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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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5007983
 
#1

Molport: MolPort-001-891-346
AKOS: AKOS000578139
Asinex: BAS02748782
TimTec: ST50744647
ChemDB: 3847426...7 total

ref: mol2, SDF, SMILES, flexibase
2.16,-1.32,-19.22,3,8,0, 357.395, 7

Similar to: 26493270, 26493274,
18190794
 
#2

eMolecules: 1528128, 30363997
AKOS: AKOS000629060, AKOS005537373
Asinex: BAS11132334
IBScreen: STOCK5S-45126
Innovapharm: STT-00394202...17 total

ref: mol2, SDF, SMILES, flexibase
2.92,12.87,-20.68,1,8,0, 432.48, 5
mid: mol2, SDF, SMILES, flexibase
3.10,13.42,-59.67,2,8,1, 433.488, 5
5007978
 
#3

eMolecules: 1397181
Molport: MolPort-001-982-874
AKOS: AKOS000578052
Aldrich CPR: TMT00453|ALDRICH
Asinex: BAS02748755...19 total

ref: mol2, SDF, SMILES, flexibase
2.72,5.99,-5.14,2,5,0, 255.343, 7
12707787
 
#4

Molport: MolPort-000-059-750
AKOS: AKOS000784017
Asinex: ASN05113057
TimTec: ST50348889
ChemDB: 3903215...7 total

ref: mol2, SDF, SMILES, flexibase
3.75,13.08,-53.87,3,7,1, 469.993, 7
12705870
 
#5

Molport: MolPort-000-059-254
AKOS: AKOS000769637
Asinex: ASN05112216
TimTec: ST50346386
ChemDB: 3902695...8 total

ref: mol2, SDF, SMILES, flexibase
4.49,15.23,-56.19,3,6,1, 468.021, 6

Similar to: 33716609, 33716610, 12646228, 12646232, ... 4 in total.
6546103
 
#6

AKOS: AKOS000720673
Asinex: ASN04445886
TimTec: ST50377410
ChemDB: 3888370
PubChem: 3188292...5 total

ref: mol2, SDF, SMILES, flexibase
4.21,-1.05,-22.45,2,8,0, 484.556, 9
13571176
 
#7

eMolecules: 1516840
AKOS: AKOS000593728
Asinex: BAS09618041
ChemBridge: 7808916
Mcule: MCULE-7936151520...18 total

ref: mol2, SDF, SMILES, flexibase
1.03,0.15,-20.22,4,8,0, 346.368, 4
hi: mol2, SDF, SMILES, flexibase
1.03,0.17,-53.4,3,8,-1, 345.36, 4

Similar to: 31666983, 31668119, 31668536, 42677048, 44259808, ... 7 in total.
4439791
 
#8

Scientific Exchange (make on demand): M-701596
AKOS: AKOS000654902
Asinex: BAS09536277
TimTec: ST50287167
ChEMBL12: CHEMBL1431159...11 total

ref: mol2, SDF, SMILES, flexibase
2.29,2.93,-44.19,0,6,-1, 348.426, 7
4439790
 
#9

eMolecules: 1514641
Molport: MolPort-002-015-146
Scientific Exchange (make on demand): M-701567
AKOS: AKOS000654828
Alinda: IBS-L0150234...18 total

ref: mol2, SDF, SMILES, flexibase
2.57,3.55,-50.04,0,6,-1, 344.463, 7
672611
 
#10

eMolecules: 1423936
Molport: MolPort-001-516-932
Scientific Exchange (make on demand): E-009598
AKOS: AKOS000490011
Alinda: IBS-L0043948...29 total

ref: mol2, SDF, SMILES, flexibase
2.74,4.43,-59.66,2,8,-1, 371.398, 5
lo: mol2, SDF, SMILES, flexibase
2.74,4.44,-21.56,3,8,0, 372.406, 5
4439781
 
#11

eMolecules: 1510004
Molport: MolPort-002-013-983
Scientific Exchange (make on demand): M-774630
AKOS: AKOS000608401
Asinex: BAS08854539...14 total

ref: mol2, SDF, SMILES, flexibase
2.67,-5.49,-14.55,2,5,0, 324.427, 6
hi: mol2, SDF, SMILES, flexibase
2.67,-5.07,-54.43,1,5,-1, 323.419, 6

Similar to: 8332352, 8332354, 20956108, 20956122, 25117313, ... 17 in total.
4439780
 
