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89263663
 
#1

PKChem Building Blocks: PKCBB_02673
AsisChem BB (Depleted): PKB-02673
SureChEMBL: SCHEMBL15639060
ref: mol2, SDF, SMILES, flexibase
0.89,4.15,-48.62,0,6,-1, 225.134, 2
89263659
 
#2

PKChem Building Blocks: PKCBB_02672
AsisChem BB (Depleted): PKB-02672
ref: mol2, SDF, SMILES, flexibase
0.58,4.08,-55.36,0,6,-1, 207.144, 2
89263657
 
#3

PKChem Building Blocks: PKCBB_02670
AsisChem BB (Depleted): PKB-02670
ref: mol2, SDF, SMILES, flexibase
2.84,8.12,-54.55,0,5,-1, 298.105, 2
89263655
 
#4

PKChem Building Blocks: PKCBB_02669
AsisChem BB (Depleted): PKB-02669
ref: mol2, SDF, SMILES, flexibase
1.98,7.8,-59.56,0,5,-1, 263.66, 2
89263654
 
#5

PKChem Building Blocks: PKCBB_02668
AsisChem BB (Depleted): PKB-02668
SureChEMBL: SCHEMBL15638738
ref: mol2, SDF, SMILES, flexibase
1.39,3.46,-12.81,2,4,0, 196.16, 1
89263653
 
#6

PKChem Building Blocks: PKCBB_02667
AsisChem BB (Depleted): PKB-02667
ref: mol2, SDF, SMILES, flexibase
0.27,4.05,-10.23,0,6,0, 200.205, 1
89263651
 
#7

PKChem Building Blocks: PKCBB_02666
AsisChem BB (Depleted): PKB-02666
ref: mol2, SDF, SMILES, flexibase
0.09,4.27,-49.19,0,7,-1, 218.196, 2
89263649
 
#8

PKChem Building Blocks: PKCBB_02665
AsisChem BB (Depleted): PKB-02665
ref: mol2, SDF, SMILES, flexibase
0.31,4.78,-46.09,0,7,-1, 232.223, 2
89263647
 
#9

PKChem Building Blocks: PKCBB_02664
AsisChem BB (Depleted): PKB-02664
ref: mol2, SDF, SMILES, flexibase
0.94,5.75,-8.85,0,7,0, 261.285, 4
89263644
 
#10

PKChem Building Blocks: PKCBB_02663
AsisChem BB (Depleted): PKB-02663
ref: mol2, SDF, SMILES, flexibase
3.31,5.83,-8.53,0,2,0, 224.716, 2
89263640
 
#11

PKChem Building Blocks: PKCBB_02662
AsisChem BB (Depleted): PKB-02662
ref: mol2, SDF, SMILES, flexibase
3.80,6.3,-8.62,0,2,0, 238.743, 2
89263639
 
#12

PKChem Building Blocks: PKCBB_02661
AsisChem BB (Depleted): PKB-02661
ref: mol2, SDF, SMILES, flexibase
1.83,4.72,-9.63,0,7,0, 267.676, 4
89263636
 
#13

PKChem Building Blocks: PKCBB_02660
AsisChem BB (Depleted): PKB-02660
ref: mol2, SDF, SMILES, flexibase
1.45,3.79,-9.99,0,7,0, 253.649, 3
89263635
 
#14

PKChem Building Blocks: PKCBB_02659
AsisChem BB (Depleted): PKB-02659
ref: mol2, SDF, SMILES, flexibase
0.97,3.24,-49.86,0,7,-1, 224.587, 2
89263632
 
#15

PKChem Building Blocks: PKCBB_02658
AsisChem BB (Depleted): PKB-02658
ref: mol2, SDF, SMILES, flexibase
0.61,1.09,-10.9,0,8,0, 235.203, 4
89263629
 
#16

PKChem Building Blocks: PKCBB_02657
AsisChem BB (Depleted): PKB-02657
ref: mol2, SDF, SMILES, flexibase
0.35,1.05,-50.67,0,8,-1, 220.168, 3
89263627
 
#17

PKChem Building Blocks: PKCBB_02655
AsisChem BB (Depleted): PKB-02655
ref: mol2, SDF, SMILES, flexibase
0.19,3.22,-13.61,0,6,0, 186.178, 1
89263625
 
