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77980343
 
#1

Wisdom Chemicals: 3X0884-2XX-A9XX
ref: mol2, SDF, SMILES, flexibase
0.89,3.97,-11.38,1,5,0, 263.322, 1
77980339
 
#2

Wisdom Chemicals: 3X0884-2XX-A8XX
ref: mol2, SDF, SMILES, flexibase
2.38,6.69,-12.64,1,4,0, 310.378, 1
77980335
 
#3

Wisdom Chemicals: 3X0884-2XX-99XX
ref: mol2, SDF, SMILES, flexibase
3.09,6.87,-12.41,1,5,0, 358.463, 3
77980333
 
#4

Wisdom Chemicals: 3X0884-2XX-94XX
ref: mol2, SDF, SMILES, flexibase
2.23,5.23,-11.17,1,5,0, 300.339, 1
77980330
 
#5

Wisdom Chemicals: 3X0884-2XX-93XX
ref: mol2, SDF, SMILES, flexibase
2.93,7.3,-15.7,1,5,0, 352.415, 3
77980326
 
#6

Wisdom Chemicals: 3X0884-2XX-86XX
ref: mol2, SDF, SMILES, flexibase
3.04,7.47,-9.85,1,4,0, 328.437, 2
77980324
 
#7

Wisdom Chemicals: 3X0884-2XX-81XX
ref: mol2, SDF, SMILES, flexibase
2.36,6.66,-13.78,1,4,0, 310.378, 1
77980320
 
#8

Wisdom Chemicals: 3X0884-2XX-79XX
ref: mol2, SDF, SMILES, flexibase
3.45,8.12,-16.25,1,5,0, 352.415, 3
77980318
 
#9

Wisdom Chemicals: 3X0884-2XX-78XX
ref: mol2, SDF, SMILES, flexibase
3.15,8.44,-11.49,1,4,0, 350.443, 3
77980315
 
#10

Wisdom Chemicals: 3X0884-2XX-04XX
ref: mol2, SDF, SMILES, flexibase
1.35,4.42,-13.15,1,4,0, 280.374, 2
77980312
 
#11

Wisdom Chemicals: 3X0884-2XX-03XX
ref: mol2, SDF, SMILES, flexibase
0.79,3.42,-12.57,1,4,0, 266.347, 1
77980309
 
#12

Wisdom Chemicals: 3X0884-2X6-1103
ref: mol2, SDF, SMILES, flexibase
1.64,5.28,-12.96,1,5,0, 343.433, 2
77980305
 
#13

Wisdom Chemicals: 3X0884-2X6-1101
ref: mol2, SDF, SMILES, flexibase
1.85,6.21,-13.17,1,5,0, 337.404, 2
77980303
 
#14

Wisdom Chemicals: 3X0884-2X6-1002
ref: mol2, SDF, SMILES, flexibase
2.22,5.11,-14.6,1,5,0, 343.433, 2
lo: mol2, SDF, SMILES, flexibase
2.22,5.57,-37.17,2,5,1, 344.441, 2
77980299
 
#15

Wisdom Chemicals: 3X0884-2X6-0804
ref: mol2, SDF, SMILES, flexibase
2.44,5.52,-11.36,1,5,0, 332.406, 2
77980292
 
#16

Wisdom Chemicals: 3X0884-2X6-0801
ref: mol2, SDF, SMILES, flexibase
2.85,6.58,-11.1,1,5,0, 326.377, 2
77980289
 
#17

Wisdom Chemicals: 3X0884-2X6-0204
ref: mol2, SDF, SMILES, flexibase
2.56,6.83,-13.63,1,4,0, 342.445, 2
77980286
 
#18

Wisdom Chemicals: 3X0884-2X6-0201
ref: mol2, SDF, SMILES, flexibase
2.97,7.86,-13.85,1,4,0, 336.416, 2
77980284
 
#19

Wisdom Chemicals: 3X0884-2X6-0103
ref: mol2, SDF, SMILES, flexibase
2.78,7.08,-13.16,1,4,0, 342.445, 2
77980282
 