#12

eMolecules: 1509880
Molport: MolPort-002-013-922
Scientific Exchange (make on demand): M-774631
AKOS: AKOS000608399
Asinex: BAS08850412...13 total

ref: mol2, SDF, SMILES, flexibase
1.78,-6.23,-14.96,2,6,0, 340.426, 7
hi: mol2, SDF, SMILES, flexibase
1.78,-5.81,-55.1,1,6,-1, 339.418, 7

Similar to: 24347809, 25558473, 25794418, 26351522, 31953885, ... 5 in total.
4439776
 
#13

eMolecules: 1507157
Molport: MolPort-002-012-984
Scientific Exchange (make on demand): M-665633
AKOS: AKOS000628418
Asinex: BAS08311270...14 total

ref: mol2, SDF, SMILES, flexibase
2.44,-5.13,-14.27,2,5,0, 322.411, 6
hi: mol2, SDF, SMILES, flexibase
2.44,-4.7,-54.1,1,5,-1, 321.403, 6

Similar to: 25117313, 25937173,
4439775
 
#14

eMolecules: 1504015
Molport: MolPort-002-011-944
Scientific Exchange (make on demand): M-666909
AKOS: AKOS000435505
Asinex: BAS07788264...15 total

ref: mol2, SDF, SMILES, flexibase
0.34,-2.5,-43.15,2,9,-1, 340.337, 5
hi: mol2, SDF, SMILES, flexibase
-0.12,-5.57,-43.99,2,9,-1, 340.337, 5
4439774
 
#15

eMolecules: 1504013
Molport: MolPort-002-011-943
Scientific Exchange (make on demand): M-666908
AKOS: AKOS000435536
Asinex: BAS07788263...18 total

ref: mol2, SDF, SMILES, flexibase
1.52,-0.46,-42.61,2,7,-1, 308.339, 3
mid: mol2, SDF, SMILES, flexibase
1.06,1.41,-18.03,3,7,0, 309.347, 3
mid: mol2, SDF, SMILES, flexibase
1.52,-0.76,-53.65,2,7,-1, 308.339, 3
hi: mol2, SDF, SMILES, flexibase
1.06,2.28,-51.94,2,7,-1, 308.339, 3
4439773
 
#16

eMolecules: 1502852
Molport: MolPort-002-011-553
Scientific Exchange (make on demand): M-774596
AKOS: AKOS000606758
Asinex: BAS07592145...14 total

ref: mol2, SDF, SMILES, flexibase
1.34,-6.15,-15.45,2,8,0, 392.433, 7
hi: mol2, SDF, SMILES, flexibase
1.34,-5.72,-55.57,1,8,-1, 391.425, 7

Similar to: 6362103, 7361031, 20957183, 20957220, 20957239, ... 10 in total.
4439772
 
#17

Molport: MolPort-002-678-823
AKOS: AKOS000729182
Asinex: BAS07022177
TimTec: ST50575539
ChemDB: 5180618...7 total

ref: mol2, SDF, SMILES, flexibase
1.77,5.89,-24.28,2,7,0, 354.391, 5
4439770
 
#18

AKOS: AKOS000729306
Asinex: BAS07021902
TimTec: ST50282211
ChemDB: 5180566
PubChem: 3155271...6 total

ref: mol2, SDF, SMILES, flexibase
3.25,-7.61,-16.89,1,6,0, 408.888, 5
hi: mol2, SDF, SMILES, flexibase
3.25,-7.08,-47.16,0,6,-1, 407.88, 5

Similar to: 26528585,
2066644
 
#19

eMolecules: 1085059
Molport: MolPort-001-982-844, MolPort-001-829-375
AKOS: AKOS000505383
Asinex: BAS02747848, BAS00608730
ChemBridge: 5683575...19 total

ref: mol2, SDF, SMILES, flexibase
5.87,15,-10.62,0,3,0, 402.563, 3
5007959
 
#20

Asinex: BAS00287162
ChemDB: 5621163
PubChem: 7453181, 3271012
ref: mol2, SDF, SMILES, flexibase
3.63,-0.23,-10.61,0,3,0, 259.349, 4

