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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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1049758
 
#1

ChemMol: 44001690
eMolecules: 838034
L99A/M102Q binders: ?MFCD00159634
A&J Pharmtech: AJ-00530
ACT Chemical BB: ACT05129...74 total

ref: mol2, SDF, SMILES, flexibase
0.93,1.48,-4.69,1,2,0, 102.524, 0
967315
 
#2

ChemMol: 30110683, 97801062, 1203504, 44010869, 2100980
eMolecules: 502473
Scientific Exchange: T_01/0033
Scientific Exchange (make on demand): M-147571
Acorn PharmaTech: ACN-S001299...97 total

ref: mol2, SDF, SMILES, flexibase
1.06,1.58,-4.64,1,2,0, 146.975, 0
157367
 
#3

ChemMol: 97800737, 30111521, 44016416
eMolecules: 542745
AK Scientific: R332
AKOS: AKOS002657058
Alfa-Aesar: B20647...68 total

ref: mol2, SDF, SMILES, flexibase
1.77,3.13,-4.55,1,2,0, 222.029, 0
35824
 
#4

ChemMol: 30111518, 44014873, 83602985
eMolecules: 535289
Acros Organics: 35429
AK Scientific: R335
AKOS: AKOS000275091...85 total

ref: mol2, SDF, SMILES, flexibase
1.50,2.69,-4.89,1,2,0, 175.029, 0
35825
 
#5

eMolecules: 631469
AK Scientific: 5060AD
AKOS: AKOS000275092
Alinda Building Blocks: ALBB-000285
Ark Pharm Building Blocks: AK124435...38 total

ref: mol2, SDF, SMILES, flexibase
1.37,2.6,-4.85,1,2,0, 130.578, 0
303226
 
#6

eMolecules: 441235
Scientific Exchange (make on demand): H-087539
AKOS: AKOS000308778
Alinda: IVK/1033262
Alinda Building Blocks: ALBB-000281...38 total

ref: mol2, SDF, SMILES, flexibase
3.65,3.28,-11.98,0,4,0, 256.257, 5

Similar to: 366342, 383719, 2146854, 2986611, 4201739, ... 13 in total.
337935
 
#7

ChemMol: 30101150, 97801627, 2000002, 44004082, 30104547
eMolecules: 859495
Scientific Exchange (make on demand): M-965960
Acorn PharmaTech: ACN-S003758
Acros Organics: CC45714...108 total

ref: mol2, SDF, SMILES, flexibase
0.13,5.46,-9.04,2,4,0, 174.207, 2
19702071
 
#8

ChemMol: 44016793, 97603077, 30111889, 44001922, 30102495, 1036363
eMolecules: 2725536, 1014573
Molport: MolPort-002-501-498, MolPort-001-794-062
Scientific Exchange: M-965962
A&J Pharmtech: AJ-00317...119 total

ref: mol2, SDF, SMILES, flexibase
0.10,2.9,-11.66,1,5,0, 248.282, 1

Similar to: 23541662, 23541666,
19702069
 
#9

ChemMol: 44016792, 97602967, 30102495, 1036363, 44001922, 30111889
eMolecules: 2725536, 1014573
Molport: MolPort-001-794-062
Scientific Exchange: M-965962
A&J Pharmtech: AJ-00316...119 total

ref: mol2, SDF, SMILES, flexibase
0.10,2.88,-11.71,1,5,0, 248.282, 1

Similar to: 44868076, 44868079,
62409
 
#10

eMolecules: 1175144
Molport: MolPort-001-894-181
AKOS: AKOS000546080
BioBlocks: A1156/0054081
ChemBridge: 5102323...20 total

ref: mol2, SDF, SMILES, flexibase
1.65,8.34,-12.27,0,6,0, 240.27, 0
1635513
 
#11

Aldrich CPR: S340707|ALDRICH
Matrix Scientific: 027371
Molport BB: MolPort-003-909-102
TimTec: ST50443013
ChemDB: 6657805...13 total

ref: mol2, SDF, SMILES, flexibase
2.50,0.07,-3.63,1,2,0, 163.22, 4

Similar to: 34222331,
17058591
 
#12

eMolecules: 10002656
Molport: MolPort-002-934-634
AK Scientific: Y7686
AKOS: AKOS004123544
Anward: ANW-52528...34 total

ref: mol2, SDF, SMILES, flexibase
1.34,1.95,-3.41,1,2,0, 116.551, 0
ref: mol2, SDF, SMILES, flexibase
1.26,2.23,-9.21,0,2,0, 116.551, 0
mid: mol2, SDF, SMILES, flexibase
1.34,1.95,-5.31,1,2,0, 116.551, 0
2570045
 