#20

Wisdom Chemicals: 3X0884-2X4-1301
ref: mol2, SDF, SMILES, flexibase
1.64,5.76,-14.09,1,6,0, 319.386, 3
77980277
 
#21

Wisdom Chemicals: 3X0884-2X4-1203
ref: mol2, SDF, SMILES, flexibase
1.56,4.86,-12.45,1,6,0, 345.424, 3
77980275
 
#22

Wisdom Chemicals: 3X0884-2X4-1201
ref: mol2, SDF, SMILES, flexibase
0.90,3.42,-11.8,1,6,0, 319.386, 3
77980270
 
#23

Wisdom Chemicals: 3X0884-2X4-1102
ref: mol2, SDF, SMILES, flexibase
1.23,3.59,-11.93,1,6,0, 331.397, 4
77980265
 
#24

Wisdom Chemicals: 3X0884-2X4-0502
ref: mol2, SDF, SMILES, flexibase
2.64,7.37,-13.13,1,5,0, 344.436, 5
77980263
 
#25

Wisdom Chemicals: 3X0884-2X4-0205
ref: mol2, SDF, SMILES, flexibase
2.83,7.72,-15.42,1,5,0, 366.442, 4
77980260
 
#26

Wisdom Chemicals: 3X0884-2X4-0201
ref: mol2, SDF, SMILES, flexibase
1.97,5.29,-14.45,1,5,0, 318.398, 3
77980255
 
#27

Wisdom Chemicals: 3X0884-2X4-0107
ref: mol2, SDF, SMILES, flexibase
2.75,6.83,-14.35,1,5,0, 372.471, 4
77980252
 
#28

Wisdom Chemicals: 3X0884-2X4-0105
ref: mol2, SDF, SMILES, flexibase
2.85,7.74,-13.88,1,5,0, 366.442, 4
77980248
 
#29

Wisdom Chemicals: 3X0884-2X4-0102
ref: mol2, SDF, SMILES, flexibase
2.13,6.27,-12.1,1,5,0, 330.409, 4
77980240
 
#30

Wisdom Chemicals: 3X0884-2X2-2022
ref: mol2, SDF, SMILES, flexibase
3.23,7.75,-18.05,2,6,0, 399.516, 4
77980235
 
#31

Wisdom Chemicals: 3X0884-2X2-0822
ref: mol2, SDF, SMILES, flexibase
2.64,6.67,-16.31,2,6,0, 385.489, 3
77980230
 
#32

Wisdom Chemicals: 3X0884-2X2-0722
ref: mol2, SDF, SMILES, flexibase
2.67,6.66,-18.39,2,6,0, 385.489, 3
77980225
 
#33

Wisdom Chemicals: 3X0884-2X2-0631
ref: mol2, SDF, SMILES, flexibase
1.89,5.26,-12.98,2,6,0, 359.451, 4
77980220
 
#34

Wisdom Chemicals: 3X0884-2X2-0622
ref: mol2, SDF, SMILES, flexibase
2.46,5.44,-11.81,2,6,0, 365.499, 4
77980217
 
#35

Wisdom Chemicals: 3X0823-2XX-A1XX
ref: mol2, SDF, SMILES, flexibase
3.15,10.03,-13.22,0,5,0, 393.874, 3
lo: mol2, SDF, SMILES, flexibase
3.15,10.49,-43.38,1,5,1, 394.882, 3
77980213
 
#36

Wisdom Chemicals: 3X0823-2XX-99XX
ref: mol2, SDF, SMILES, flexibase
3.27,9.8,-13.2,0,6,0, 403.482, 4
lo: mol2, SDF, SMILES, flexibase
3.27,10.26,-42.47,1,6,1, 404.49, 4
77980208
 
#37

Wisdom Chemicals: 3X0823-2XX-86XX
ref: mol2, SDF, SMILES, flexibase
3.22,10.51,-11.73,0,5,0, 373.456, 3
lo: mol2, SDF, SMILES, flexibase
3.22,10.97,-41.33,1,5,1, 374.464, 3
77980206
 