Similar to: 5686369, 4933976,
5007956
 
#21

eMolecules: 25824723
Molport: MolPort-001-982-815
AKOS: AKOS000444126
American Custom Chemicals Corp.: CHM0233797
Asinex: BAS02747301...15 total

ref: mol2, SDF, SMILES, flexibase
1.71,4.51,-17.64,2,8,0, 403.46, 9

Similar to: 33932660,
5007954
 
#22

AKOS: AKOS000684044
Asinex: ASN11174446
TimTec: ST51175061
ChemDB: 3934470
PubChem: 857469...7 total

ref: mol2, SDF, SMILES, flexibase
5.16,-0.54,-41.47,2,2,1, 303.857, 3

Similar to: 4861348,
5007952
 
#23

eMolecules: 25824721
Molport: MolPort-001-982-811
AKOS: AKOS000443874
American Custom Chemicals Corp.: CHM0233796
Asinex: BAS02746976...15 total

ref: mol2, SDF, SMILES, flexibase
1.26,2.75,-21.42,2,8,0, 389.433, 9

Similar to: 6904886,
5007936
 
#24

AKOS: AKOS000743926
Asinex: ASN11174130
TimTec: ST50315626
PubChem: 6490649
Ambinter: Amb9127364...5 total

ref: mol2, SDF, SMILES, flexibase
-2.00,-2.95,-19.47,4,9,0, 238.207, 5
5007933
 
#25

eMolecules: 25824709
Molport: MolPort-001-982-787
Scientific Exchange (make on demand): H-038128
AKOS: AKOS000443903
American Custom Chemicals Corp.: CHM0233790...13 total

ref: mol2, SDF, SMILES, flexibase
0.67,-1.26,-15.2,4,10,0, 410.386, 9
3132761
 
#26

Molport: MolPort-001-830-744
AKOS: AKOS000576809
Asinex: BAS00286888
TimTec: ST50221232
ChemDB: 5780056...6 total

ref: mol2, SDF, SMILES, flexibase
0.82,-3.76,-15.6,3,9,0, 308.342, 7

Similar to: 4855089, 6264147, 520174, 548851, ... 4 in total.
3132723
 
#27

Molport: MolPort-001-832-431
AKOS: AKOS000576915
Asinex: BAS00286844
TimTec: ST50000900
ChemDB: 4983251...7 total

ref: mol2, SDF, SMILES, flexibase
0.35,0.39,-15.61,1,8,0, 280.284, 6

Similar to: 5361139, 21712415, 25388759, 25394297, 43670725, ... 5 in total.
5007907
 
#28

eMolecules: 1396821
Molport: MolPort-001-982-746
AKOS: AKOS000713071
Asinex: BAS02729663
Mcule: MCULE-5336985757...13 total

ref: mol2, SDF, SMILES, flexibase
2.39,2.15,-23.06,1,10,0, 411.37, 8

Similar to: 5802899, 5802900, 7400516, 7400517, 7400518, ... 30 in total.
5007901
 
#29

eMolecules: 1396821
Molport: MolPort-001-982-746
AKOS: AKOS000713071
Asinex: BAS02729663
Mcule: MCULE-5336985757...13 total

ref: mol2, SDF, SMILES, flexibase
2.39,2.19,-22.06,1,10,0, 411.37, 8

Similar to: 5802899, 5802900, 7400516, 7400517, 7400518, ... 26 in total.
5007877
 
#30

AKOS: AKOS000744396
Asinex: ASN11172652
Mcule: MCULE-9713704778
TimTec: ST50375431
Vitas-M: STL388547...8 total

ref: mol2, SDF, SMILES, flexibase
3.41,-0.63,-18.9,1,8,0, 392.202, 4
5007867
 
#31

Molport: MolPort-001-982-657
AKOS: AKOS000621240
Asinex: BAS02722626
TimTec: ST50732484
ChemDB: 5145884...6 total

ref: mol2, SDF, SMILES, flexibase
2.93,-4.56,-26.19,3,7,0, 364.452, 9
5007865
 
#32

eMolecules: 1396519
Molport: MolPort-001-982-655
AKOS: AKOS000621217
Asinex: BAS02722599
ChemBridge: 6351143...14 total

ref: mol2, SDF, SMILES, flexibase
1.21,4.8,-17.4,2,4,0, 263.347, 4
hi: mol2, SDF, SMILES, flexibase
1.28,2.95,-47.95,1,4,-1, 262.339, 4
5007860
 
#33

AKOS: AKOS000696762
Asinex: ASN11156244
TimTec: ST50395606
PubChem: 7453170, 6490637
Ambinter: Amb5401558...6 total

ref: mol2, SDF, SMILES, flexibase
1.85,2.71,-16.82,0,7,0, 357.41, 6
5007859
 
#34

Asinex: BAS02718332
ChemBridge: 6158250
ref: mol2, SDF, SMILES, flexibase
0.97,-1.07,-56.54,2,7,1, 360.463, 5
5007858
 
