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

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15215608
 
#1

ChEMBL12: CHEMBL468446
ChEMBL19: CHEMBL468446
NPACT Database: NPACT01208
ref: mol2, SDF, SMILES, flexibase
8.85,16.21,-50.38,2,4,-1, 527.725, 8
mid: mol2, SDF, SMILES, flexibase
8.85,15.8,-11.26,3,4,0, 528.733, 8
mid: mol2, SDF, SMILES, flexibase
8.27,16.29,-8.61,2,4,0, 528.733, 8
hi: mol2, SDF, SMILES, flexibase
8.85,17.3,-141.54,1,4,-2, 526.717, 8
hi: mol2, SDF, SMILES, flexibase
9.12,17.37,-126.12,1,4,-2, 526.717, 8
95099615
 
#2

NPACT Database: NPACT01574
ref: mol2, SDF, SMILES, flexibase
2.35,4.71,-14.33,1,6,0, 354.358, 2
95099613
 
#3

NPACT Database: NPACT01572
ref: mol2, SDF, SMILES, flexibase
4.84,17.67,-148.39,0,6,-2, 542.672, 5
13482857
 
#4

BOC Sciences BB (Depleted): 101219-61-8
ChEMBL12: CHEMBL462674
ChEMBL19: CHEMBL462674
NPACT Database: NPACT01566
PubChem: 5320560...5 total

ref: mol2, SDF, SMILES, flexibase
2.38,6.21,-55.29,1,5,0, 266.256, 1
mid: mol2, SDF, SMILES, flexibase
2.38,4.8,-16.05,1,5,0, 266.256, 1
hi: mol2, SDF, SMILES, flexibase
2.38,5.83,-57.86,0,5,-1, 265.248, 1
hi: mol2, SDF, SMILES, flexibase
2.38,5.79,-58.52,0,5,-1, 265.248, 1
lo: mol2, SDF, SMILES, flexibase
2.38,5.13,-47.63,2,5,1, 267.264, 1
95099611
 
#5

NPACT Database: NPACT01554
ref: mol2, SDF, SMILES, flexibase
-0.92,-8.21,-18.92,7,14,0, 578.523, 7
95099608
 
#6

NPACT Database: NPACT01553
ref: mol2, SDF, SMILES, flexibase
-1.01,-9.3,-18.97,8,15,0, 594.522, 7
hi: mol2, SDF, SMILES, flexibase
-1.01,-8.25,-65.77,7,15,-1, 593.514, 7
95099605
 
#7

NPACT Database: NPACT01550
ref: mol2, SDF, SMILES, flexibase
4.05,-0.13,-13.34,7,12,0, 750.967, 7
95099603
 
#8

NPACT Database: NPACT01544
ref: mol2, SDF, SMILES, flexibase
7.25,17.69,-104.7,0,6,-2, 524.698, 13
lo: mol2, SDF, SMILES, flexibase
6.67,16.46,-94.47,0,6,0, 525.706, 13
95099601
 
#9

NPACT Database: NPACT01542
ref: mol2, SDF, SMILES, flexibase
7.68,16.34,-72.23,1,9,-1, 659.796, 9
hi: mol2, SDF, SMILES, flexibase
7.68,17.54,-174.63,0,9,-2, 658.788, 9
95099600
 
#10

NPACT Database: NPACT01541
ref: mol2, SDF, SMILES, flexibase
2.01,1.88,-6.3,3,5,0, 364.482, 3
hi: mol2, SDF, SMILES, flexibase
2.01,2.58,-46.7,2,5,-1, 363.474, 3
hi: mol2, SDF, SMILES, flexibase
2.01,2.42,-58.11,2,5,-1, 363.474, 3
95099597
 
#11

NPACT Database: NPACT01540
ref: mol2, SDF, SMILES, flexibase
5.01,9.77,-1.01,0,0,0, 176.303, 6
95099596
 
#12

NPACT Database: NPACT01539
ref: mol2, SDF, SMILES, flexibase
5.90,16.56,-20.79,1,10,0, 606.668, 11
95099593
 
#13

TCM Database @ Taiwan: 35657
NPACT Database: NPACT01538
ref: mol2, SDF, SMILES, flexibase
0.11,1.81,-13.13,3,6,0, 364.438, 0
95099591
 
