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ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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1341553
 
#1

AKOS: AKOS000717031
Asinex: ASN04884080
Mcule: MCULE-9796311390
TimTec: ST50390592
ChemDB: 3894124...9 total

ref: mol2, SDF, SMILES, flexibase
5.58,0.88,-15.9,1,5,0, 436.939, 6

Similar to: 1341555, 36483786, 36483787,
1341555
 
#2

AKOS: AKOS000717031
Asinex: ASN04884080
Mcule: MCULE-9796311390
TimTec: ST50390592
ChemDB: 3894124...9 total

ref: mol2, SDF, SMILES, flexibase
5.58,0.32,-15.27,1,5,0, 436.939, 6

Similar to: 36483786, 36483787, 1341553,
36480298
 
#3

PubChem: 51731259
CombiUgi: 1
ref: mol2, SDF, SMILES, flexibase
8.24,17.36,-14.28,1,4,0, 529.124, 8

Similar to: 36480299, 36480300, 36480301, 36480302, 36480303, ... 7 in total.
36480299
 
#4

PubChem: 51731260
CombiUgi: 1
ref: mol2, SDF, SMILES, flexibase
8.24,17.61,-10.45,1,4,0, 529.124, 8

Similar to: 36480300, 36480301, 36480302, 36480303, 36480304, ... 7 in total.
36480300
 
#5

PubChem: 51731261
CombiUgi: 1
ref: mol2, SDF, SMILES, flexibase
8.24,17.86,-8.43,1,4,0, 529.124, 8

Similar to: 36480301, 36480302, 36480303, 36480304, 36480305, ... 7 in total.
36480301
 
#6

PubChem: 51731262
CombiUgi: 1
ref: mol2, SDF, SMILES, flexibase
8.24,17.21,-7.62,1,4,0, 529.124, 8

Similar to: 36480302, 36480303, 36480304, 36480305, ... 7 in total.
36480302
 
#7

PubChem: 51731263
CombiUgi: 5
ref: mol2, SDF, SMILES, flexibase
8.42,17.75,-14.8,1,4,0, 529.124, 10

Similar to: 36480303, 36480304, 36480305,
36480303
 
#8

PubChem: 51731264
CombiUgi: 5
ref: mol2, SDF, SMILES, flexibase
8.42,17.47,-12.56,1,4,0, 529.124, 10

Similar to: 36480304, 36480305, 36480298, 36480299, 36480300, ... 7 in total.
36480304
 
#9

PubChem: 51731265
CombiUgi: 5
ref: mol2, SDF, SMILES, flexibase
8.42,18.14,-9.12,1,4,0, 529.124, 10

Similar to: 36480305, 36480298, 36480299, 36480300, 36480301, ... 7 in total.
36480305
 
#10

PubChem: 51731266
CombiUgi: 5
ref: mol2, SDF, SMILES, flexibase
8.42,17.48,-8.17,1,4,0, 529.124, 10

Similar to: 36480298, 36480299, 36480300, 36480301, 36480302, ... 7 in total.
36480306
 
#11

PubChem: 51731267
CombiUgi: 66
ref: mol2, SDF, SMILES, flexibase
8.16,16.6,-13.82,1,4,0, 515.097, 10

Similar to: 36480307, 36480308, 36480309,
36480307
 
#12

PubChem: 51731268
CombiUgi: 66
ref: mol2, SDF, SMILES, flexibase
8.16,16.34,-8.61,1,4,0, 515.097, 10

Similar to: 36480308, 36480309, 36480306,
36480308
 
#13

PubChem: 51731269
CombiUgi: 66
ref: mol2, SDF, SMILES, flexibase
8.16,16.54,-15.96,1,4,0, 515.097, 10

Similar to: 36480309, 36480306, 36480307,
36480309
 
#14

PubChem: 51731270
CombiUgi: 66
ref: mol2, SDF, SMILES, flexibase
8.16,16.19,-13.38,1,4,0, 515.097, 10

Similar to: 36480306, 36480308, 36480307,
36480310
 
#15

PubChem: 51731271
CombiUgi: 70
ref: mol2, SDF, SMILES, flexibase
8.36,16.99,-16.39,1,4,0, 515.097, 12

Similar to: 36480311, 36480312, 36480313,
36480311
 
#16

PubChem: 51731272
CombiUgi: 70
ref: mol2, SDF, SMILES, flexibase
8.36,16.63,-14.07,1,4,0, 515.097, 12