#13

Molport: MolPort-016-635-687
AK Scientific: 8375AA
Aldrich CPR: PH009967|ALDRICH
Anward: ANW-58801
Ark Pharm Building Blocks: AK-62813...28 total

ref: mol2, SDF, SMILES, flexibase
3.19,0.12,-3.7,1,2,0, 165.236, 3

Similar to: 5834864, 5845699, 5845708, 5846402, 5846406, ... 12 in total.
39224
 
#14

ChemMol: 30104296, 2001053, 44003861, 96700194
eMolecules: 476650
Molport: MolPort-001-794-177
Scientific Exchange (make on demand): F-331463
Acorn PharmaTech: ACN-S002769...104 total

ref: mol2, SDF, SMILES, flexibase
1.57,2.76,-6.49,2,2,0, 144.177, 0
mid: mol2, SDF, SMILES, flexibase
1.57,3.03,-28.13,3,2,1, 145.185, 0

Similar to: 38584466, 39244714, 39245342,
167288
 
#15

eMolecules: 890294
AK Scientific: HTS004790
AKOS: AKOS001086870
Aldrich CPR: PH011638|ALDRICH
Alfa-Aesar: L12522...43 total

ref: mol2, SDF, SMILES, flexibase
3.85,1.57,-5.66,0,3,0, 207.254, 4
9584705
 
#16

ChemMol: 96705827
eMolecules: 2723173
Molport: MolPort-002-991-559
Scientific Exchange (make on demand): F-337528
AK Scientific: 6853AC...37 total

ref: mol2, SDF, SMILES, flexibase
-0.39,0.4,-8.89,3,4,0, 130.176, 1
4290646
 
#17

ChemMol: 44000580
eMolecules: 839865
Scientific Exchange (make on demand): F-406214
AK Scientific: W6838
AKOS: AKOS000269742...57 total

ref: mol2, SDF, SMILES, flexibase
1.18,1.94,-6.21,0,2,0, 179.042, 0
6119231
 
#18

ChemMol: 44011380
eMolecules: 10499909
ACT Chemical BB: ACT10148
AK Scientific: W8158
Aldrich CPR: CDS002807|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
0.52,2.32,-10.68,1,3,0, 147.963, 0
mid: mol2, SDF, SMILES, flexibase
0.52,2.07,-32.12,0,3,-1, 146.955, 0
mid: mol2, SDF, SMILES, flexibase
0.52,2.24,-4.32,1,3,0, 147.963, 0
168464
 
#19

ChemMol: 44010555, 30116725, 2101949, 97802196, 96701300
eMolecules: 933484
Molport: MolPort-015-161-206
Scientific Exchange (make on demand): F-155038
AKOS: AKOS000320222...93 total

ref: mol2, SDF, SMILES, flexibase
0.33,1.35,-13.78,3,4,0, 134.142, 0
ref: mol2, SDF, SMILES, flexibase
0.33,1.39,-8.53,3,4,0, 134.142, 0
mid: mol2, SDF, SMILES, flexibase
-0.93,1.42,-35.92,2,4,-1, 133.134, 0
3958451
 
#20

eMolecules: 1850989
Molport: MolPort-002-039-784
Scientific Exchange (make on demand): POD_35/0322
AK Scientific: 5055AB
AKOS: AKOS000266308...46 total

ref: mol2, SDF, SMILES, flexibase
1.66,3.87,-11.09,3,4,0, 186.218, 2

Similar to: 6666433, 39274805, 39383536,
96513
 
#21

eMolecules: 836886
Molport: MolPort-000-886-110
AK Scientific: 9439AE
AKOS: AKOS000304062
Aldrich CPR: CDS015152|ALDRICH...38 total

ref: mol2, SDF, SMILES, flexibase
1.67,3.48,-6.6,0,3,0, 180.203, 4

Similar to: 6406365, 6406368, 34361676, 34925249, ... 4 in total.
167170
 
#22

ChemMol: 1037361, 98001235, 44028642, 1200321
AKOS: AKOS000296878
Alfa-Aesar: B24272
Anward: ANW-36078
Apexmol Building Blocks: AM84039...57 total

ref: mol2, SDF, SMILES, flexibase
2.29,2.71,-7.39,0,2,0, 172.13, 3
12959076
 
#23

ChemMol: 96705847, 30111013, 1031179, 44006370
eMolecules: 525148
Molport: MolPort-001-790-316
Acros Organics: NP42997, 42997
AKOS: AKOS000265234...75 total

ref: mol2, SDF, SMILES, flexibase
1.12,2.11,-8.5,0,2,0, 127.168, 1
16989831
 
#24

ChemMol: 30101330, 44001749
eMolecules: 481024
Scientific Exchange (make on demand): Z-052201
ACB Blocks: ABT-0065
Acros Organics: 13640...119 total

ref: mol2, SDF, SMILES, flexibase
2.63,3.72,-5.7,2,2,0, 184.651, 0
164956
 
#25

ChemMol: 30106946, 44000817, 30100542, 1036556, 2000215
eMolecules: 493003
Scientific Exchange (make on demand): POD_67/0074
Acros Organics: 37972, SB02061
AK Scientific: L310...92 total

ref: mol2, SDF, SMILES, flexibase
2.10,0.62,-12.61,1,2,0, 159.188, 1
3882756
 
#26

eMolecules: 720644
AK Scientific: W7718
AKOS: AKOS000300143
Angene Building Blocks: AGN-PC-0C2GCB
Anward: ANW-47367...48 total

ref: mol2, SDF, SMILES, flexibase
1.34,1.81,-7.54,1,2,0, 150.177, 1

Similar to: 3882757, 34349548, 34349549, 34518956, 36466691, ... 5 in total.
3882757
 