#35

eMolecules: 20353001
Molport: MolPort-001-982-581
AKOS: AKOS000589010
Asinex: BAS02718096
ChemBridge: 6411843...14 total

ref: mol2, SDF, SMILES, flexibase
3.80,-0.35,-19.85,2,5,0, 380.831, 6

Similar to: 6280267, 6343998,
5007857
 
#36

Molport: MolPort-001-982-579
AKOS: AKOS000588944
Asinex: BAS02718047
Mcule: MCULE-7550882246
TimTec: ST50265708...9 total

ref: mol2, SDF, SMILES, flexibase
4.32,1.22,-17.23,1,4,0, 356.853, 6

Similar to: 2979494,
5007856
 
#37

AKOS: AKOS000696762
Asinex: ASN11156244
TimTec: ST50395606
PubChem: 7453168, 6490637
Ambinter: Amb5401558...6 total

ref: mol2, SDF, SMILES, flexibase
1.85,2.8,-18.13,0,7,0, 357.41, 6
5007855
 
#38

eMolecules: 25824677
Molport: MolPort-001-982-578
AKOS: AKOS000588943
Asinex: BAS02717990
ChemBridge: 6387212...16 total

ref: mol2, SDF, SMILES, flexibase
1.20,0.49,-78.45,2,7,-1, 369.397, 8

Similar to: 2978741, 2978743,
5007853
 
#39

eMolecules: 25824677
Molport: MolPort-001-982-578
AKOS: AKOS000588943
Asinex: BAS02717990
ChemBridge: 6387212...17 total

ref: mol2, SDF, SMILES, flexibase
1.20,0.56,-77.3,2,7,-1, 369.397, 8

Similar to: 2978741, 2978743,
5007852
 
#40

eMolecules: 25824675
Molport: MolPort-001-982-577
AKOS: AKOS000588907
Asinex: BAS02717988
ChemBridge: 6416254...18 total

ref: mol2, SDF, SMILES, flexibase
1.36,11.14,-69.56,2,7,-1, 403.414, 8

Similar to: 2982632, 2982634,
5007851
 
#41

eMolecules: 25824675
Molport: MolPort-001-982-577
AKOS: AKOS000588907
Asinex: BAS02717988
ChemBridge: 6416254...19 total

ref: mol2, SDF, SMILES, flexibase
1.36,11.57,-78.11,2,7,-1, 403.414, 8

Similar to: 2982632, 2982634,
5007850
 
#42

eMolecules: 25824673
Molport: MolPort-001-982-576
AKOS: AKOS000588906
Asinex: BAS02717986
ChemBridge: 6427195...15 total

ref: mol2, SDF, SMILES, flexibase
-0.11,-0.47,-61.72,2,7,-1, 327.316, 6

Similar to: 2983102, 2983104,
5007849
 
#43

eMolecules: 25824673
Molport: MolPort-001-982-576
AKOS: AKOS000588906
Asinex: BAS02717986
ChemBridge: 6427195...15 total

ref: mol2, SDF, SMILES, flexibase
-0.11,-0.43,-62.34,2,7,-1, 327.316, 6

Similar to: 2983102, 2983104,
5007848
 
#44

AKOS: AKOS000696762
Asinex: ASN11156244
TimTec: ST50395606
PubChem: 7453158, 6490637
Ambinter: Amb5401558...6 total

ref: mol2, SDF, SMILES, flexibase
1.85,2.65,-16.3,0,7,0, 357.41, 6
5007847
 
#45

eMolecules: 25824671
Molport: MolPort-001-982-575
AKOS: AKOS000588870
Asinex: BAS02717983
ChemDiv: 3632-0076...12 total

ref: mol2, SDF, SMILES, flexibase
3.19,0.65,-24.52,2,7,0, 418.449, 10

Similar to: 2982176,
5007845
 
#46

Molport: MolPort-019-739-898, MolPort-001-982-560
AKOS: AKOS000589079
American Custom Chemicals Corp.: HCH0270198
Asinex: BAS02717841
Mcule: MCULE-6075139015...12 total

ref: mol2, SDF, SMILES, flexibase
2.29,1.55,-74.97,2,6,-1, 397.426, 8

Similar to: 5155556, 5155559, 33711279, 33711281, ... 7 in total.
5007844
 
#47

Molport: MolPort-019-739-898, MolPort-001-982-560
AKOS: AKOS000589079
American Custom Chemicals Corp.: HCH0270198
Asinex: BAS02717841
Mcule: MCULE-6075139015...12 total