Similar to: 36480312, 36480313, 36480310,
36480312
 
#17

PubChem: 51731273
CombiUgi: 70
ref: mol2, SDF, SMILES, flexibase
8.36,16.94,-13.72,1,4,0, 515.097, 12

Similar to: 36480313, 36480310, 36480311,
36480313
 
#18

PubChem: 51731274
CombiUgi: 70
ref: mol2, SDF, SMILES, flexibase
8.36,16.62,-13.95,1,4,0, 515.097, 12

Similar to: 36480310, 36480311, 36480312,
36480314
 
#19

PubChem: 51731275
CombiUgi: 71
ref: mol2, SDF, SMILES, flexibase
7.58,17.88,-11.35,1,4,0, 523.076, 8

Similar to: 36480315, 36480316, 36480317,
36480315
 
#20

PubChem: 51731276
CombiUgi: 71
ref: mol2, SDF, SMILES, flexibase
7.58,17.71,-13.09,1,4,0, 523.076, 8

Similar to: 36480316, 36480317, 36480314,
36480316
 
#21

PubChem: 51731277
CombiUgi: 71
ref: mol2, SDF, SMILES, flexibase
7.58,16.91,-15.17,1,4,0, 523.076, 8

Similar to: 36480317, 36480314, 36480315,
36480317
 
#22

PubChem: 51731278
CombiUgi: 71
ref: mol2, SDF, SMILES, flexibase
7.58,15.43,-8.22,1,4,0, 523.076, 8

Similar to: 36480314, 36480315, 36480316,
36480318
 
#23

PubChem: 51731279
CombiUgi: 75
ref: mol2, SDF, SMILES, flexibase
7.83,18.29,-13.1,1,4,0, 523.076, 10

Similar to: 36480319, 36480320, 36480321,
36480319
 
#24

PubChem: 51731280
CombiUgi: 75
ref: mol2, SDF, SMILES, flexibase
7.83,18.13,-14.18,1,4,0, 523.076, 10

Similar to: 36480320, 36480321, 36480318,
36480320
 
#25

PubChem: 51731281
CombiUgi: 75
ref: mol2, SDF, SMILES, flexibase
7.83,16.73,-12.24,1,4,0, 523.076, 10

Similar to: 36480321, 36480318, 36480319,
36480321
 
#26

PubChem: 51731282
CombiUgi: 75
ref: mol2, SDF, SMILES, flexibase
7.83,15.66,-8.78,1,4,0, 523.076, 10

Similar to: 36480318, 36480319, 36480320,
36480322
 
#27

PubChem: 51731283
CombiUgi: 81
ref: mol2, SDF, SMILES, flexibase
8.10,17.05,-7.52,1,4,0, 517.113, 10

Similar to: 36480323, 36480324, 36480325, 36480326, 36480327, ... 7 in total.
36480323
 
#28

PubChem: 51731284
CombiUgi: 81
ref: mol2, SDF, SMILES, flexibase
8.10,15.65,-7.36,1,4,0, 517.113, 10

Similar to: 36480324, 36480325, 36480326, 36480327, 36480328, ... 7 in total.
36480324
 
#29

PubChem: 51731285
CombiUgi: 81
ref: mol2, SDF, SMILES, flexibase
8.10,16.68,-11.66,1,4,0, 517.113, 10

Similar to: 36480325, 36480326, 36480327, 36480328, 36480329, ... 7 in total.
36480325
 
#30

PubChem: 51731286
CombiUgi: 81
ref: mol2, SDF, SMILES, flexibase
8.10,15.87,-6.94,1,4,0, 517.113, 10

Similar to: 36480326, 36480327, 36480328, 36480329, ... 7 in total.
36480326
 
#31

PubChem: 51731287
CombiUgi: 85
ref: mol2, SDF, SMILES, flexibase
8.31,16.81,-12.64,1,4,0, 517.113, 12

Similar to: 36480327, 36480328, 36480329,
36480327
 
#32

PubChem: 51731288
CombiUgi: 85
ref: mol2, SDF, SMILES, flexibase
8.31,16.55,-7.76,1,4,0, 517.113, 12

Similar to: 36480328, 36480329, 36480322, 36480323, 36480324, ... 7 in total.
36480328
 
#33

PubChem: 51731289
CombiUgi: 85
ref: mol2, SDF, SMILES, flexibase
8.31,17.66,-8.12,1,4,0, 517.113, 12