#14

NPACT Database: NPACT01537
ref: mol2, SDF, SMILES, flexibase
1.08,9.9,-15.1,0,5,0, 334.327, 1
95099589
 
#15

NPACT Database: NPACT01536
ref: mol2, SDF, SMILES, flexibase
6.97,17.44,-112.98,0,6,-2, 524.698, 11
lo: mol2, SDF, SMILES, flexibase
6.38,18.28,-96.77,0,6,0, 525.706, 11
95099587
 
#16

NPACT Database: NPACT01534
ref: mol2, SDF, SMILES, flexibase
3.29,9.74,-10.46,0,5,0, 340.375, 5
95099585
 
#17

NPACT Database: NPACT01533
ref: mol2, SDF, SMILES, flexibase
8.73,19.51,-50.91,6,10,1, 775.101, 35
hi: mol2, SDF, SMILES, flexibase
8.73,19.13,-10.92,5,10,0, 774.093, 35
95099583
 
#18

NPACT Database: NPACT01532
ref: mol2, SDF, SMILES, flexibase
3.48,1.69,-8.61,5,9,0, 620.824, 3
95099581
 
#19

NPACT Database: NPACT01531
ref: mol2, SDF, SMILES, flexibase
4.00,10.44,-11.62,1,5,0, 402.531, 10
95099579
 
#20

NPACT Database: NPACT01530
ref: mol2, SDF, SMILES, flexibase
2.56,-0.29,-10.28,6,10,0, 636.823, 3
49778013
 
#21

TCM Database @ Taiwan: 46701
ChEMBL12: CHEMBL1088482
ChEMBL19: CHEMBL1088482
NPACT Database: NPACT01529
ref: mol2, SDF, SMILES, flexibase
3.17,9.68,-47.75,0,5,-1, 359.442, 3
lo: mol2, SDF, SMILES, flexibase
3.17,8.87,-8.78,1,5,0, 360.45, 3

Similar to: 38208762, 38208763,
49778001
 
#22

TCM Database @ Taiwan: 46699
ChEMBL12: CHEMBL1087802
ChEMBL19: CHEMBL1087802
NPACT Database: NPACT01526
PubChem: 15276281...5 total

ref: mol2, SDF, SMILES, flexibase
3.24,8.1,-93.98,0,4,-2, 328.408, 1
mid: mol2, SDF, SMILES, flexibase
3.77,8.69,-42.13,0,4,-1, 329.416, 2
mid: mol2, SDF, SMILES, flexibase
3.77,8.34,-42.52,0,4,-1, 329.416, 2
lo: mol2, SDF, SMILES, flexibase
3.77,7.88,-7.28,1,4,0, 330.424, 2

Similar to: 32157067, 32157069,
95099574
 
#23

NPACT Database: NPACT01525
ref: mol2, SDF, SMILES, flexibase
4.83,8.69,-9.18,1,3,0, 318.457, 3
49793564
 
#24

ChEMBL12: CHEMBL1087925
ChEMBL19: CHEMBL1087925
NPACT Database: NPACT01523
ref: mol2, SDF, SMILES, flexibase
3.60,10.02,-53.81,0,4,-1, 327.4, 2
95099572
 
#25

NPACT Database: NPACT01522
ref: mol2, SDF, SMILES, flexibase
1.55,-3.71,-14.42,7,11,0, 652.822, 4
95099570
 
#26

NPACT Database: NPACT01518
ref: mol2, SDF, SMILES, flexibase
4.78,11.18,-10.98,1,5,0, 416.558, 10
14719612
 
#27

TCM Database @ Taiwan: 46696, 46702
ChEMBL12: CHEMBL1088627, CHEMBL1088042
ChEMBL19: CHEMBL1088042, CHEMBL1088627
NPACT Database: NPACT01340, NPACT01517
PubChem: 11175350...10 total

ref: mol2, SDF, SMILES, flexibase
4.82,7.57,-9.66,2,4,0, 344.451, 3
lo: mol2, SDF, SMILES, flexibase
4.05,9.54,-6.95,0,4,0, 344.451, 3
lo: mol2, SDF, SMILES, flexibase
4.05,9.86,-7,0,4,0, 344.451, 3
95099567
 