#18

PKChem Building Blocks: PKCBB_02654
AsisChem BB (Depleted): PKB-02654
ref: mol2, SDF, SMILES, flexibase
0.86,4.91,-12.11,0,7,0, 247.258, 4
89263624
 
#19

PKChem Building Blocks: PKCBB_02653
AsisChem BB (Depleted): PKB-02653
ref: mol2, SDF, SMILES, flexibase
0.23,3.93,-49.43,0,7,-1, 218.196, 2
89263623
 
#20

PKChem Building Blocks: PKCBB_02652
AsisChem BB (Depleted): PKB-02652
ref: mol2, SDF, SMILES, flexibase
0.01,3.43,-54.51,0,7,-1, 204.169, 2
89263620
 
#21

PKChem Building Blocks: PKCBB_02651
AsisChem BB (Depleted): PKB-02651
ref: mol2, SDF, SMILES, flexibase
0.42,5.55,-54.86,0,7,-1, 218.196, 2
89263618
 
#22

PKChem Building Blocks: PKCBB_02649
AsisChem BB (Depleted): PKB-02649
ref: mol2, SDF, SMILES, flexibase
0.90,6.1,-13.51,0,7,0, 247.258, 3
89263616
 
#23

PKChem Building Blocks: PKCBB_02648
AsisChem BB (Depleted): PKB-02648
ref: mol2, SDF, SMILES, flexibase
1.44,6.3,-9.4,0,7,0, 267.676, 4
89263615
 
#24

PKChem Building Blocks: PKCBB_02647
AsisChem BB (Depleted): PKB-02647
ref: mol2, SDF, SMILES, flexibase
0.56,1.8,-10.26,3,7,0, 266.692, 2
89263612
 
#25

PKChem Building Blocks: PKCBB_02646
AsisChem BB (Depleted): PKB-02646
ref: mol2, SDF, SMILES, flexibase
0.95,1.94,-9.16,3,7,0, 287.11, 2
89263610
 
#26

PKChem Building Blocks: PKCBB_02645
AsisChem BB (Depleted): PKB-02645
ref: mol2, SDF, SMILES, flexibase
1.86,6.41,-12.02,0,6,0, 226.142, 2
89263609
 
#27

PKChem Building Blocks: PKCBB_02644
AsisChem BB (Depleted): PKB-02644
ref: mol2, SDF, SMILES, flexibase
1.37,5.45,-9.19,0,7,0, 239.622, 2
89263607
 
#28

PKChem Building Blocks: PKCBB_02640
AsisChem BB (Depleted): PKB-02640
ref: mol2, SDF, SMILES, flexibase
4.19,8.09,-10.79,0,2,0, 272.76, 2
89263605
 
#29

PKChem Building Blocks: PKCBB_02633
AsisChem BB (Depleted): PKB-02633
ref: mol2, SDF, SMILES, flexibase
0.52,0.09,-11.45,2,8,0, 230.187, 2
89263603
 
#30

PKChem Building Blocks: PKCBB_02627
AsisChem BB (Depleted): PKB-02627
ref: mol2, SDF, SMILES, flexibase
1.19,6.41,-59.53,0,6,-1, 259.241, 3
89263601
 
#31

PKChem Building Blocks: PKCBB_02626
AsisChem BB (Depleted): PKB-02626
PubChem: 66767137
SureChEMBL: SCHEMBL680255
ref: mol2, SDF, SMILES, flexibase
1.30,7.17,-56.03,0,5,-1, 247.205, 2
89263592
 
#32

PKChem Building Blocks: PKCBB_02625
AsisChem BB (Depleted): PKB-02625
SureChEMBL: SCHEMBL15279120
ref: mol2, SDF, SMILES, flexibase
1.94,7.72,-55.92,0,5,-1, 308.111, 2
89263589
 
#33

PKChem Building Blocks: PKCBB_02624
AsisChem BB (Depleted): PKB-02624
ref: mol2, SDF, SMILES, flexibase
1.58,7.77,-60,0,5,-1, 243.242, 2
89263585
 
#34

PKChem Building Blocks: PKCBB_02623
AsisChem BB (Depleted): PKB-02623
ref: mol2, SDF, SMILES, flexibase
1.81,7.62,-56.06,0,5,-1, 263.66, 2
89263584
 
#35

PKChem Building Blocks: PKCBB_02622
AsisChem BB (Depleted): PKB-02622
ref: mol2, SDF, SMILES, flexibase
2.63,8.32,-54.6,0,5,-1, 298.105, 2
89263583
 