#27

eMolecules: 720644
AK Scientific: W7718
AKOS: AKOS000300143
Angene Building Blocks: AGN-PC-0C2GCB
Anward: ANW-47367...49 total

ref: mol2, SDF, SMILES, flexibase
1.34,1.76,-7.52,1,2,0, 150.177, 1

Similar to: 34349548, 34349549, 34518956, 36466691, ... 5 in total.
15416126
 
#28

AK Scientific: 6035AE
AKOS: AKOS003582849
Alinda Building Blocks: ALBB-010056
Ark Pharm Building Blocks: AK-29435
Chembo Pharma: KB-151755...20 total

ref: mol2, SDF, SMILES, flexibase
1.94,3.82,-3.56,2,2,0, 148.209, 0

Similar to: 39222528, 39222530, 39222531,
18161766
 
#29

eMolecules: 836744
Scientific Exchange: K-041976
ACB Blocks: PAR-0193
AK Scientific: 1209AE
AKOS: AKOS001476783...39 total

ref: mol2, SDF, SMILES, flexibase
2.52,4.82,-7.57,1,3,0, 251.083, 2
ref: mol2, SDF, SMILES, flexibase
2.52,4.77,-7.5,1,3,0, 251.083, 2

Similar to: 31885610, 31886317,
5011791
 
#30

eMolecules: 926244
Scientific Exchange (make on demand): POD_63/0558
AK Scientific: 7546AA
AKOS: AKOS000265004
Alinda Building Blocks: ALBB-006596...59 total

ref: mol2, SDF, SMILES, flexibase
1.10,-0.5,-8.53,3,4,0, 149.153, 1
mid: mol2, SDF, SMILES, flexibase
1.10,-0.68,-48.53,4,4,1, 150.161, 1
131479
 
#31

ChemMol: 30113359, 44011698
eMolecules: 520504
Molport: MolPort-000-891-056
Scientific Exchange (make on demand): K-074406
AK Scientific: U755...60 total

ref: mol2, SDF, SMILES, flexibase
1.40,1.79,-3.34,0,4,0, 205.67, 1

Similar to: 41684193, 41684194, 42460686,
56817
 
#32

ChemMol: 1031021, 1201300, 30109974, 44007353, 1031016, 98001416
eMolecules: 501543, 2719926
Molport: MolPort-002-471-259
Scientific Exchange (make on demand): F-331407
ACB Blocks: AHY-0017...101 total

ref: mol2, SDF, SMILES, flexibase
2.15,-2.84,-3.97,3,3,0, 192.14, 3

Similar to: 34963204,
11919487
 
#33

eMolecules: 3725187
Molport: MolPort-003-990-677
Acorn PharmaTech: ACN-000328
Apexmol Building Blocks: AM20070158
Ark Pharm Building Blocks: AK-51295...33 total

ref: mol2, SDF, SMILES, flexibase
0.07,0.83,-26.76,4,3,1, 110.14, 0
lo: mol2, SDF, SMILES, flexibase
-0.11,0.69,-28.88,4,3,1, 110.14, 1

Similar to: 38251517,
341087
 
#34

eMolecules: 846605
Scientific Exchange (make on demand): T-027950
AK Scientific: 4951AE
AKOS: AKOS000308005
Aldrich CPR: TMT00282|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
2.29,1.77,-8.6,0,2,0, 184.622, 3

Similar to: 39250374,
1104927
 
#35

ChemMol: 30106692
AK Scientific: 2148AE
AKOS: AKOS004909167
APIChem: AC-18688
Chembo Pharma: KB-229375...18 total

ref: mol2, SDF, SMILES, flexibase
4.02,2.33,-8.58,0,2,0, 255.704, 2
12396620
 
#36

ChemMol: 97805301
eMolecules: 816650
Scientific Exchange (make on demand): F-337747
AK Scientific: Y8681
AKOS: AKOS000321426...51 total

ref: mol2, SDF, SMILES, flexibase
0.84,3.42,-10.68,0,3,0, 138.17, 2
2738050
 
#37

ChemMol: 83602962, 97804992, 44032406
eMolecules: 3724917
Molport: MolPort-001-641-013
Acorn PharmaTech: ACN-P000868
AK Scientific: W5701...74 total

ref: mol2, SDF, SMILES, flexibase
0.04,0.71,-8.04,1,3,0, 96.089, 1
4384263
 
#38

eMolecules: 1522543
Acros Organics: CC25104
AK Scientific: Y8403
AKOS: AKOS000505636
Aldrich CPR: CDS017661|ALDRICH...39 total

ref: mol2, SDF, SMILES, flexibase
0.11,3.22,-8.55,0,3,0, 124.143, 1
mid: mol2, SDF, SMILES, flexibase
0.11,3.66,-35.63,1,3,1, 125.151, 1
65247
 