Similar to: 36480329, 36480322, 36480323, 36480324, 36480325, ... 7 in total.
36480329
 
#34

PubChem: 51731290
CombiUgi: 85
ref: mol2, SDF, SMILES, flexibase
8.31,15.84,-7.4,1,4,0, 517.113, 12

Similar to: 36480322, 36480323, 36480324, 36480325, 36480326, ... 7 in total.
36480330
 
#35

PubChem: 51731291
CombiUgi: 86
ref: mol2, SDF, SMILES, flexibase
6.83,14.99,-16.11,1,5,0, 513.037, 8

Similar to: 36480331, 36480332, 36480333,
36480331
 
#36

PubChem: 51731292
CombiUgi: 86
ref: mol2, SDF, SMILES, flexibase
6.83,14.53,-15.16,1,5,0, 513.037, 8

Similar to: 36480332, 36480333, 36480330,
36480332
 
#37

PubChem: 51731293
CombiUgi: 86
ref: mol2, SDF, SMILES, flexibase
6.83,15.17,-16.84,1,5,0, 513.037, 8

Similar to: 36480333, 36480330, 36480331,
36480333
 
#38

PubChem: 51731294
CombiUgi: 86
ref: mol2, SDF, SMILES, flexibase
6.83,14.79,-14.8,1,5,0, 513.037, 8

Similar to: 36480330, 36480331, 36480332,
36480334
 
#39

PubChem: 51731295
CombiUgi: 90
ref: mol2, SDF, SMILES, flexibase
7.09,15.31,-17.76,1,5,0, 513.037, 10

Similar to: 36480335, 36480336, 36480337,
36480335
 
#40

PubChem: 51731296
CombiUgi: 90
ref: mol2, SDF, SMILES, flexibase
7.09,14.9,-15.82,1,5,0, 513.037, 10

Similar to: 36480336, 36480337, 36480334,
36480336
 
#41

PubChem: 51731297
CombiUgi: 90
ref: mol2, SDF, SMILES, flexibase
7.09,15.4,-17.48,1,5,0, 513.037, 10

Similar to: 36480337, 36480334, 36480335,
36480337
 
#42

PubChem: 51731298
CombiUgi: 90
ref: mol2, SDF, SMILES, flexibase
7.09,15.02,-15.39,1,5,0, 513.037, 10

Similar to: 36480334, 36480335, 36480336,
36480338
 
#43

PubChem: 51731299
CombiUgi: 106
ref: mol2, SDF, SMILES, flexibase
6.88,14.73,-9.63,1,4,0, 487.043, 8

Similar to: 36480339, 36480340, 36480341,
36480339
 
#44

PubChem: 51731300
CombiUgi: 106
ref: mol2, SDF, SMILES, flexibase
6.88,15.02,-13.56,1,4,0, 487.043, 8

Similar to: 36480340, 36480341, 36480338,
36480340
 
#45

PubChem: 51731301
CombiUgi: 106
ref: mol2, SDF, SMILES, flexibase
6.88,14.55,-8.6,1,4,0, 487.043, 8

Similar to: 36480341, 36480338, 36480339,
36480341
 
#46

PubChem: 51731302
CombiUgi: 106
ref: mol2, SDF, SMILES, flexibase
6.88,14.85,-13.67,1,4,0, 487.043, 8

Similar to: 36480338, 36480339, 36480340,
36480342
 
#47

PubChem: 51731303
CombiUgi: 108
ref: mol2, SDF, SMILES, flexibase
7.60,16.12,-10.32,1,4,0, 513.081, 8

Similar to: 36480343, 36480344, 36480345,
36480343
 
#48

PubChem: 51731304
CombiUgi: 108
ref: mol2, SDF, SMILES, flexibase
7.60,16.55,-13.72,1,4,0, 513.081, 8

Similar to: 36480344, 36480345, 36480342,
36480344
 
#49

PubChem: 51731305
CombiUgi: 108
ref: mol2, SDF, SMILES, flexibase
7.60,15.93,-9.14,1,4,0, 513.081, 8

Similar to: 36480345, 36480342, 36480343,
36480345
 
#50

PubChem: 51731306
CombiUgi: 108
ref: mol2, SDF, SMILES, flexibase
7.60,16.24,-14.27,1,4,0, 513.081, 8