#36

PKChem Building Blocks: PKCBB_02621
AsisChem BB (Depleted): PKB-02621
ref: mol2, SDF, SMILES, flexibase
2.63,8.07,-52.98,0,5,-1, 298.105, 2
89263580
 
#37

PKChem Building Blocks: PKCBB_00995
AsisChem BB (Depleted): PKB-00995
ref: mol2, SDF, SMILES, flexibase
2.63,3.92,-11.58,0,3,0, 251.083, 1
89263578
 
#38

PKChem Building Blocks: PKCBB_01906
AsisChem BB (Depleted): PKB-01906
ref: mol2, SDF, SMILES, flexibase
2.50,3.82,-11.75,0,3,0, 206.632, 1
89263575
 
#39

PKChem Building Blocks: PKCBB_01907
AsisChem BB (Depleted): PKB-01907
ref: mol2, SDF, SMILES, flexibase
1.98,3.39,-12.29,0,3,0, 190.177, 1
89263573
 
#40

PKChem Building Blocks: PKCBB_01908
AsisChem BB (Depleted): PKB-01908
ref: mol2, SDF, SMILES, flexibase
1.87,3.32,-13.42,0,3,0, 172.187, 1
89263571
 
#41

PKChem Building Blocks: PKCBB_01909
AsisChem BB (Depleted): PKB-01909
ref: mol2, SDF, SMILES, flexibase
2.41,3.17,-12.01,0,3,0, 237.056, 1
89263569
 
#42

PKChem Building Blocks: PKCBB_01910
AsisChem BB (Depleted): PKB-01910
ref: mol2, SDF, SMILES, flexibase
1.76,2.63,-12.73,0,3,0, 176.15, 1
89263567
 
#43

PKChem Building Blocks: PKCBB_01920
AsisChem BB (Depleted): PKB-01920
ref: mol2, SDF, SMILES, flexibase
1.64,2.56,-13.27,0,3,0, 158.16, 1
89263566
 
#44

PKChem Building Blocks: PKCBB_01914
AsisChem BB (Depleted): PKB-01914
ref: mol2, SDF, SMILES, flexibase
2.95,2.93,-7.05,2,7,0, 298.089, 2
89263564
 
#45

PKChem Building Blocks: PKCBB_01890
AsisChem BB (Depleted): PKB-01890
ref: mol2, SDF, SMILES, flexibase
1.70,0.81,-6.71,2,7,0, 209.209, 2
89263563
 
#46

PKChem Building Blocks: PKCBB_01913
AsisChem BB (Depleted): PKB-01913
ref: mol2, SDF, SMILES, flexibase
0.34,0.49,-7.37,2,7,0, 193.166, 2
89263560
 
#47

PKChem Building Blocks: PKCBB_01911
AsisChem BB (Depleted): PKB-01911
ref: mol2, SDF, SMILES, flexibase
1.03,0.28,-6.93,2,7,0, 195.182, 2
89263558
 
#48

PKChem Building Blocks: PKCBB_01894
AsisChem BB (Depleted): PKB-01894
ref: mol2, SDF, SMILES, flexibase
2.96,4.26,-8.61,2,4,0, 230.054, 1
89263556
 
#49

PKChem Building Blocks: PKCBB_01935
AsisChem BB (Depleted): PKB-01935
ref: mol2, SDF, SMILES, flexibase
0.54,-1.01,-48.05,3,5,1, 172.208, 4
hi: mol2, SDF, SMILES, flexibase
0.54,-1.31,-5.35,2,5,0, 171.2, 4
89263555
 
#50

PKChem Building Blocks: PKCBB_01935
AsisChem BB (Depleted): PKB-01935
ref: mol2, SDF, SMILES, flexibase
0.54,-1.01,-48.22,3,5,1, 172.208, 4
hi: mol2, SDF, SMILES, flexibase
0.54,-1.37,-5.52,2,5,0, 171.2, 4
89263554
 
#51

PKChem Building Blocks: PKCBB_01919
AsisChem BB (Depleted): PKB-01919
ref: mol2, SDF, SMILES, flexibase
-0.13,-1.78,-50.17,3,5,1, 158.181, 4
89263552
 