#39

eMolecules: 659612
ACB Blocks: MIX-0222
Acros Organics: 40852
AK Scientific: 1170AB
AKOS: AKOS000100588...70 total

ref: mol2, SDF, SMILES, flexibase
1.82,6.44,-11.47,0,3,0, 200.241, 2

Similar to: 32115934, 32222839,
4198757
 
#40

ChemMol: 44009844
AK Scientific: Y5266
AKOS: AKOS010078554
Aldrich CPR: SYX00125|ALDRICH
Anward: ANW-57210...41 total

ref: mol2, SDF, SMILES, flexibase
1.67,3.43,-11.4,0,2,0, 155.222, 2

Similar to: 20216484,
2566818
 
#41

ChemMol: 44011022, 1202869, 83602952, 30115246
eMolecules: 728087
AK Scientific: W5536
Alfa-Aesar: H64028
Alinda Building Blocks: ALBB-004689...59 total

ref: mol2, SDF, SMILES, flexibase
0.90,1.3,-6.24,0,2,0, 113.141, 1
13483707
 
#42

ChemMol: 96705942, 97805843
AK Scientific: X8494
AKOS: AKOS000506095
Aldrich CPR: CDS008542|ALDRICH
Anward: ANW-14248...52 total

ref: mol2, SDF, SMILES, flexibase
0.61,2.3,-8.49,0,2,0, 127.168, 1
160795
 
#43

eMolecules: 925040
Molport: MolPort-001-763-963
AK Scientific: 4312AE
AKOS: AKOS015850925
Florida Heterocyclic Compounds: 27075...23 total

ref: mol2, SDF, SMILES, flexibase
3.84,0.77,-12.88,0,2,0, 241.315, 1

Similar to: 36765599, 38230361, 39245871, 39274734, 39284966, ... 8 in total.
241385
 
#44

ChemMol: 96705482, 44012948, 83602921
eMolecules: 724662
Acros Organics: CC03504
AK Scientific: Y7684
AKOS: AKOS000118350...76 total

ref: mol2, SDF, SMILES, flexibase
1.76,2.65,-8.14,0,3,0, 158.16, 1

Similar to: 34380754,
6092824
 
#45

eMolecules: 3792041
Molport: MolPort-004-759-801
AK Scientific: 0217AE
Alinda: IVK/0064818
Alinda Building Blocks: ALBB-010053...25 total

ref: mol2, SDF, SMILES, flexibase
0.42,-4.64,-13.67,2,4,0, 185.204, 2
12956226
 
#46

ChemMol: 44031526
Scientific Exchange Building Blocks: F-415848
A&J Pharmtech: AJ-02285
Alinda Building Blocks: ALBB-011815
Apexmol Building Blocks: AM20080647...20 total

ref: mol2, SDF, SMILES, flexibase
0.04,1.56,-14.11,1,3,0, 110.116, 1
mid: mol2, SDF, SMILES, flexibase
0.04,1.97,-33.5,2,3,1, 111.124, 1
1069169
 
#47

ChemMol: 30117320, 44021266, 1036025, 80100971, 83601966
eMolecules: 512797
Molport: MolPort-001-779-867
Scientific Exchange (make on demand): F-405647
Acorn PharmaTech: ACN-P000773...68 total

ref: mol2, SDF, SMILES, flexibase
-0.11,2.67,-7.07,0,3,0, 110.116, 1
mid: mol2, SDF, SMILES, flexibase
-0.11,3.13,-34.07,1,3,1, 111.124, 1
158622
 
#48

ChemMol: 96700951, 30115622, 83603104
Acros Organics: CC06004
AK Scientific: W7738
AKOS: AKOS003625809
Alfa-Aesar: H26122...61 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.82,-8.74,0,2,0, 163.201, 1

Similar to: 34328207,
35783
 
#49

ChemMol: 83600757, 30101744
eMolecules: 507716
Scientific Exchange (make on demand): POD_15/0497
AK Scientific: 6280AC
AKOS: AKOS000265664...65 total

ref: mol2, SDF, SMILES, flexibase
2.40,2.13,-9.98,0,3,0, 220.659, 2

Similar to: 6417762, 12958565, 34963140,
155120
 
#50

ChemMol: 44024734, 96700756
eMolecules: 507724
Scientific Exchange (make on demand): H-079311
Acros Organics: 32952
AKOS: AKOS000103817...80 total