Similar to: 36480342, 36480343, 36480344,
36480346
 
#51

PubChem: 51731307
CombiUgi: 110
ref: mol2, SDF, SMILES, flexibase
7.13,15.45,-9.93,1,4,0, 487.043, 10

Similar to: 36480347, 36480348, 36480349,
36480347
 
#52

PubChem: 51731308
CombiUgi: 110
ref: mol2, SDF, SMILES, flexibase
7.13,15.44,-16.58,1,4,0, 487.043, 10

Similar to: 36480348, 36480349, 36480346,
36480348
 
#53

PubChem: 51731309
CombiUgi: 110
ref: mol2, SDF, SMILES, flexibase
7.13,14.24,-8.63,1,4,0, 487.043, 10

Similar to: 36480349, 36480346, 36480347,
36480349
 
#54

PubChem: 51731310
CombiUgi: 110
ref: mol2, SDF, SMILES, flexibase
7.13,15.09,-14.4,1,4,0, 487.043, 10

Similar to: 36480346, 36480347, 36480348,
36480350
 
#55

PubChem: 51731311
CombiUgi: 111
ref: mol2, SDF, SMILES, flexibase
8.36,17.18,-8.06,1,4,0, 517.113, 11

Similar to: 36480351, 36480352, 36480353, 36480354, 36480355, ... 7 in total.
36480351
 
#56

PubChem: 51731312
CombiUgi: 111
ref: mol2, SDF, SMILES, flexibase
8.36,16.67,-8.4,1,4,0, 517.113, 11

Similar to: 36480352, 36480353, 36480354, 36480355, 36480356, ... 7 in total.
36480352
 
#57

PubChem: 51731313
CombiUgi: 111
ref: mol2, SDF, SMILES, flexibase
8.36,17.21,-15.17,1,4,0, 517.113, 11

Similar to: 36480353, 36480354, 36480355, 36480356, 36480357, ... 7 in total.
36480353
 
#58

PubChem: 51731314
CombiUgi: 111
ref: mol2, SDF, SMILES, flexibase
8.36,16.23,-10.41,1,4,0, 517.113, 11

Similar to: 36480354, 36480355, 36480356, 36480357, ... 7 in total.
36480354
 
#59

PubChem: 51731315
CombiUgi: 115
ref: mol2, SDF, SMILES, flexibase
8.52,17.41,-8.84,1,4,0, 517.113, 13

Similar to: 36480355, 36480356, 36480357,
36480355
 
#60

PubChem: 51731316
CombiUgi: 115
ref: mol2, SDF, SMILES, flexibase
8.52,16.9,-8.92,1,4,0, 517.113, 13

Similar to: 36480356, 36480357, 36480350, 36480351, 36480352, ... 7 in total.
36480356
 
#61

PubChem: 51731317
CombiUgi: 115
ref: mol2, SDF, SMILES, flexibase
8.52,17.55,-16.43,1,4,0, 517.113, 13

Similar to: 36480357, 36480350, 36480351, 36480352, 36480353, ... 7 in total.
36480357
 
#62

PubChem: 51731318
CombiUgi: 115
ref: mol2, SDF, SMILES, flexibase
8.52,16.46,-11.08,1,4,0, 517.113, 13

Similar to: 36480350, 36480351, 36480352, 36480353, 36480354, ... 7 in total.
36480358
 
#63

PubChem: 51731319
CombiUgi: 251
ref: mol2, SDF, SMILES, flexibase
5.05,13.14,-15.01,1,7,0, 512.05, 9

Similar to: 36480359, 36480360, 36480361, 36480362, 36480363, ... 7 in total.
36480359
 
#64

PubChem: 51731320
CombiUgi: 251
ref: mol2, SDF, SMILES, flexibase
5.05,12.83,-25.46,1,7,0, 512.05, 9

Similar to: 36480360, 36480361, 36480362, 36480363, 36480364, ... 7 in total.
36480360
 
#65

PubChem: 51731321
CombiUgi: 251
ref: mol2, SDF, SMILES, flexibase
5.05,13.31,-17.04,1,7,0, 512.05, 9

Similar to: 36480361, 36480362, 36480363, 36480364, 36480365, ... 7 in total.
36480361
 
#66

PubChem: 51731322
CombiUgi: 251
ref: mol2, SDF, SMILES, flexibase
5.05,12.89,-22.92,1,7,0, 512.05, 9