ref: mol2, SDF, SMILES, flexibase
2.29,0.43,-68.56,2,6,-1, 397.426, 8

Similar to: 5155556, 5155559, 33711279, 33711281, ... 7 in total.
5007843
 
#48

AKOS: AKOS000696762
Asinex: ASN11156244
TimTec: ST50395606
PubChem: 7453153, 6490637
Ambinter: Amb5401558...6 total

ref: mol2, SDF, SMILES, flexibase
1.85,2.61,-16.74,0,7,0, 357.41, 6
5007841
 
#49

Molport: MolPort-000-924-736
AKOS: AKOS000567450
Asinex: BAS00286527
TimTec: ST51179791
ChEMBL12: CHEMBL1579016...10 total

ref: mol2, SDF, SMILES, flexibase
5.80,12.47,-6.87,1,2,0, 331.459, 3

Similar to: 15643809, 3438045,
5007835
 
#50

eMolecules: 1396169
Molport: MolPort-001-982-527
Scientific Exchange (make on demand): E-076547
AKOS: AKOS000594812
Asinex: BAS02716722...15 total

ref: mol2, SDF, SMILES, flexibase
4.18,-4.53,-22.26,1,5,0, 412.964, 8

Similar to: 2978515, 4839008,
5007834
 
#51

eMolecules: 1396163
Molport: MolPort-001-982-525
Scientific Exchange (make on demand): E-076488
AKOS: AKOS000594781
Asinex: BAS02716668...17 total

ref: mol2, SDF, SMILES, flexibase
3.26,7.17,-20.46,1,5,0, 396.509, 9
5007829
 
#52

eMolecules: 1396123
Molport: MolPort-001-982-516
Scientific Exchange (make on demand): E-076219
AKOS: AKOS000386370
Asinex: BAS02716405...17 total

ref: mol2, SDF, SMILES, flexibase
3.54,7.91,-25.89,1,5,0, 392.546, 9
5007825
 
#53

Asinex: BAS02715823
ref: mol2, SDF, SMILES, flexibase
2.71,-2.66,-57.69,1,6,1, 422.958, 6

Similar to: 19890981, 19905118, 25253906, 25453446, 25453526, ... 15 in total.
5007817
 
#54

Asinex: BAS02715452
ref: mol2, SDF, SMILES, flexibase
2.41,-2.02,-60.06,1,7,1, 404.512, 6

Similar to: 10283548,
5007812
 
#55

eMolecules: 1395967
Molport: MolPort-001-982-466
Scientific Exchange (make on demand): E-074821
AKOS: AKOS000595048
Asinex: BAS02715066...13 total

ref: mol2, SDF, SMILES, flexibase
2.46,-4.84,-20.25,1,6,0, 383.47, 8
5007803
 
#56

eMolecules: 1395939
Molport: MolPort-001-982-461
Scientific Exchange (make on demand): E-074485
AKOS: AKOS000594895
Asinex: BAS02714744...17 total

ref: mol2, SDF, SMILES, flexibase
3.68,-3.1,-13.7,1,6,0, 390.505, 8

Similar to: 25887288,
5007795
 
#57

Molport: MolPort-001-982-435
AKOS: AKOS000543060
Asinex: BAS02712551
TimTec: ST51190307
ChemDB: 5145641...7 total

ref: mol2, SDF, SMILES, flexibase
3.25,1.56,-11.21,1,5,0, 377.419, 7

Similar to: 33932647,
5007794
 
#58

Molport: MolPort-001-982-433
AKOS: AKOS000543003
American Custom Chemicals Corp.: CHM0233739
Asinex: BAS02712534
TimTec: ST50302473...11 total

ref: mol2, SDF, SMILES, flexibase
0.78,3.19,-10.06,1,5,0, 234.255, 5
5007791
 
#59

Molport: MolPort-001-982-431
AKOS: AKOS000543001
American Custom Chemicals Corp.: CHM0233737
Asinex: BAS02712520
TimTec: ST50265655...8 total

ref: mol2, SDF, SMILES, flexibase
0.25,-2.3,-17.35,3,7,0, 326.356, 7

Similar to: 33721966, 33721968,
5007790
 
#60

Molport: MolPort-001-982-430
AKOS: AKOS000542978
American Custom Chemicals Corp.: CHM0233736
Asinex: BAS02712510
TimTec: ST50574430...8 total

ref: mol2, SDF, SMILES, flexibase
2.81,0.81,-11.88,1,7,0, 419.481, 10
5007789
 
#61

Molport: MolPort-001-982-429
AKOS: AKOS000542954
American Custom Chemicals Corp.: CHM0233734
Asinex: BAS02712507
TimTec: ST50302471...8 total