#28

NPACT Database: NPACT01515
ref: mol2, SDF, SMILES, flexibase
7.92,14.71,-53.49,2,6,-1, 617.847, 6
lo: mol2, SDF, SMILES, flexibase
7.92,12.72,-9.84,3,6,0, 618.855, 6
39144366
 
#29

TCM Database @ Taiwan: 39060
NPACT Database: NPACT01514
ref: mol2, SDF, SMILES, flexibase
-1.84,-8.02,-15.18,6,11,0, 430.406, 7
39109788
 
#30

NPACT Database: NPACT01513
ref: mol2, SDF, SMILES, flexibase
8.00,14.67,-5.89,1,3,0, 484.765, 6
39013243
 
#31

TCM Database @ Taiwan: 47927
NPACT Database: NPACT01512
ref: mol2, SDF, SMILES, flexibase
3.29,8.21,-12.51,2,6,0, 432.557, 10
38765178
 
#32

NPACT Database: NPACT01510
ref: mol2, SDF, SMILES, flexibase
5.47,9.58,-5.61,1,1,0, 242.362, 8

Similar to: 1858774, 8214562, 15269808, 15269811, 15269812, ... 7 in total.
95099561
 
#33

NPACT Database: NPACT01509
ref: mol2, SDF, SMILES, flexibase
2.38,7.3,-16.15,2,7,0, 434.529, 4
95099557
 
#34

NPACT Database: NPACT01506
ref: mol2, SDF, SMILES, flexibase
7.62,12.19,-15.94,4,8,0, 638.927, 25
95099555
 
#35

NPACT Database: NPACT01504
ref: mol2, SDF, SMILES, flexibase
7.98,14.65,-52.14,2,6,-1, 617.847, 6
lo: mol2, SDF, SMILES, flexibase
7.98,12.88,-11.17,3,6,0, 618.855, 6
95099553
 
#36

NPACT Database: NPACT01503
ref: mol2, SDF, SMILES, flexibase
-0.45,-7.97,-21.35,9,15,0, 624.592, 11
95099552
 
#37

TCM Database @ Taiwan: 40100
NPACT Database: NPACT01502
ref: mol2, SDF, SMILES, flexibase
-0.96,-2.67,-14.93,5,9,0, 410.419, 0
95099550
 
#38

Individual Suppliers: UNNAMED00000363
NPACT Database: NPACT01501
ref: mol2, SDF, SMILES, flexibase
7.01,4.66,-16.43,6,9,0, 676.677, 3
95099547
 
#39

NPACT Database: NPACT01500
ref: mol2, SDF, SMILES, flexibase
3.96,7.14,-50.19,2,7,-1, 475.517, 6
lo: mol2, SDF, SMILES, flexibase
3.96,5.16,-11.35,3,7,0, 476.525, 6
95099545
 
#40

NPACT Database: NPACT01497
ref: mol2, SDF, SMILES, flexibase
3.33,8.35,-48.45,2,5,1, 380.464, 3
hi: mol2, SDF, SMILES, flexibase
3.33,6.04,-10.85,1,5,0, 379.456, 3
95099543
 
#41

NPACT Database: NPACT01495
ref: mol2, SDF, SMILES, flexibase
8.63,14.27,-8.87,3,4,0, 600.884, 8
95099541
 
#42

NPACT Database: NPACT01494
ref: mol2, SDF, SMILES, flexibase
8.63,14.1,-8.61,3,4,0, 600.884, 8
95099536
 
#43

NPACT Database: NPACT01489
ref: mol2, SDF, SMILES, flexibase
8.41,12.26,-15.08,4,7,0, 596.89, 26
95099534
 
#44

NPACT Database: NPACT01488
ref: mol2, SDF, SMILES, flexibase
7.46,16.63,-101.94,2,6,-2, 636.914, 6
lo: mol2, SDF, SMILES, flexibase
7.46,14.8,-51.24,3,6,-1, 637.922, 6
95099532
 
#45

NPACT Database: NPACT01487
ref: mol2, SDF, SMILES, flexibase
4.67,7.61,-7.8,1,2,0, 284.399, 1
95099530
 
#46

NPACT Database: NPACT01486
ref: mol2, SDF, SMILES, flexibase
3.75,5.07,-52.49,4,6,-1, 503.7, 2
lo: mol2, SDF, SMILES, flexibase
3.75,3.15,-8.83,5,6,0, 504.708, 2
95099527
 