ref: mol2, SDF, SMILES, flexibase
1.92,3.01,-4.15,0,2,0, 174.981, 1
39036
 
#51

ChemMol: 96705467, 83602603, 44011497, 1036002
eMolecules: 3785785
AK Scientific: HTS004752, U939
AKOS: AKOS001732208
Aldrich CPR: PH006841|ALDRICH...71 total

ref: mol2, SDF, SMILES, flexibase
1.32,2.98,-14.14,1,3,0, 146.149, 1
59446
 
#52

ChemMol: 44019709
eMolecules: 441191
ACB Blocks: MIX-0782
AK Scientific: 7295AD
AKOS: AKOS000121678...59 total

ref: mol2, SDF, SMILES, flexibase
3.05,8.89,-9.4,0,3,0, 248.285, 3

Similar to: 732131, 732136, 732137, 732139, 732153, ... 13 in total.
265625
 
#53

ChemMol: 44009649
eMolecules: 441207
Scientific Exchange (make on demand): H-036002
AK Scientific: 8059AE
AKOS: AKOS000265209...72 total

ref: mol2, SDF, SMILES, flexibase
3.11,5.71,-13.58,0,2,0, 205.644, 1
65135
 
#54

eMolecules: 523344
Scientific Exchange (make on demand): H-034823
AKOS: AKOS000103818
Alfa-Aesar: L19670
Anward: ANW-26081...57 total

ref: mol2, SDF, SMILES, flexibase
2.19,0.99,-4.09,0,2,0, 221.981, 1
158804
 
#55

ChemMol: 44027900, 42301747, 30115546, 83603253
eMolecules: 720372
Scientific Exchange (make on demand): POD_22/0262
A&J Pharmtech: AJ-02637, AJ-02317
ACB Blocks: MIX-1027...78 total

ref: mol2, SDF, SMILES, flexibase
0.55,3.11,-11.18,0,3,0, 138.17, 1

Similar to: 6666537,
2456101
 
#56

ChemMol: 96705683
Acros Organics: MO01212
AK Scientific: X6348
Aldrich CPR: CDS006240|ALDRICH
Anward: ANW-58923...35 total

ref: mol2, SDF, SMILES, flexibase
1.21,3.66,-20.73,0,3,0, 158.16, 1

Similar to: 39123982,
16977388
 
#57

ChemMol: 44026807
eMolecules: 3792213, 37036913
Molport: MolPort-019-879-232
A&J Pharmtech: AJ-02677
Acros Organics: 44987...97 total

ref: mol2, SDF, SMILES, flexibase
-0.06,0.68,-6.11,2,3,0, 101.134, 0
3651399
 
#58

eMolecules: 2579209
Molport: MolPort-004-748-415
AK Scientific: 3824AE
AKOS: AKOS001683672
ChemDiv: 8012-1018...13 total

ref: mol2, SDF, SMILES, flexibase
-0.12,1.14,-6.46,2,8,0, 194.154, 2
39083
 
#59

ChemMol: 51501670, 97801144
eMolecules: 1427820
Molport: MolPort-001-990-744
Scientific Exchange: M-982294
AK Scientific: V2668...68 total

ref: mol2, SDF, SMILES, flexibase
0.38,3.49,-10.35,2,3,0, 176.219, 1

Similar to: 340377, 3642595, 4870172, 5439712, 5439835, ... 8 in total.
54240
 
#60

eMolecules: 626422
Scientific Exchange (make on demand): X-029547
AK Scientific: 6397AA
AKOS: AKOS000202106
Aldrich CPR: R397091|ALDRICH...45 total

ref: mol2, SDF, SMILES, flexibase
0.52,1.65,-14.9,2,4,0, 179.175, 4
3885337
 
#61

eMolecules: 724287, 45576075
Scientific Exchange (make on demand): M-697208
AK Scientific: V4462
AKOS: AKOS000115604
Aldrich CPR: CDS006086|ALDRICH...62 total

ref: mol2, SDF, SMILES, flexibase
0.15,-0.09,-9.76,2,5,0, 242.3, 2
360847
 
#62

eMolecules: 846479
AK Scientific: 5252AE
AKOS: AKOS000307656
Alinda: IVK/4031015
Alinda Building Blocks: ALBB-000055...34 total

ref: mol2, SDF, SMILES, flexibase
3.06,3.21,-8.74,3,4,0, 317.197, 3
mid: mol2, SDF, SMILES, flexibase
3.06,3.35,-41.67,2,4,-1, 316.189, 3

Similar to: 1112379, 1112425, 14225007, 34647472, ... 4 in total.
314605
 
#63

eMolecules: 846477
Molport: MolPort-000-889-145
Scientific Exchange (make on demand): E-009986
AKOS: AKOS000307698
Alinda: IVK/9120775...34 total

ref: mol2, SDF, SMILES, flexibase
3.06,-5.53,-8.52,3,4,0, 317.197, 3

Similar to: 14223913, 14223917, 14223970, 14223977, 14223979, ... 6 in total.
369224
 