#38

Wisdom Chemicals: 3X0823-2XX-78XX
ref: mol2, SDF, SMILES, flexibase
3.33,11.31,-13.8,0,5,0, 395.462, 4
lo: mol2, SDF, SMILES, flexibase
3.33,11.62,-43.16,1,5,1, 396.47, 4
77980203
 
#39

Wisdom Chemicals: 3X0823-2XX-44XX
ref: mol2, SDF, SMILES, flexibase
2.11,8.44,-17.24,0,5,0, 337.354, 3
lo: mol2, SDF, SMILES, flexibase
2.11,8.9,-46.69,1,5,1, 338.362, 3
77980199
 
#40

Wisdom Chemicals: 3X0823-2XX-43XX
ref: mol2, SDF, SMILES, flexibase
1.94,8.37,-15.55,0,5,0, 319.364, 3
lo: mol2, SDF, SMILES, flexibase
1.94,8.83,-44.61,1,5,1, 320.372, 3
77980195
 
#41

Wisdom Chemicals: 3X0823-2XX-29XX
ref: mol2, SDF, SMILES, flexibase
2.13,7.06,-11.57,0,5,0, 325.393, 2
lo: mol2, SDF, SMILES, flexibase
2.13,7.51,-49.84,1,5,1, 326.401, 2
77980191
 
#42

Wisdom Chemicals: 3X0823-2XX-08XX
ref: mol2, SDF, SMILES, flexibase
0.68,6.57,-13.16,0,6,0, 306.325, 2
lo: mol2, SDF, SMILES, flexibase
0.68,7.03,-52.25,1,6,1, 307.333, 2
77980187
 
#43

Wisdom Chemicals: 3X0823-2XX-04XX
ref: mol2, SDF, SMILES, flexibase
1.53,7.31,-15.67,0,5,0, 325.393, 3
lo: mol2, SDF, SMILES, flexibase
1.53,7.77,-44.76,1,5,1, 326.401, 3
77980183
 
#44

Wisdom Chemicals: 3X0823-2X6-1002
ref: mol2, SDF, SMILES, flexibase
2.40,8.17,-15.64,0,6,0, 388.452, 3
lo: mol2, SDF, SMILES, flexibase
2.40,8.63,-54.95,1,6,1, 389.46, 3
77980179
 
#45

Wisdom Chemicals: 3X0823-2X6-1001
ref: mol2, SDF, SMILES, flexibase
3.47,9.97,-13.53,0,5,0, 387.464, 3
lo: mol2, SDF, SMILES, flexibase
3.47,10.43,-52.19,1,5,1, 388.472, 3
77980174
 
#46

Wisdom Chemicals: 3X0823-2X6-0802
ref: mol2, SDF, SMILES, flexibase
1.96,7.56,-13.57,0,7,0, 372.384, 3
lo: mol2, SDF, SMILES, flexibase
1.96,8.02,-44.96,1,7,1, 373.392, 3
77980171
 
#47

Wisdom Chemicals: 3X0823-2X6-0604
ref: mol2, SDF, SMILES, flexibase
3.28,10.51,-14.3,0,5,0, 401.491, 4
lo: mol2, SDF, SMILES, flexibase
3.28,10.96,-43.82,1,5,1, 402.499, 4
77980167
 
#48

Wisdom Chemicals: 3X0823-2X4-0502
ref: mol2, SDF, SMILES, flexibase
2.82,10.24,-15.53,0,6,0, 389.455, 6
lo: mol2, SDF, SMILES, flexibase
2.82,10.7,-44.23,1,6,1, 390.463, 6
77980164
 
#49

Wisdom Chemicals: 3X0823-2X4-0401
ref: mol2, SDF, SMILES, flexibase
2.74,9.22,-17.08,0,6,0, 377.444, 5
lo: mol2, SDF, SMILES, flexibase
2.74,9.68,-46.23,1,6,1, 378.452, 5
77980160
 
#50

Wisdom Chemicals: 3X0823-2X2-2018
ref: mol2, SDF, SMILES, flexibase
2.24,8.74,-22.41,1,7,0, 404.47, 5
lo: mol2, SDF, SMILES, flexibase
2.24,9.2,-50.2,2,7,1, 405.478, 5
77980157
 