#52

PKChem Building Blocks: PKCBB_01940
AsisChem BB (Depleted): PKB-01940
ref: mol2, SDF, SMILES, flexibase
4.04,7.39,-8.24,3,4,0, 337.235, 3
89263551
 
#53

PKChem Building Blocks: PKCBB_01941
AsisChem BB (Depleted): PKB-01941
ref: mol2, SDF, SMILES, flexibase
4.04,7.09,-8.72,3,4,0, 337.235, 3
89263549
 
#54

PKChem Building Blocks: PKCBB_01951
AsisChem BB (Depleted): PKB-01951
ref: mol2, SDF, SMILES, flexibase
4.04,6.95,-7.64,3,4,0, 337.235, 3
89263546
 
#55

PKChem Building Blocks: PKCBB_01943
AsisChem BB (Depleted): PKB-01943
ref: mol2, SDF, SMILES, flexibase
3.43,6.49,-8.36,3,4,0, 302.79, 3
89263544
 
#56

PKChem Building Blocks: PKCBB_01936
AsisChem BB (Depleted): PKB-01936
ref: mol2, SDF, SMILES, flexibase
3.38,6.87,-10.1,3,4,0, 302.79, 3
89263543
 
#57

PKChem Building Blocks: PKCBB_01945
AsisChem BB (Depleted): PKB-01945
ref: mol2, SDF, SMILES, flexibase
2.75,5.97,-8.83,3,4,0, 268.345, 3
89263540
 
#58

PKChem Building Blocks: PKCBB_01946
AsisChem BB (Depleted): PKB-01946
ref: mol2, SDF, SMILES, flexibase
3.03,4.93,-6.87,3,4,0, 248.355, 3
89263538
 
#59

PKChem Building Blocks: PKCBB_01947
AsisChem BB (Depleted): PKB-01947
ref: mol2, SDF, SMILES, flexibase
1.88,3.7,-7.23,3,4,0, 220.301, 3
89263536
 
#60

PKChem Building Blocks: PKCBB_02620
AsisChem BB (Depleted): PKB-02620
ref: mol2, SDF, SMILES, flexibase
1.30,2.92,-7.54,3,4,0, 206.274, 2
89263534
 
#61

PKChem Building Blocks: PKCBB_01949
AsisChem BB (Depleted): PKB-01949
ref: mol2, SDF, SMILES, flexibase
5.47,9.17,-6.06,0,2,0, 341.65, 2
89263533
 
#62

PKChem Building Blocks: PKCBB_01921
AsisChem BB (Depleted): PKB-01921
ref: mol2, SDF, SMILES, flexibase
5.47,8.87,-6.62,0,2,0, 341.65, 2
89263526
 
#63

PKChem Building Blocks: PKCBB_01944
AsisChem BB (Depleted): PKB-01944
ref: mol2, SDF, SMILES, flexibase
5.47,8.73,-6.07,0,2,0, 341.65, 2
89263524
 
#64

PKChem Building Blocks: PKCBB_02619
AsisChem BB (Depleted): PKB-02619
ref: mol2, SDF, SMILES, flexibase
4.82,8.65,-7.65,0,2,0, 307.205, 2
89263523
 
#65

PKChem Building Blocks: PKCBB_01932
AsisChem BB (Depleted): PKB-01932
ref: mol2, SDF, SMILES, flexibase
4.46,6.71,-4.89,0,2,0, 252.77, 2
89263521
 
#66

PKChem Building Blocks: PKCBB_01931
AsisChem BB (Depleted): PKB-01931
ref: mol2, SDF, SMILES, flexibase
3.31,5.48,-5.27,0,2,0, 224.716, 2
89263519
 
#67

PKChem Building Blocks: PKCBB_01930
AsisChem BB (Depleted): PKB-01930
ref: mol2, SDF, SMILES, flexibase
2.74,4.7,-5.48,0,2,0, 210.689, 1
89263517
 
#68

PKChem Building Blocks: PKCBB_01929
AsisChem BB (Depleted): PKB-01929
ref: mol2, SDF, SMILES, flexibase
2.25,3.74,-41.39,3,3,1, 246.277, 7
hi: mol2, SDF, SMILES, flexibase
2.25,3.44,-5.82,2,3,0, 245.269, 7
89263515
 