#64

eMolecules: 836929
AK Scientific: 6682AD
AKOS: AKOS000115403
Alinda: IBS-L0181371
Alinda Building Blocks: ALBB-000051...38 total

ref: mol2, SDF, SMILES, flexibase
1.79,-5.16,-10.73,3,5,0, 278.333, 4

Similar to: 3210859, 14224265, 17073596, 17091441, 39370697, ... 5 in total.
2565469
 
#65

eMolecules: 836923
AK Scientific: 5396AD
AKOS: AKOS000161977
Alinda: IVK/9120446
Alinda Building Blocks: ALBB-000049...31 total

ref: mol2, SDF, SMILES, flexibase
2.18,3.03,-9.68,3,4,0, 262.334, 3
hi: mol2, SDF, SMILES, flexibase
2.18,3.09,-48.64,2,4,-1, 261.326, 3

Similar to: 14224050, 34959311, 37011266,
2576724
 
#66

eMolecules: 828844
Scientific Exchange (make on demand): F-203911
AK Scientific: V3753
AKOS: AKOS000141345
Aldrich CPR: CDS005596|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
0.46,-0.61,-9.53,3,4,0, 200.263, 3

Similar to: 26513894, 34974907,
1722947
 
#67

eMolecules: 828840
AK Scientific: V3752
AKOS: AKOS000200904
Alinda: IBS-L0181365
Alinda Building Blocks: ALBB-000043...61 total

ref: mol2, SDF, SMILES, flexibase
0.08,-1.46,-9.91,3,4,0, 186.236, 2

Similar to: 32147077, 34446396,
3866442
 
#68

ChemMol: 96707883
eMolecules: 1571200, 1957789, 46396377
Molport: MolPort-001-004-046
Scientific Exchange (make on demand): POD_47/0733, Z-002130
ACB Blocks: MIX-0033...60 total

ref: mol2, SDF, SMILES, flexibase
3.92,7.67,-2.03,2,1,0, 227.351, 1

Similar to: 4255790, 5331395, 6547986, 34484481, 34484482, ... 6 in total.
4240013
 
#69

eMolecules: 836931
Scientific Exchange: POD_12/0407
AKOS: AKOS000304030
Alinda Building Blocks: ALBB-000035
ChemDiv BuildingBlocks: BB55-0010...25 total

ref: mol2, SDF, SMILES, flexibase
3.01,-6.49,-8.93,3,4,0, 306.431, 3

Similar to: 42176078, 2182083,
3877612
 
#70

ChemMol: 96707922
eMolecules: 836798
Scientific Exchange (make on demand): POD_60/0020, POD_45/0219
AK Scientific: 4017AE, 6646AD
AKOS: AKOS000122783...61 total

ref: mol2, SDF, SMILES, flexibase
3.62,6.26,-4.61,2,2,0, 234.368, 1
mid: mol2, SDF, SMILES, flexibase
3.62,6.49,-27.22,3,2,1, 235.376, 1

Similar to: 39284761,
5330544
 
#71

ChemMol: 80100885, 97801626, 30113172, 2200878
Molport: MolPort-002-479-850
Scientific Exchange (make on demand): F-405630
Aldrich CPR: CDS017810|ALDRICH
Alinda Building Blocks: ALBB-019153...43 total

ref: mol2, SDF, SMILES, flexibase
1.66,-1.73,-3.57,4,2,0, 136.198, 0

Similar to: 34223016,
17161177
 
#72

Scientific Exchange (make on demand): X-000183
AKOS: AKOS000504136
Aldrich CPR: PH011544|ALDRICH, S799947|ALDRICH
Alinda: IBS-L0213804
American Custom Chemicals Corp.: CHM0083809...24 total

ref: mol2, SDF, SMILES, flexibase
2.40,3.71,-5.67,1,2,0, 149.193, 2
11949750
 
#73

ChemMol: 2200868, 80100875
eMolecules: 206907725
Scientific Exchange (make on demand): F-328742
Alinda: IBS-L0213710
American Custom Chemicals Corp.: CHM0083907...23 total

ref: mol2, SDF, SMILES, flexibase
2.55,2.95,-8.91,1,4,0, 195.218, 4

Similar to: 33846043, 38404054, 5880532,
19507032
 
#74

ChemMol: 2200866, 80100873
Scientific Exchange (make on demand): F-329216
AK Scientific: 2927AF
AKOS: AKOS000190312
Alinda: IBS-L0213759...19 total

ref: mol2, SDF, SMILES, flexibase
2.84,3.8,-5.78,1,3,0, 193.246, 4

Similar to: 21819205, 36765420, 43444325,
11864030
 
#75

ChemMol: 80100870, 2200863
eMolecules: 206907729
Scientific Exchange (make on demand): F-330230
AK Scientific: 2992AE
Alinda: IBS-L0213769...23 total