#51

Wisdom Chemicals: 3X0823-2X2-0631
ref: mol2, SDF, SMILES, flexibase
2.07,8.34,-13.1,1,7,0, 404.47, 5
lo: mol2, SDF, SMILES, flexibase
2.07,8.8,-45.32,2,7,1, 405.478, 5
77980154
 
#52

Wisdom Chemicals: 3X0823-2X2-0622
ref: mol2, SDF, SMILES, flexibase
2.64,8.03,-11.47,1,7,0, 410.518, 5
lo: mol2, SDF, SMILES, flexibase
2.64,9.04,-43.96,2,7,1, 411.526, 5
77980151
 
#53

Wisdom Chemicals: 3X0823-2X2-0620
ref: mol2, SDF, SMILES, flexibase
1.22,6.79,-12.31,1,7,0, 368.437, 5
lo: mol2, SDF, SMILES, flexibase
1.22,7.24,-44.34,2,7,1, 369.445, 5
77980146
 
#54

Wisdom Chemicals: 3X0823-2X2-0543
ref: mol2, SDF, SMILES, flexibase
1.68,10.6,-23.39,0,7,0, 416.481, 4
lo: mol2, SDF, SMILES, flexibase
1.68,11.05,-49.64,1,7,1, 417.489, 4
77980143
 
#55

Wisdom Chemicals: 3X0823-2X2-0531
ref: mol2, SDF, SMILES, flexibase
1.12,9.65,-25.58,0,7,0, 402.454, 3
lo: mol2, SDF, SMILES, flexibase
1.12,10.11,-50.67,1,7,1, 403.462, 3
77980140
 
#56

Wisdom Chemicals: 3X0823-2X2-0526
ref: mol2, SDF, SMILES, flexibase
2.62,10.74,-21.6,0,7,0, 422.529, 4
lo: mol2, SDF, SMILES, flexibase
2.62,11.19,-47.63,1,7,1, 423.537, 4
77980137
 
#57

Wisdom Chemicals: 3X0823-2X2-0522
ref: mol2, SDF, SMILES, flexibase
2.17,9.78,-22.58,0,7,0, 408.502, 3
lo: mol2, SDF, SMILES, flexibase
2.17,10.23,-48.44,1,7,1, 409.51, 3
77980134
 
#58

Wisdom Chemicals: 3X0823-2X2-0504
ref: mol2, SDF, SMILES, flexibase
1.27,9.43,-23.26,0,7,0, 422.51, 4
lo: mol2, SDF, SMILES, flexibase
1.27,9.88,-49.73,1,7,1, 423.518, 4
77980127
 
#59

Wisdom Chemicals: 3X0823-2X2-0503
ref: mol2, SDF, SMILES, flexibase
0.71,7.67,-23.89,0,7,0, 408.483, 3
lo: mol2, SDF, SMILES, flexibase
0.71,8.13,-50.28,1,7,1, 409.491, 3
77980120
 
#60

Wisdom Chemicals: 3X0823-2X2-0143
ref: mol2, SDF, SMILES, flexibase
1.05,6.81,-16,1,7,0, 376.416, 5
lo: mol2, SDF, SMILES, flexibase
1.05,7.27,-47.85,2,7,1, 377.424, 5
77980117
 
#61

Wisdom Chemicals: 3X0823-2X2-0131
ref: mol2, SDF, SMILES, flexibase
0.96,6.13,-15.29,1,7,0, 362.389, 4
lo: mol2, SDF, SMILES, flexibase
0.96,6.59,-47,2,7,1, 363.397, 4
77980109
 
#62

Wisdom Chemicals: 3X0823-2X1-01B4
ref: mol2, SDF, SMILES, flexibase
1.42,9.85,-14.82,0,7,0, 416.481, 4
lo: mol2, SDF, SMILES, flexibase
1.42,10.31,-46.23,1,7,1, 417.489, 4
77980105
 