ref: mol2, SDF, SMILES, flexibase
2.41,2.15,-14.95,1,6,0, 382.489, 6
5007788
 
#62

Molport: MolPort-001-982-428
AKOS: AKOS000542953
American Custom Chemicals Corp.: CHM0286808
Asinex: BAS02712501
TimTec: ST50302470...8 total

ref: mol2, SDF, SMILES, flexibase
2.10,2.57,-12.55,1,7,0, 381.432, 8

Similar to: 6630642,
5007785
 
#63

Molport: MolPort-001-982-427
AKOS: AKOS000542920
Asinex: BAS02712482
TimTec: ST51196103
ChemDB: 5145616...7 total

ref: mol2, SDF, SMILES, flexibase
3.04,1.88,-17.96,1,6,0, 398.466, 7
5007783
 
#64

Molport: MolPort-001-982-426
AKOS: AKOS000542891
American Custom Chemicals Corp.: HCH0254178
Asinex: BAS02712471
TimTec: ST51194802...8 total

ref: mol2, SDF, SMILES, flexibase
3.79,0.68,-9.89,1,5,0, 393.874, 7
5007781
 
#65

Scientific Exchange (make on demand): M-816789
AKOS: AKOS000767509
Alinda: IBS-L0151148
Asinex: ASN11140664
Mcule: MCULE-2789355383...10 total

ref: mol2, SDF, SMILES, flexibase
0.81,-6.94,-19.7,2,7,0, 342.417, 8
5007780
 
#66

eMolecules: 25824577
Molport: MolPort-001-891-056
AKOS: AKOS000543306
Asinex: BAS02712459
IBScreen: STOCK7S-07347...12 total

ref: mol2, SDF, SMILES, flexibase
1.45,-1,-8.54,2,5,0, 269.304, 5

Similar to: 6959351, 33932641,
5007778
 
#67

Molport: MolPort-001-982-425
AKOS: AKOS000543279
American Custom Chemicals Corp.: CHM0233733
Asinex: BAS02712449
TimTec: ST50339274...8 total

ref: mol2, SDF, SMILES, flexibase
3.02,1.96,-15.62,1,7,0, 368.389, 9

Similar to: 6654934, 6656109, 6656112, 6656114, 6656201, ... 6 in total.
5007774
 
#68

eMolecules: 25824547
Molport: MolPort-001-982-412
AKOS: AKOS000543088
American Custom Chemicals Corp.: CHM0231636
Asinex: BAS02712130...12 total

ref: mol2, SDF, SMILES, flexibase
1.11,-0.37,-8.81,1,6,0, 302.311, 3

Similar to: 6251529, 6251530, 8379390,
8767752
 
#69

eMolecules: 46503719
Molport: MolPort-000-840-396
AKOS: AKOS005543328
Asinex: BAS02712129
Mcule: MCULE-3220654517...8 total

ref: mol2, SDF, SMILES, flexibase
0.93,-1.86,-18.52,1,7,0, 286.243, 3

Similar to: 19905112, 33593643,
5007772
 
#70

Scientific Exchange (make on demand): M-816789
AKOS: AKOS000767509
Alinda: IBS-L0151148
Asinex: ASN11140664
Mcule: MCULE-2789355383...10 total

ref: mol2, SDF, SMILES, flexibase
0.81,-6.98,-19.87,2,7,0, 342.417, 8
5007765
 
#71

Asinex: ASN11136747
ref: mol2, SDF, SMILES, flexibase
3.98,-4.47,-51.79,2,4,1, 374.917, 4
5007763
 
#72

Asinex: ASN11136747
ref: mol2, SDF, SMILES, flexibase
3.98,-4.49,-51.82,2,4,1, 374.917, 4
63685
 
#73

eMolecules: 1975226
AKOS: AKOS001597107
Asinex: BAS02643496
ChemDiv: 1682-7795
Mcule: MCULE-6424006893...16 total

ref: mol2, SDF, SMILES, flexibase
3.05,8.37,-12.91,0,5,0, 314.385, 4
5007755
 
#74

Molport: MolPort-001-982-288
Scientific Exchange (make on demand): E-062070
AKOS: AKOS000621086
Asinex: BAS02640513
Mcule: MCULE-5344258723...12 total

ref: mol2, SDF, SMILES, flexibase
2.92,2.36,-50.23,1,6,-1, 358.377, 5

Similar to: 34600602, 34629599, 34635258, 34635759, 34660116, ... 17 in total.
5007753
 
