009-019-225
Active BioPharma: 309
AK Scientific: SYN1065, X7432
Ark Pharm Building Blocks: AK164281...51 total

ref: mol2, SDF, SMILES, flexibase
2.75,-6.5,-13.05,1,7,0, 348.362, 2

Similar to: 39366944,
19862652
 
#98

ChemMol: 97900188, 44012338
Molport: MolPort-009-019-054
Active BioPharma: 313
AK Scientific: SYN1089, X7416
Ark Pharm Building Blocks: AK-37579...36 total

ref: mol2, SDF, SMILES, flexibase
3.27,9.08,-11.61,1,6,0, 364.449, 4

Similar to: 19862654, 22129904, 38442023,
19862654
 
#99

ChemMol: 97900188, 44012338
Molport: MolPort-009-019-054
Active BioPharma: 313
AK Scientific: X7416, SYN1089
Ark Pharm Building Blocks: AK-37579...29 total

ref: mol2, SDF, SMILES, flexibase
3.27,9.05,-11.56,1,6,0, 364.449, 4

Similar to: 22129904, 38442023, 19862652,
64725931
 
#100

ChemMol: 97900812, 97900193
Active BioPharma: 1674, 334
Ark Pharm Building Blocks: AK-58455
BOC Sciences BB: 135721-98-1
Ryan Scientific: 048-04290...30 total

ref: mol2, SDF, SMILES, flexibase
4.11,9.03,-12.53,1,5,0, 407.489, 6

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 = 622 ) limit 0,100

Smiles were