ref: mol2, SDF, SMILES, flexibase
3.05,3.75,-8.8,1,4,0, 209.245, 5
2550025
 
#76

ChemMol: 80100863, 2200856
eMolecules: 6246843
Scientific Exchange (make on demand): F-277831
AK Scientific: 0039AF
AKOS: AKOS000111278...40 total

ref: mol2, SDF, SMILES, flexibase
2.77,0.55,-12.48,3,3,0, 280.249, 3

Similar to: 10461544, 34600389,
19230156
 
#77

AK Scientific: 0607AE
Apexmol Building Blocks: AM803719
Chembo Pharma: KB-84810
Combi-Blocks: SS-4570
Enamine Building Blocks: EN300-16261...36 total

ref: mol2, SDF, SMILES, flexibase
-0.28,2.53,-9.56,1,3,0, 161.208, 4

Similar to: 36667749, 36667751, 36677042, 36677043, 36771282, ... 12 in total.
394023
 
#78

eMolecules: 919885
AK Scientific: 4798AE
Aldrich CPR: S373265|ALDRICH
Alfa-Aesar: H32513
Chembo Pharma: KB-235683...33 total

ref: mol2, SDF, SMILES, flexibase
1.69,0.55,-9.42,2,3,0, 205.666, 1
12359877
 
#79

eMolecules: 888428
Molport: MolPort-001-793-572, MolPort-020-166-071
Acros Organics: MAY00182
AK Scientific: Y7343
Aldrich CPR: CDS000972|ALDRICH...33 total

ref: mol2, SDF, SMILES, flexibase
1.22,1.92,-5.53,3,3,0, 125.175, 2

Similar to: 39133722,
404226
 
#80

Molport: MolPort-001-776-210
AK Scientific: 4220AE
Alfa-Aesar: H31768
Apollo Scientific: PC5407
Capot Chemical: 11765...38 total

ref: mol2, SDF, SMILES, flexibase
1.17,0.28,-9.04,2,3,0, 189.211, 1

Similar to: 34669780,
19616068
 
#81

ChemMol: 51500613, 44008671, 1032516, 44500429, 30108785
Acorn PharmaTech: ACN-S003634
AK Scientific: V1126
Alfa-Aesar: H31970
Angene Building Blocks: AGN-PC-0KKP36...59 total

ref: mol2, SDF, SMILES, flexibase
0.64,1.54,-5.09,2,2,0, 112.107, 0

Similar to: 39050775, 2598983,
2584287
 
#82

ChemMol: 30116538, 1032560, 44008678
eMolecules: 906997
Molport: MolPort-000-002-914
Acros Organics: MO08070
AK Scientific: W8792...55 total

ref: mol2, SDF, SMILES, flexibase
2.42,2.4,-2.28,0,1,0, 181.544, 1
16159550
 
#83

ChemMol: 30117116, 44024913, 2101023, 97801946
Acros Organics: 43256
AK Scientific: X0100
Aldrich CPR: L510572|ALDRICH
Alfa-Aesar: H64713...46 total

ref: mol2, SDF, SMILES, flexibase
2.00,3,-10.87,1,2,0, 241.994, 1
mid: mol2, SDF, SMILES, flexibase
2.46,1.87,-31.09,0,2,-1, 240.986, 1
16159023
 
#84

ChemMol: 44024915, 30117118
Acros Organics: MAY00194
AK Scientific: Y4112
Alfa-Aesar: H61407
Angene Building Blocks: AGN-PC-058CKN...32 total

ref: mol2, SDF, SMILES, flexibase
3.48,4.76,-2.37,0,1,0, 304.891, 1
lo: mol2, SDF, SMILES, flexibase
3.48,5.05,-31.63,1,1,1, 305.899, 1
2540313
 
#85

ChemMol: 97805237, 96709225, 30116273
Acorn PharmaTech: ACN-S002138
ACT Chemical BB: ACT06692
AK Scientific: W7255
AKOS: AKOS005063506...38 total

ref: mol2, SDF, SMILES, flexibase
1.88,5.33,-5.39,0,3,0, 219.162, 4
16159704
 
#86

ChemMol: 30116735, 44027212
eMolecules: 14091440
Molport: MolPort-001-777-583
Acros Organics: MAY00192
ACT Chemical BB: ACT06695...45 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.02,-5.34,0,2,0, 177.125, 2
lo: mol2, SDF, SMILES, flexibase
1.89,3.28,-30.83,1,2,1, 178.133, 2
2510831
 