#75

Molport: MolPort-001-921-254
AKOS: AKOS000601530
Asinex: BAS00285930
Chembo Pharma: KB-27722
Oakwood Chemical: 043194...22 total

ref: mol2, SDF, SMILES, flexibase
0.25,2.13,-37.51,3,3,1, 157.237, 3

Similar to: 6295589, 34938167, 34974153, 37116380, 37116381, ... 5 in total.
5007751
 
#76

eMolecules: 25824489
Molport: MolPort-001-982-277
AKOS: AKOS000621280
Asinex: BAS02626843
ChemBridge: 6325462...8 total

ref: mol2, SDF, SMILES, flexibase
3.27,-0.67,-29,1,5,0, 304.305, 2
5007749
 
#77

AKOS: AKOS000344743
Asinex: ASN11125645
Mcule: MCULE-7775859740
Synthon-Lab: SL040448
TimTec: ST50376518...6 total

ref: mol2, SDF, SMILES, flexibase
3.37,3.02,-13.45,0,7,0, 421.515, 9
5007743
 
#78

Molport: MolPort-001-982-267
AKOS: AKOS000649917
Asinex: BAS02618597
TimTec: ST50265582
ChemDB: 5145380...7 total

ref: mol2, SDF, SMILES, flexibase
5.87,-0.33,-9.87,1,3,0, 307.422, 4

Similar to: 33932631,
5007742
 
#79

Molport: MolPort-001-982-265
AKOS: AKOS000649878
Asinex: BAS02618235
TimTec: ST50265580
ChemDB: 5145374...7 total

ref: mol2, SDF, SMILES, flexibase
4.61,-2.88,-13.15,1,5,0, 360.461, 4

Similar to: 33932629,
5007740
 
#80

AKOS: AKOS000336516
Asinex: ASN11125628
Synthon-Lab: SL040358
TimTec: ST50743746
PubChem: 6490593...5 total

ref: mol2, SDF, SMILES, flexibase
3.53,4.94,-16.08,0,7,0, 410.451, 6

Similar to: 33735904, 33735905,
5007741
 
#81

Asinex: BAS00285929
ref: mol2, SDF, SMILES, flexibase
-0.81,-0.32,-40.98,3,4,1, 159.209, 3

Similar to: 31571933, 34553481, 37864356, 38250965, ... 4 in total.
5007737
 
#82

AKOS: AKOS000744186
Asinex: ASN11125627
TimTec: ST50378536
PubChem: 6490592
ref: mol2, SDF, SMILES, flexibase
3.64,2.56,-10.43,0,6,0, 397.88, 7
5007735
 
#83

Molport: MolPort-001-982-234
AKOS: AKOS000660270
Asinex: BAS02617843
TimTec: ST50014006
ChemDB: 5145339...7 total

ref: mol2, SDF, SMILES, flexibase
6.25,-1.17,-8.48,1,3,0, 411.741, 4

Similar to: 6255651, 6255653, 6330133, 6330214, 23409887, ... 31 in total.
5007734
 
#84

Molport: MolPort-001-982-233
AKOS: AKOS000660269
Asinex: BAS02617842
TimTec: ST50014005
ChemDB: 5145336...7 total

ref: mol2, SDF, SMILES, flexibase
5.37,1.15,-11.15,0,3,0, 357.862, 5

Similar to: 5086710, 25909777, 4801396,
5007733
 
#85

Molport: MolPort-001-982-232
AKOS: AKOS000660239
Asinex: BAS02617834
TimTec: ST50265548
Innovapharm Make-on-Demand: VT-00503650...8 total

ref: mol2, SDF, SMILES, flexibase
4.91,0.19,-13.16,1,5,0, 380.469, 7

Similar to: 25908819, 25910036, 25912539, 40165970, 40165972, ... 16 in total.
5007732
 