#47

NPACT Database: NPACT01485
ref: mol2, SDF, SMILES, flexibase
0.52,5.75,-13.87,4,9,0, 536.662, 4
95099525
 
#48

NPACT Database: NPACT01484
ref: mol2, SDF, SMILES, flexibase
3.13,6.96,-48.68,4,6,1, 478.694, 4
hi: mol2, SDF, SMILES, flexibase
3.13,6.65,-8.48,3,6,0, 477.686, 4
95099523
 
#49

NPACT Database: NPACT01483
ref: mol2, SDF, SMILES, flexibase
3.13,6.82,-47.31,4,6,1, 478.694, 4
hi: mol2, SDF, SMILES, flexibase
3.13,6.6,-7.38,3,6,0, 477.686, 4
95099522
 
#50

NPACT Database: NPACT01482
ref: mol2, SDF, SMILES, flexibase
2.74,5.65,-47.1,4,3,1, 334.524, 1
95099520
 
#51

NPACT Database: NPACT01481
ref: mol2, SDF, SMILES, flexibase
1.51,8.41,-12.25,1,6,0, 362.422, 5
95099518
 
#52

NPACT Database: NPACT01478
ref: mol2, SDF, SMILES, flexibase
4.04,8.43,-42.61,3,6,1, 492.721, 5
hi: mol2, SDF, SMILES, flexibase
4.04,7.59,-7.28,2,6,0, 491.713, 5
95099515
 
#53

NPACT Database: NPACT01476
ref: mol2, SDF, SMILES, flexibase
2.72,7.35,-13.03,0,2,0, 164.204, 3
95099514
 
#54

TCM Database @ Taiwan: 32489
NPACT Database: NPACT01475
ref: mol2, SDF, SMILES, flexibase
6.36,16.44,-16.2,0,4,0, 496.732, 2
95099511
 
#55

AfroDb Natural Products: AN_UY_035
NPACT Database: NPACT01474
ref: mol2, SDF, SMILES, flexibase
5.89,9.11,-12.01,3,5,0, 420.505, 6
95099510
 
#56

NPACT Database: NPACT01473
ref: mol2, SDF, SMILES, flexibase
5.21,14.9,-16.53,1,11,0, 606.709, 14
95099508
 
#57

NPACT Database: NPACT01472
ref: mol2, SDF, SMILES, flexibase
2.58,5.51,-51.66,4,3,1, 332.508, 1
95099504
 
#58

NPACT Database: NPACT01470
ref: mol2, SDF, SMILES, flexibase
9.05,17.12,-12.76,2,6,0, 578.875, 23
36426065
 
#59

NPACT Database: NPACT01469
ref: mol2, SDF, SMILES, flexibase
7.03,13.5,-11.18,0,2,0, 438.696, 0
95099502
 
#60

NPACT Database: NPACT01468
ref: mol2, SDF, SMILES, flexibase
6.71,11.88,-7.57,0,4,0, 406.522, 5
95099499
 
#61

NPACT Database: NPACT01467
ref: mol2, SDF, SMILES, flexibase
0.59,6.74,-16.04,2,7,0, 378.421, 5
95099497
 
#62

NPACT Database: NPACT01465
ref: mol2, SDF, SMILES, flexibase
4.71,14.19,-16.56,1,11,0, 592.682, 13
95099495
 
#63

NPACT Database: NPACT01464
ref: mol2, SDF, SMILES, flexibase
2.93,3.72,-9.83,2,4,0, 284.311, 3
38988885
 
#64

NPACT Database: NPACT01460
ref: mol2, SDF, SMILES, flexibase
1.41,8.51,-14.11,1,7,0, 396.48, 8
95099492
 
#65

NPACT Database: NPACT01459
ref: mol2, SDF, SMILES, flexibase
8.22,14.87,-59.39,2,6,-1, 631.874, 7
lo: mol2, SDF, SMILES, flexibase
8.22,12.9,-11.93,3,6,0, 632.882, 7
95099491
 
#66

NPACT Database: NPACT01458
ref: mol2, SDF, SMILES, flexibase
6.42,14.95,-26.51,3,16,0, 808.83, 15
hi: mol2, SDF, SMILES, flexibase
6.42,15.96,-73.54,2,16,-1, 807.822, 15
hi: mol2, SDF, SMILES, flexibase
6.42,15.47,-71.91,2,16,-1, 807.822, 15
95099490
 