Similar to: 36480362, 36480363, 36480364, 36480365, ... 7 in total.
36480362
 
#67

PubChem: 51731323
CombiUgi: 255
ref: mol2, SDF, SMILES, flexibase
5.31,13.46,-17.91,1,7,0, 512.05, 11

Similar to: 36480363, 36480364, 36480365,
36480363
 
#68

PubChem: 51731324
CombiUgi: 255
ref: mol2, SDF, SMILES, flexibase
5.31,13.12,-23.57,1,7,0, 512.05, 11

Similar to: 36480364, 36480365, 36480358, 36480359, 36480360, ... 7 in total.
36480364
 
#69

PubChem: 51731325
CombiUgi: 255
ref: mol2, SDF, SMILES, flexibase
5.31,13.37,-15.53,1,7,0, 512.05, 11

Similar to: 36480365, 36480358, 36480359, 36480360, 36480361, ... 7 in total.
36480365
 
#70

PubChem: 51731326
CombiUgi: 255
ref: mol2, SDF, SMILES, flexibase
5.31,13.05,-26.03,1,7,0, 512.05, 11

Similar to: 36480358, 36480359, 36480360, 36480361, 36480362, ... 7 in total.
36480366
 
#71

PubChem: 51731327
CombiUgi: 291
ref: mol2, SDF, SMILES, flexibase
6.85,13.08,-12.74,1,5,0, 457.014, 7

Similar to: 36480367,
36480367
 
#72

PubChem: 51731328
CombiUgi: 291
ref: mol2, SDF, SMILES, flexibase
6.85,13.44,-11.52,1,5,0, 457.014, 7

Similar to: 36480366,
36480368
 
#73

PubChem: 51731329
CombiUgi: 293
ref: mol2, SDF, SMILES, flexibase
7.57,14.76,-12.04,1,5,0, 483.052, 7

Similar to: 36480369, 36480370, 36480371, 36480372, 36480373, ... 5 in total.
36480369
 
#74

PubChem: 51731330
CombiUgi: 293
ref: mol2, SDF, SMILES, flexibase
7.57,14.25,-17.06,1,5,0, 483.052, 7

Similar to: 36480370, 36480371, 36480372, 36480373, ... 5 in total.
36480370
 
#75

PubChem: 51731331
CombiUgi: 294
ref: mol2, SDF, SMILES, flexibase
8.37,16.6,-16.58,1,5,0, 513.122, 9

Similar to: 36480371, 36480372, 36480373,
36480371
 
#76

PubChem: 51731332
CombiUgi: 294
ref: mol2, SDF, SMILES, flexibase
8.37,15.58,-17.34,1,5,0, 513.122, 9

Similar to: 36480372, 36480373, 36480368, 36480369, 36480370, ... 5 in total.
36480372
 
#77

PubChem: 51731333
CombiUgi: 295
ref: mol2, SDF, SMILES, flexibase
7.10,13.35,-13.24,1,5,0, 457.014, 9

Similar to: 36480373, 36480368, 36480369, 36480370, 36480371, ... 5 in total.
36480373
 
#78

PubChem: 51731334
CombiUgi: 295
ref: mol2, SDF, SMILES, flexibase
7.10,13.7,-12.08,1,5,0, 457.014, 9

Similar to: 36480368, 36480369, 36480370, 36480371, 36480372, ... 5 in total.
36480374
 
#79

PubChem: 51731335
CombiUgi: 296
ref: mol2, SDF, SMILES, flexibase
5.65,8.77,-16.85,2,6,0, 466.965, 7

Similar to: 36480375, 36480398, 36480399,
36480375
 
#80

PubChem: 51731336
CombiUgi: 296
ref: mol2, SDF, SMILES, flexibase
5.65,8.99,-18.8,2,6,0, 466.965, 7

Similar to: 36480398, 36480399, 36480374,
36480376
 
#81

PubChem: 51731337
CombiUgi: 298
ref: mol2, SDF, SMILES, flexibase
6.37,10.22,-22.46,2,6,0, 493.003, 7

Similar to: 36480377, 36480400, 36480401,
36480377
 
#82

PubChem: 51731338
CombiUgi: 298
ref: mol2, SDF, SMILES, flexibase
6.37,11.02,-15.9,2,6,0, 493.003, 7