#63

Wisdom Chemicals: 3X0823-2X1-0126
ref: mol2, SDF, SMILES, flexibase
1.05,9.38,-14.61,0,7,0, 402.454, 4
lo: mol2, SDF, SMILES, flexibase
1.05,9.84,-45.62,1,7,1, 403.462, 4
77980101
 
#64

Wisdom Chemicals: 3X0795-2XX-A0XX
ref: mol2, SDF, SMILES, flexibase
1.93,6.49,-18.81,0,6,0, 367.718, 2
77980099
 
#65

Wisdom Chemicals: 3X0795-2XX-99XX
ref: mol2, SDF, SMILES, flexibase
2.32,6.92,-19.96,0,7,0, 363.421, 3
77980096
 
#66

Wisdom Chemicals: 3X0795-2XX-98XX
ref: mol2, SDF, SMILES, flexibase
2.64,9.95,-21.03,0,6,0, 369.428, 4
77980091
 
#67

Wisdom Chemicals: 3X0795-2XX-93XX
ref: mol2, SDF, SMILES, flexibase
2.15,7.7,-22.76,0,7,0, 357.373, 3
77980089
 
#68

Wisdom Chemicals: 3X0795-2XX-86XX
ref: mol2, SDF, SMILES, flexibase
2.26,7.62,-18.62,0,6,0, 333.395, 2
77980087
 
#69

Wisdom Chemicals: 3X0795-2XX-81XX
ref: mol2, SDF, SMILES, flexibase
1.58,7.23,-21.27,0,6,0, 315.336, 1
77980082
 
#70

Wisdom Chemicals: 3X0795-2XX-78XX
ref: mol2, SDF, SMILES, flexibase
2.37,9.01,-20.19,0,6,0, 355.401, 3
77980080
 
#71

Wisdom Chemicals: 3X0795-2XX-48XX
ref: mol2, SDF, SMILES, flexibase
0.87,5.98,-23.59,0,7,0, 295.302, 3
77980079
 
#72

Wisdom Chemicals: 3X0795-2XX-29XX
ref: mol2, SDF, SMILES, flexibase
1.17,4.72,-18.3,0,6,0, 285.332, 1
77980076
 
#73

Wisdom Chemicals: 3X0795-2XX-16XX
ref: mol2, SDF, SMILES, flexibase
1.03,6.05,-23.92,0,7,0, 313.292, 3
77980072
 
#74

Wisdom Chemicals: 3X0795-2XX-13XX
ref: mol2, SDF, SMILES, flexibase
1.62,6.47,-20.96,0,6,0, 313.748, 2
77980069
 
#75

Wisdom Chemicals: 3X0795-2XX-12XX
ref: mol2, SDF, SMILES, flexibase
1.64,6.56,-21.69,0,6,0, 313.748, 2
77980066
 
#76

Wisdom Chemicals: 3X0795-2XX-11XX
ref: mol2, SDF, SMILES, flexibase
1.10,6.08,-22.22,0,6,0, 297.293, 2
77980063
 
#77

Wisdom Chemicals: 3X0795-2XX-10XX
ref: mol2, SDF, SMILES, flexibase
1.13,6.12,-22.52,0,6,0, 297.293, 2
77980059
 
#78

Wisdom Chemicals: 3X0795-2XX-04XX
ref: mol2, SDF, SMILES, flexibase
0.58,4.97,-21.36,0,6,0, 285.332, 2
77980055
 
#79

Wisdom Chemicals: 3X0795-2X6-1002
ref: mol2, SDF, SMILES, flexibase
1.45,5.81,-22.46,0,7,0, 348.391, 2
lo: mol2, SDF, SMILES, flexibase
1.45,6.27,-41.29,1,7,1, 349.399, 2
77980052
 
#80

Wisdom Chemicals: 3X0795-2X6-0604
ref: mol2, SDF, SMILES, flexibase
2.32,8.18,-20.48,0,6,0, 361.43, 3
77980049
 
#81

Wisdom Chemicals: 3X0795-2X6-0602
ref: mol2, SDF, SMILES, flexibase
1.66,7.68,-24.48,0,7,0, 356.389, 3
lo: mol2, SDF, SMILES, flexibase
1.66,8.13,-49.29,1,7,1, 357.397, 3
77980044
 