#67

NPACT Database: NPACT01457
ref: mol2, SDF, SMILES, flexibase
10.27,26.26,-16.98,3,6,0, 773.152, 31
95099488
 
#68

NPACT Database: NPACT01453
ref: mol2, SDF, SMILES, flexibase
0.59,5.45,-12.5,2,7,0, 378.421, 5
95099486
 
#69

NPACT Database: NPACT01452
ref: mol2, SDF, SMILES, flexibase
7.83,14.92,-6.29,1,3,0, 484.765, 6
95099484
 
#70

NPACT Database: NPACT01450
ref: mol2, SDF, SMILES, flexibase
7.14,16.92,-97.37,2,6,-2, 636.914, 5
lo: mol2, SDF, SMILES, flexibase
7.14,15.05,-51.44,3,6,-1, 637.922, 5
95099482
 
#71

NPACT Database: NPACT01449
ref: mol2, SDF, SMILES, flexibase
3.27,2.68,-12.3,5,11,0, 678.86, 5
95099481
 
#72

NPACT Database: NPACT01447
ref: mol2, SDF, SMILES, flexibase
1.76,-1.66,-17.85,4,7,0, 316.265, 2
34495776
 
#73

NPACT Database: NPACT01445
ref: mol2, SDF, SMILES, flexibase
-0.12,4.37,-17.93,3,8,0, 398.452, 7
95099477
 
#74

NPACT Database: NPACT01444
ref: mol2, SDF, SMILES, flexibase
4.53,15.74,-24.03,1,15,0, 722.781, 19
95099476
 
#75

NPACT Database: NPACT01443
ref: mol2, SDF, SMILES, flexibase
4.60,8.74,-13.6,2,3,0, 420.593, 1
hi: mol2, SDF, SMILES, flexibase
4.60,9.54,-61.71,1,3,-1, 419.585, 1
95099474
 
#76

NPACT Database: NPACT01441
ref: mol2, SDF, SMILES, flexibase
0.78,7.75,-12.78,1,7,0, 376.405, 5
95099472
 
#77

NPACT Database: NPACT01440
ref: mol2, SDF, SMILES, flexibase
3.67,12.92,-21.76,1,13,0, 626.611, 12
95099471
 
#78

NPACT Database: NPACT01439
ref: mol2, SDF, SMILES, flexibase
3.89,3.77,-7.11,2,3,0, 256.301, 4
95099470
 
#79

NPACT Database: NPACT01438
ref: mol2, SDF, SMILES, flexibase
2.75,5.39,-10.83,1,5,0, 299.326, 3
mid: mol2, SDF, SMILES, flexibase
3.20,3.36,-59.24,0,5,-1, 298.318, 3
95099468
 
#80

NPACT Database: NPACT01437
ref: mol2, SDF, SMILES, flexibase
2.37,4.49,-10.93,1,5,0, 285.299, 2
mid: mol2, SDF, SMILES, flexibase
2.83,2.46,-59.39,0,5,-1, 284.291, 2
49780686
 
#81

TCM Database @ Taiwan: 46703
ChEMBL12: CHEMBL1088628
ChEMBL19: CHEMBL1088628
NPACT Database: NPACT01431
PubChem: 56958733...6 total

ref: mol2, SDF, SMILES, flexibase
4.44,10.34,-4.26,0,3,0, 316.441, 2
95099466
 
#82

NPACT Database: NPACT01426
ref: mol2, SDF, SMILES, flexibase
2.08,7.11,-14.19,0,5,0, 267.24, 2
13383333
 
#83

BOC Sciences BB (Depleted): 137756-13-9
ChEMBL12: CHEMBL504997
ChEMBL19: CHEMBL504997
NPACT Database: NPACT01424
ref: mol2, SDF, SMILES, flexibase
2.34,5.36,-52.27,1,5,-1, 269.28, 4
lo: mol2, SDF, SMILES, flexibase
2.34,5.62,-55.31,2,5,0, 270.288, 4
13370341
 
#84

ChEMBL12: CHEMBL479473
ChEMBL19: CHEMBL479473
NPACT Database: NPACT01423
PubChem: 11741391, 21628377
ref: mol2, SDF, SMILES, flexibase
3.02,8.7,-23.58,1,6,0, 395.455, 3
95099463
 