Similar to: 36480400, 36480401, 36480376,
36480378
 
#83

PubChem: 51731339
CombiUgi: 299
ref: mol2, SDF, SMILES, flexibase
7.25,11.97,-17.3,2,6,0, 523.073, 9

Similar to: 36480379, 36480402, 36480403,
36480379
 
#84

PubChem: 51731340
CombiUgi: 299
ref: mol2, SDF, SMILES, flexibase
7.25,11.66,-20.67,2,6,0, 523.073, 9

Similar to: 36480402, 36480403, 36480378,
36480380
 
#85

PubChem: 51731341
CombiUgi: 300
ref: mol2, SDF, SMILES, flexibase
5.91,9.46,-17.25,2,6,0, 466.965, 9

Similar to: 36480381, 36480404, 36480405,
36480381
 
#86

PubChem: 51731342
CombiUgi: 300
ref: mol2, SDF, SMILES, flexibase
5.91,9.24,-19.58,2,6,0, 466.965, 9

Similar to: 36480404, 36480405, 36480380,
36480382
 
#87

PubChem: 51731343
CombiUgi: 301
ref: mol2, SDF, SMILES, flexibase
5.68,8.77,-18.03,2,6,0, 466.965, 7

Similar to: 36480383, 36480526, 36480527,
36480383
 
#88

PubChem: 51731344
CombiUgi: 301
ref: mol2, SDF, SMILES, flexibase
5.68,8.99,-18.55,2,6,0, 466.965, 7

Similar to: 36480526, 36480527, 36480382,
36480384
 
#89

PubChem: 51731345
CombiUgi: 303
ref: mol2, SDF, SMILES, flexibase
6.40,10.21,-23.55,2,6,0, 493.003, 7

Similar to: 36480385, 36480528, 36480529,
36480385
 
#90

PubChem: 51731346
CombiUgi: 303
ref: mol2, SDF, SMILES, flexibase
6.40,11.02,-16.56,2,6,0, 493.003, 7

Similar to: 36480528, 36480529, 36480384,
36480386
 
#91

PubChem: 51731347
CombiUgi: 304
ref: mol2, SDF, SMILES, flexibase
7.28,11.97,-18.97,2,6,0, 523.073, 9

Similar to: 36480387, 36480530, 36480531,
36480387
 
#92

PubChem: 51731348
CombiUgi: 304
ref: mol2, SDF, SMILES, flexibase
7.28,11.66,-21.94,2,6,0, 523.073, 9

Similar to: 36480530, 36480531, 36480386,
36480388
 
#93

PubChem: 51731349
CombiUgi: 305
ref: mol2, SDF, SMILES, flexibase
5.93,9.46,-18.41,2,6,0, 466.965, 9

Similar to: 36480389, 36480532, 36480533,
36480389
 
#94

PubChem: 51731350
CombiUgi: 305
ref: mol2, SDF, SMILES, flexibase
5.93,9.24,-19.28,2,6,0, 466.965, 9

Similar to: 36480532, 36480533, 36480388,
36480390
 
#95

PubChem: 51731351
CombiUgi: 306
ref: mol2, SDF, SMILES, flexibase
6.98,13.36,-11.06,1,5,0, 479.02, 7

Similar to: 36480391,
36480391
 
#96

PubChem: 51731352
CombiUgi: 306
ref: mol2, SDF, SMILES, flexibase
6.98,13.07,-12.39,1,5,0, 479.02, 7

Similar to: 36480390,
36480392
 
#97

PubChem: 51731353
CombiUgi: 308
ref: mol2, SDF, SMILES, flexibase
7.70,14.54,-11.49,1,5,0, 505.058, 7

Similar to: 36480393, 36480418, 36480419,
36480393
 
#98

PubChem: 51731354
CombiUgi: 308
ref: mol2, SDF, SMILES, flexibase
7.70,14.52,-13.01,1,5,0, 505.058, 7

Similar to: 36480418, 36480419, 36480392,
36480394
 
#99

PubChem: 51731355
CombiUgi: 309
ref: mol2, SDF, SMILES, flexibase
8.46,17.06,-10.07,1,5,0, 535.128, 9

Similar to: 36480395, 36480420, 36480421,
36480395
 
#100

PubChem: 51731356
CombiUgi: 309
ref: mol2, SDF, SMILES, flexibase
8.46,16.47,-12.29,1,5,0, 535.128, 9

Similar to: 36480420, 36480421, 36480394,

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 = 364 ) limit 0,100

Smiles were