#69

PKChem Building Blocks: PKCBB_01929
AsisChem BB (Depleted): PKB-01929
ref: mol2, SDF, SMILES, flexibase
2.25,3.74,-42.27,3,3,1, 246.277, 7
hi: mol2, SDF, SMILES, flexibase
2.25,3.35,-6.72,2,3,0, 245.269, 7
89263513
 
#70

PKChem Building Blocks: PKCBB_01928
AsisChem BB (Depleted): PKB-01928
ref: mol2, SDF, SMILES, flexibase
1.71,2.94,-41.56,3,3,1, 232.25, 6
hi: mol2, SDF, SMILES, flexibase
1.71,2.54,-6.98,2,3,0, 231.242, 6
89263508
 
#71

PKChem Building Blocks: PKCBB_01928
AsisChem BB (Depleted): PKB-01928
ref: mol2, SDF, SMILES, flexibase
1.71,2.94,-42.37,3,3,1, 232.25, 6
hi: mol2, SDF, SMILES, flexibase
1.71,2.59,-6.03,2,3,0, 231.242, 6
89263507
 
#72

PKChem Building Blocks: PKCBB_01927
AsisChem BB (Depleted): PKB-01927
ref: mol2, SDF, SMILES, flexibase
1.31,2.26,-43.38,3,3,1, 218.223, 6
hi: mol2, SDF, SMILES, flexibase
1.31,1.81,-7.31,2,3,0, 217.215, 6
89263506
 
#73

PKChem Building Blocks: PKCBB_01924
AsisChem BB (Depleted): PKB-01924
ref: mol2, SDF, SMILES, flexibase
2.28,4.15,-47.21,3,2,1, 216.251, 5
89263504
 
#74

PKChem Building Blocks: PKCBB_01924
AsisChem BB (Depleted): PKB-01924
ref: mol2, SDF, SMILES, flexibase
2.28,4.15,-47.67,3,2,1, 216.251, 5
89263503
 
#75

PKChem Building Blocks: PKCBB_01854
AsisChem BB (Depleted): PKB-01854
ref: mol2, SDF, SMILES, flexibase
2.22,3.74,-41.77,3,3,1, 246.277, 7
hi: mol2, SDF, SMILES, flexibase
2.22,3.44,-5.84,2,3,0, 245.269, 7
89263501
 
#76

PKChem Building Blocks: PKCBB_01854
AsisChem BB (Depleted): PKB-01854
ref: mol2, SDF, SMILES, flexibase
2.22,3.74,-42.38,3,3,1, 246.277, 7
hi: mol2, SDF, SMILES, flexibase
2.22,3.35,-6.77,2,3,0, 245.269, 7
89263500
 
#77

PKChem Building Blocks: PKCBB_01853
AsisChem BB (Depleted): PKB-01853
ref: mol2, SDF, SMILES, flexibase
1.59,4.4,-9.32,2,4,0, 188.234, 1
89263497
 
#78

PKChem Building Blocks: PKCBB_01851
AsisChem BB (Depleted): PKB-01851
ref: mol2, SDF, SMILES, flexibase
2.28,4.39,-7.09,2,4,0, 253.103, 1
89263496
 
#79

PKChem Building Blocks: PKCBB_01850
AsisChem BB (Depleted): PKB-01850
ref: mol2, SDF, SMILES, flexibase
2.15,4.15,-6.92,2,4,0, 208.652, 1
89263494
 
#80

PKChem Building Blocks: PKCBB_01849
AsisChem BB (Depleted): PKB-01849
ref: mol2, SDF, SMILES, flexibase
2.48,4.87,-6.75,2,4,0, 242.204, 2
89263492
 
#81

PKChem Building Blocks: PKCBB_01848
AsisChem BB (Depleted): PKB-01848
ref: mol2, SDF, SMILES, flexibase
1.57,4.47,-9.27,2,4,0, 188.234, 1
89263490
 
#82

PKChem Building Blocks: PKCBB_01846
AsisChem BB (Depleted): PKB-01846
ref: mol2, SDF, SMILES, flexibase
1.54,3.4,-6.67,2,4,0, 194.625, 1
89263488
 
#83

PKChem Building Blocks: PKCBB_01845
AsisChem BB (Depleted): PKB-01845
ref: mol2, SDF, SMILES, flexibase
1.88,5.52,-45.87,0,6,-1, 296.104, 2
89263487
 