#87

ChemMol: 44009329, 1032701
AK Scientific: V1096
Alfa-Aesar: L19727
Angene Building Blocks: AGN-PC-0KL27L
Anward: ANW-36310...35 total

ref: mol2, SDF, SMILES, flexibase
0.95,1.64,-3.01,2,2,0, 130.097, 0
1672144
 
#88

ChemMol: 83603054, 30105837, 1202917, 1033310, 97802157, 44004901
eMolecules: 527282
Molport: MolPort-000-006-580
Alfa-Aesar: L19506
Angene Building Blocks: AGN-PC-09X2IF...65 total

ref: mol2, SDF, SMILES, flexibase
2.64,-0.94,-2.99,0,2,0, 183.425, 0
1693558
 
#89

ChemMol: 83603074, 1033427, 42306961, 44003305, 30103575, 97800301
eMolecules: 532666
Molport: MolPort-000-006-579
Acros Organics: 13949
AKOS: AKOS003628496...71 total

ref: mol2, SDF, SMILES, flexibase
2.83,-1.1,-2.7,0,2,0, 183.425, 0
2526710
 
#90

ChemMol: 1032544, 51500575, 44006489, 2100873, 97803569
AK Scientific: N251
Aldrich CPR: L510785|ALDRICH
Alfa-Aesar: H27208
Angene Building Blocks: AGN-PC-0KKP2B...53 total

ref: mol2, SDF, SMILES, flexibase
1.96,3.27,-6.06,0,1,0, 175.988, 0
2384112
 
#91

ChemMol: 1032884, 44005074, 30111094
Acros Organics: 44184
AK Scientific: K202
Alfa-Aesar: L20041
Angene Building Blocks: AGN-PC-0KL262...54 total

ref: mol2, SDF, SMILES, flexibase
2.46,0.13,-3.5,0,1,0, 222.988, 0
6681933
 
#92

eMolecules: 5769600
AKOS: AKOS000112511
Asinex: ASN16463619
Asinex Building Blocks: BAS16463619
Matrix Scientific: 020938...20 total

ref: mol2, SDF, SMILES, flexibase
2.38,6.23,-5.92,2,2,0, 188.274, 2

Similar to: 34557744, 39018000,
6681932
 
#93

eMolecules: 5769598, 18624882
AK Scientific: 1710AF
AKOS: AKOS000302002
Aldrich CPR: CDS018685|ALDRICH
Ark Pharm Building Blocks: AK124631...34 total

ref: mol2, SDF, SMILES, flexibase
1.49,4.52,-5.9,2,3,0, 204.273, 3
4973748
 
#94

eMolecules: 4741483, 6441236, 32355866
Molport: MolPort-016-583-271, MolPort-000-836-432
AKOS: AKOS000301835
Ark Pharm Building Blocks: AK121618
Asinex: ASN14722507...36 total

ref: mol2, SDF, SMILES, flexibase
0.70,3.22,-9.3,2,5,0, 220.276, 1
2529159
 
#95

eMolecules: 5769272
Scientific Exchange (make on demand): F-279058
AK Scientific: X9129
AKOS: AKOS000101806, AKOS015845716
Aldrich CPR: CDS020201|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
2.34,5.67,-4.15,2,2,0, 230.233, 2

Similar to: 34365006, 34365007, 36790119, 39384574, 40162536, ... 10 in total.
4944085
 
#96

Scientific Exchange (make on demand): M-960182
AKOS: AKOS000302374
Asinex: ASN13473844
Asinex Building Blocks: BAS13473844
Matrix Scientific: 019859...18 total

ref: mol2, SDF, SMILES, flexibase
1.71,4.86,-9.96,2,3,0, 189.262, 2

Similar to: 34838571, 34838578,
4944084
 
#97

eMolecules: 5769253, 18624869
Scientific Exchange (make on demand): M-960181
AKOS: AKOS000111797
Aldrich CPR: CDS019763|ALDRICH
Ark Pharm Building Blocks: AK121293...38 total

ref: mol2, SDF, SMILES, flexibase
1.21,4.09,-10.25,2,3,0, 175.235, 1

Similar to: 34838580, 34925704,
6674735
 
#98

AK Scientific: 1668AF, 0555AD, 0368AD
AKOS: AKOS000302145
Asinex: ASN13135250
Asinex Building Blocks: BAS13135250
Matrix Scientific: 033893...22 total

ref: mol2, SDF, SMILES, flexibase
2.73,4.91,-6.87,2,2,0, 210.327, 2

Similar to: 34961675, 41657241, 41657253, 41657259, 41657266, ... 8 in total.
6674278
 
#99

AK Scientific: U914, 0131AD
AKOS: AKOS000713294
Ark Pharm Building Blocks: AK126604
Asinex: ASN09577481
Chembo Pharma: KB-162645...17 total

ref: mol2, SDF, SMILES, flexibase
2.72,6.14,-9.71,1,2,0, 239.116, 3
1415049
 
#100

eMolecules: 7689839, 5769302
Molport: MolPort-000-007-642
Scientific Exchange (make on demand): F-137777, X-090620
AK Scientific: X6425, 8136AC
AKOS: AKOS000301330...52 total

ref: mol2, SDF, SMILES, flexibase
1.65,1.69,-8.85,3,3,0, 192.243, 1
lo: mol2, SDF, SMILES, flexibase
1.65,1.9,-31.23,4,3,1, 193.251, 1

Similar to: 4290865,

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 = 283 ) limit 0,100

Smiles were