#85

NPACT Database: NPACT01413
ref: mol2, SDF, SMILES, flexibase
2.46,2.59,-18.35,3,9,0, 534.646, 1
95099461
 
#86

NPACT Database: NPACT01412
ref: mol2, SDF, SMILES, flexibase
2.76,3.36,-19.29,3,8,0, 504.62, 0
95099460
 
#87

NPACT Database: NPACT01411
ref: mol2, SDF, SMILES, flexibase
3.68,5.8,-13.13,3,6,0, 472.622, 2
13370327
 
#88

ChEMBL12: CHEMBL517988
ChEMBL19: CHEMBL517988
NPACT Database: NPACT01401
PubChem: 21628376, 10339670
ref: mol2, SDF, SMILES, flexibase
4.01,10.15,-22.62,0,5,0, 379.456, 3
95099457
 
#89

NPACT Database: NPACT01386
ref: mol2, SDF, SMILES, flexibase
7.42,14.44,-47.83,0,3,-1, 451.671, 3
lo: mol2, SDF, SMILES, flexibase
7.42,12.72,-6.69,1,3,0, 452.679, 3
95099455
 
#90

NPACT Database: NPACT01380
ref: mol2, SDF, SMILES, flexibase
2.16,8.88,-14.65,2,9,0, 492.565, 6
14883289
 
#91

ChEMBL12: CHEMBL467416
ChEMBL19: CHEMBL467416
NPACT Database: NPACT01376
Prous via PubChem: 373604
ref: mol2, SDF, SMILES, flexibase
5.67,10.55,-70.45,2,4,-1, 391.487, 4
mid: mol2, SDF, SMILES, flexibase
4.48,9.87,-11.89,2,4,0, 392.495, 4
mid: mol2, SDF, SMILES, flexibase
4.48,10.94,-60.01,1,4,-1, 391.487, 4
hi: mol2, SDF, SMILES, flexibase
6.39,10.89,-150.66,1,4,-2, 390.479, 4
hi: mol2, SDF, SMILES, flexibase
6.39,11.05,-120.73,1,4,-2, 390.479, 4
hi: mol2, SDF, SMILES, flexibase
6.39,9.86,-51.54,2,4,-1, 391.487, 4
5767500
 
#92

NPACT Database: NPACT01354
SureChEMBL: SCHEMBL258532
ref: mol2, SDF, SMILES, flexibase
1.12,1.2,-11.16,1,4,0, 264.321, 0

Similar to: 14692737, 14692738, 36378658,
95099417
 
#93

TCM Database @ Taiwan: 33381
NPACT Database: NPACT01335
ref: mol2, SDF, SMILES, flexibase
0.21,3.68,-11.42,2,9,0, 502.56, 1
95099416
 
#94

NPACT Database: NPACT01334
ref: mol2, SDF, SMILES, flexibase
5.01,11.43,-21.38,0,7,0, 498.616, 4
95099413
 
#95

NPACT Database: NPACT01332, NPACT01333
ref: mol2, SDF, SMILES, flexibase
5.39,13.16,-39.89,0,7,0, 512.643, 5
95099409
 
#96

NPACT Database: NPACT01330, NPACT01331
ref: mol2, SDF, SMILES, flexibase
0.94,7.18,-15.84,3,7,0, 472.578, 3
95099407
 
#97

NPACT Database: NPACT01328, NPACT01329
ref: mol2, SDF, SMILES, flexibase
3.25,9.01,-15.03,2,6,0, 456.579, 2
95099405
 
#98

TCM Database @ Taiwan: 33376
NPACT Database: NPACT01327
ref: mol2, SDF, SMILES, flexibase
1.82,6.47,-14.47,2,7,0, 470.562, 1
95099403
 
#99

TCM Database @ Taiwan: 33375
NPACT Database: NPACT01325, NPACT01326
ref: mol2, SDF, SMILES, flexibase
2.77,9.43,-12.21,1,6,0, 454.563, 1
95099401
 
#100

NPACT Database: NPACT01324
ref: mol2, SDF, SMILES, flexibase
-0.48,-0.75,-23.09,5,10,0, 536.618, 4

Old detail retrieval took 2 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 = 725 ) limit 0,100

Smiles were