#84

PKChem Building Blocks: PKCBB_01829
AsisChem BB (Depleted): PKB-01829
ref: mol2, SDF, SMILES, flexibase
1.66,5.04,-48.98,0,6,-1, 282.077, 2
89263486
 
#85

PKChem Building Blocks: PKCBB_01843
AsisChem BB (Depleted): PKB-01843
ref: mol2, SDF, SMILES, flexibase
1.52,6.52,-43.44,0,9,-1, 313.047, 3
89263483
 
#86

PKChem Building Blocks: PKCBB_01858
AsisChem BB (Depleted): PKB-01858
ref: mol2, SDF, SMILES, flexibase
2.37,4.93,-46.24,0,6,-1, 346.946, 2
89263481
 
#87

PKChem Building Blocks: PKCBB_01841
AsisChem BB (Depleted): PKB-01841
ref: mol2, SDF, SMILES, flexibase
2.24,4.85,-46.27,0,6,-1, 302.495, 2
89263479
 
#88

PKChem Building Blocks: PKCBB_01840
AsisChem BB (Depleted): PKB-01840
ref: mol2, SDF, SMILES, flexibase
1.66,5,-45.46,0,6,-1, 282.077, 2
89263478
 
#89

PKChem Building Blocks: PKCBB_01839
AsisChem BB (Depleted): PKB-01839
ref: mol2, SDF, SMILES, flexibase
1.44,4.51,-48.5,0,6,-1, 268.05, 2
89263475
 
#90

PKChem Building Blocks: PKCBB_01838
AsisChem BB (Depleted): PKB-01838
ref: mol2, SDF, SMILES, flexibase
1.53,4.96,-49.18,0,6,-1, 237.626, 2
89263473
 
#91

PKChem Building Blocks: PKCBB_01837
AsisChem BB (Depleted): PKB-01837
ref: mol2, SDF, SMILES, flexibase
1.39,6.41,-43.86,0,9,-1, 268.596, 3
89263471
 
#92

PKChem Building Blocks: PKCBB_01836
AsisChem BB (Depleted): PKB-01836
ref: mol2, SDF, SMILES, flexibase
2.24,4.82,-46.61,0,6,-1, 302.495, 2
89263469
 
#93

PKChem Building Blocks: PKCBB_01835
AsisChem BB (Depleted): PKB-01835
ref: mol2, SDF, SMILES, flexibase
0.55,5.93,-49.69,0,9,-1, 234.151, 3
lo: mol2, SDF, SMILES, flexibase
0.55,6.44,-58.43,1,9,0, 235.159, 3
89263467
 
#94

PKChem Building Blocks: PKCBB_01834
AsisChem BB (Depleted): PKB-01834
ref: mol2, SDF, SMILES, flexibase
1.40,4.33,-51.94,0,6,-1, 268.05, 2
lo: mol2, SDF, SMILES, flexibase
1.40,4.83,-54.62,1,6,0, 269.058, 2
89263463
 
#95

PKChem Building Blocks: PKCBB_01833
AsisChem BB (Depleted): PKB-01833
ref: mol2, SDF, SMILES, flexibase
1.31,6.76,-50.91,0,9,-1, 313.047, 3
89263462
 
#96

PKChem Building Blocks: PKCBB_01832
AsisChem BB (Depleted): PKB-01832
ref: mol2, SDF, SMILES, flexibase
2.16,5.18,-51.86,0,6,-1, 346.946, 2
89263461
 
#97

PKChem Building Blocks: PKCBB_01831
AsisChem BB (Depleted): PKB-01831
ref: mol2, SDF, SMILES, flexibase
2.10,7.82,-46.69,0,8,-1, 301.16, 4
89263460
 
#98

PKChem Building Blocks: PKCBB_01830
AsisChem BB (Depleted): PKB-01830
ref: mol2, SDF, SMILES, flexibase
2.95,6.21,-43.6,0,5,-1, 335.059, 3
89263458
 
#99

PKChem Building Blocks: PKCBB_01873
AsisChem BB (Depleted): PKB-01873
ref: mol2, SDF, SMILES, flexibase
1.60,5.16,-54.27,2,6,-1, 271.178, 3
89263455
 
#100

PKChem Building Blocks: PKCBB_01888
AsisChem BB (Depleted): PKB-01888
ref: mol2, SDF, SMILES, flexibase
2.08,8.21,-53.72,0,8,-1, 301.16, 4

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 = 705 ) limit 0,100

Smiles were