#86

eMolecules: 1395252
Molport: MolPort-001-982-221
AKOS: AKOS000659955
Asinex: BAS02617741
Mcule: MCULE-1139488719...12 total

ref: mol2, SDF, SMILES, flexibase
4.63,1.39,-9.58,0,4,0, 325.865, 8

Similar to: 6520039,
5007725
 
#87

Molport: MolPort-001-887-857
AKOS: AKOS000660236
Asinex: BAS02617618
TimTec: ST50265502
UORSY Make-on-demand: PB17963356...7 total

ref: mol2, SDF, SMILES, flexibase
2.73,2.69,-11.19,0,4,0, 244.323, 3

Similar to: 6301054, 6633099, 3352804,
5007724
 
#88

AKOS: AKOS000336634
Asinex: ASN11125594
Synthon-Lab: SL040366
TimTec: ST50315622
ChemDB: 5530000...7 total

ref: mol2, SDF, SMILES, flexibase
1.82,2.82,-10.53,0,6,0, 322.386, 5

Similar to: 33584696, 33584698, 33584700, 33584702, ... 4 in total.
5007709
 
#89

Molport: MolPort-001-982-177
AKOS: AKOS000659924
Asinex: BAS02617580
TimTec: ST50265484
ChemDB: 6444291...7 total

ref: mol2, SDF, SMILES, flexibase
4.05,1.95,-14.67,1,7,0, 396.472, 7

Similar to: 5861423, 6914209, 9532677, 10163445, 34865674, ... 9 in total.
5007699
 
#90

AKOS: AKOS000344874
Asinex: ASN11125569
Synthon-Lab: SL040494
TimTec: ST50743744
PubChem: 6490576...5 total

ref: mol2, SDF, SMILES, flexibase
1.39,-0.26,-18.85,2,8,0, 392.433, 8
308509
 
#91

Asinex: BAS02617554
ChemDB: 5151849
PubChem: 801322
AKOS (make-on-demand): AKOS002465487
ref: mol2, SDF, SMILES, flexibase
3.95,-0.64,-12.56,1,5,0, 344.484, 5

Similar to: 7329784, 7329787, 7329788, 39577047, 39577048, ... 6 in total.
5007696
 
#92

Asinex: BAS02617486
ref: mol2, SDF, SMILES, flexibase
3.02,0.28,-43.55,1,6,1, 382.513, 6

Similar to: 19904983, 26098775, 33761219,
5007694
 
#93

AKOS: AKOS000336956
Asinex: ASN11125564
Synthon-Lab: SL040387
TimTec: ST50374666
PubChem: 6490575...5 total

ref: mol2, SDF, SMILES, flexibase
3.02,3.06,-9.38,0,7,0, 393.461, 7
5007691
 
#94

AKOS: AKOS000336577
Asinex: ASN11125563
Synthon-Lab: SL040393
TimTec: ST50379341
PubChem: 6490574...5 total

ref: mol2, SDF, SMILES, flexibase
2.28,1.52,-13.4,0,8,0, 393.417, 6
5007682
 
#95

Molport: MolPort-001-982-137
AKOS: AKOS000588794
American Custom Chemicals Corp.: HCH0189546
Asinex: BAS02617145
Mcule: MCULE-7014804586...12 total

ref: mol2, SDF, SMILES, flexibase
2.90,0.95,-57.93,1,5,-1, 335.133, 4
5007681
 
#96

Molport: MolPort-001-891-051
AKOS: AKOS000588762
American Custom Chemicals Corp.: CHM0195970
Asinex: BAS02617142
Mcule: MCULE-4309487865...11 total

ref: mol2, SDF, SMILES, flexibase
2.05,2.23,-56.01,1,8,-1, 301.234, 5
5007678
 
#97

AKOS: AKOS000336957
Asinex: ASN11125558
Synthon-Lab: SL040388
TimTec: ST45306287
PubChem: 6490572...5 total

ref: mol2, SDF, SMILES, flexibase
1.84,2.36,-18.08,0,8,0, 403.46, 5

Similar to: 33714890,
5007677
 
#98

eMolecules: 25824445
Molport: MolPort-001-982-131
AKOS: AKOS000588663
Asinex: BAS02617009
ChemDiv: 3379-2707...14 total

ref: mol2, SDF, SMILES, flexibase
4.17,-0.08,-60.57,2,6,-1, 413.881, 10
5007675
 
#99

Molport: MolPort-001-982-122
AKOS: AKOS000589077
Asinex: BAS02616911
TimTec: ST51182737
ChEMBL12: CHEMBL1578561...11 total

ref: mol2, SDF, SMILES, flexibase
-0.07,6.79,-73.26,2,8,-1, 345.331, 7
5007674
 
#100

Molport: MolPort-001-982-122
AKOS: AKOS000589077
Asinex: BAS02616911
TimTec: ST51182737
ChEMBL12: CHEMBL1578561...11 total

ref: mol2, SDF, SMILES, flexibase
-0.07,6.94,-75.27,2,8,-1, 345.331, 7

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 = 7 ) limit 0,100

Smiles were