#82

Wisdom Chemicals: 3X0795-2X6-0601
ref: mol2, SDF, SMILES, flexibase
2.73,9.42,-21.97,0,6,0, 355.401, 3
77980039
 
#83

Wisdom Chemicals: 3X0795-2X6-0402
ref: mol2, SDF, SMILES, flexibase
1.71,7.7,-24.51,0,7,0, 356.389, 3
lo: mol2, SDF, SMILES, flexibase
1.71,8.16,-51.27,1,7,1, 357.397, 3
77980036
 
#84

Wisdom Chemicals: 3X0795-2X6-0303
ref: mol2, SDF, SMILES, flexibase
1.96,7.66,-21.91,0,6,0, 347.403, 2
77980031
 
#85

Wisdom Chemicals: 3X0795-2X6-0301
ref: mol2, SDF, SMILES, flexibase
2.17,8.46,-20.97,0,6,0, 341.374, 2
77980028
 
#86

Wisdom Chemicals: 3X0795-2X4-1301
ref: mol2, SDF, SMILES, flexibase
0.86,6.11,-22.98,0,8,0, 324.344, 3
77980023
 
#87

Wisdom Chemicals: 3X0795-2X4-1203
ref: mol2, SDF, SMILES, flexibase
0.79,5.31,-18.65,0,8,0, 350.382, 3
77980017
 
#88

Wisdom Chemicals: 3X0795-2X4-1201
ref: mol2, SDF, SMILES, flexibase
0.13,3.99,-18.34,0,8,0, 324.344, 3
77980013
 
#89

Wisdom Chemicals: 3X0795-2X4-1104
ref: mol2, SDF, SMILES, flexibase
1.49,5.36,-19.55,0,8,0, 364.409, 3
77980007
 
#90

Wisdom Chemicals: 3X0795-2X4-0504
ref: mol2, SDF, SMILES, flexibase
2.90,8.87,-21.69,0,7,0, 377.448, 4
77980002
 
#91

Wisdom Chemicals: 3X0795-2X4-0502
ref: mol2, SDF, SMILES, flexibase
1.87,7.91,-21.86,0,7,0, 349.394, 5
77979997
 
#92

Wisdom Chemicals: 3X0795-2X4-0206
ref: mol2, SDF, SMILES, flexibase
2.75,8.49,-21.41,0,7,0, 377.448, 4
77979993
 
#93

Wisdom Chemicals: 3X0795-2X4-0203
ref: mol2, SDF, SMILES, flexibase
1.86,7.07,-21.64,0,7,0, 349.394, 3
77979990
 
#94

Wisdom Chemicals: 3X0795-2X4-0201
ref: mol2, SDF, SMILES, flexibase
1.20,5.77,-21.81,0,7,0, 323.356, 3
77979986
 
#95

Wisdom Chemicals: 3X0795-2X4-0107
ref: mol2, SDF, SMILES, flexibase
1.98,7.25,-21,0,7,0, 377.429, 4
77979982
 
#96

Wisdom Chemicals: 3X0795-2X4-0104
ref: mol2, SDF, SMILES, flexibase
2.39,7.65,-19.42,0,7,0, 363.421, 3
77979978
 
#97

Wisdom Chemicals: 3X0795-2X4-0102
ref: mol2, SDF, SMILES, flexibase
1.35,6.69,-19.48,0,7,0, 335.367, 4
77979975
 
#98

Wisdom Chemicals: 3X0795-2X2-2023
ref: mol2, SDF, SMILES, flexibase
1.82,7.13,-27.88,1,8,0, 378.436, 5
77979974
 
#99

Wisdom Chemicals: 3X0795-2X2-2018
ref: mol2, SDF, SMILES, flexibase
1.29,6.42,-28.33,1,8,0, 364.409, 4
77979968
 
#100

Wisdom Chemicals: 3X0795-2X2-0718
ref: mol2, SDF, SMILES, flexibase
0.72,5.24,-26.08,1,8,0, 350.382, 3

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 = 662 ) limit 0,100

Smiles were