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

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33894621
 
#1

Leadscope via PubChem: LS-134587
ref: mol2, SDF, SMILES, flexibase
2.08,11.17,-128.96,1,8,-2, 443.868, 5
33856525
 
#2

Leadscope via PubChem: LS-134589
ref: mol2, SDF, SMILES, flexibase
0.82,2.42,-41.43,0,7,-1, 293.299, 8
mid: mol2, SDF, SMILES, flexibase
1.52,4.96,-8.34,1,7,0, 294.307, 8
95890492
 
#3

Leadscope via PubChem: LS-134586
ref: mol2, SDF, SMILES, flexibase
3.53,12.47,-52.11,2,9,-1, 550.016, 9
33894623
 
#4

Leadscope via PubChem: LS-134587
ref: mol2, SDF, SMILES, flexibase
2.08,10.99,-134.62,1,8,-2, 443.868, 5
33754684
 
#5

Leadscope via PubChem: LS-134554
ref: mol2, SDF, SMILES, flexibase
2.32,6.41,-23.76,2,9,0, 402.451, 7
hi: mol2, SDF, SMILES, flexibase
2.32,7.62,-63.57,1,9,-1, 401.443, 7
lo: mol2, SDF, SMILES, flexibase
2.32,6.53,-44.22,3,9,1, 403.459, 7
33827012
 
#6

Leadscope via PubChem: LS-134555
ref: mol2, SDF, SMILES, flexibase
3.91,9.64,-32.23,3,8,0, 485.466, 7
hi: mol2, SDF, SMILES, flexibase
3.91,10.85,-69.86,2,8,-1, 484.458, 7
33754686
 
#7

Leadscope via PubChem: LS-134556
ref: mol2, SDF, SMILES, flexibase
3.05,7.4,-21.99,2,6,0, 366.343, 5
hi: mol2, SDF, SMILES, flexibase
3.05,8.62,-65.75,1,6,-1, 365.335, 5
lo: mol2, SDF, SMILES, flexibase
3.05,7.5,-41.99,3,6,1, 367.351, 5
33754682
 
#8

Leadscope via PubChem: LS-134557
ref: mol2, SDF, SMILES, flexibase
1.81,5.54,-24.34,2,9,0, 388.424, 7
hi: mol2, SDF, SMILES, flexibase
1.81,6.75,-64.05,1,9,-1, 387.416, 7
lo: mol2, SDF, SMILES, flexibase
1.81,5.66,-43.75,3,9,1, 389.432, 7
3624236
 
#9

Leadscope via PubChem: LS-134559
SureChEMBL: SCHEMBL11630341
ref: mol2, SDF, SMILES, flexibase
0.38,6,-10.87,2,3,0, 229.308, 3
3624234
 
#10

Leadscope via PubChem: LS-134559
SureChEMBL: SCHEMBL11630341
ref: mol2, SDF, SMILES, flexibase
0.38,6,-10.81,2,3,0, 229.308, 3
33865744
 
#11

Leadscope via PubChem: LS-134560
ref: mol2, SDF, SMILES, flexibase
1.07,5.42,-16.21,2,8,0, 380.404, 5
33865743
 
#12

Leadscope via PubChem: LS-134560
ref: mol2, SDF, SMILES, flexibase
1.07,5.43,-17.75,2,8,0, 380.404, 5
33827022
 
#13

Leadscope via PubChem: LS-134551
ref: mol2, SDF, SMILES, flexibase
3.17,8.61,-31.36,3,11,0, 521.574, 9
hi: mol2, SDF, SMILES, flexibase
3.17,9.83,-69.93,2,11,-1, 520.566, 9
33754696
 
#14

Leadscope via PubChem: LS-134552
ref: mol2, SDF, SMILES, flexibase
3.56,8.27,-21.48,2,6,0, 380.37, 5
hi: mol2, SDF, SMILES, flexibase
3.56,9.48,-65.3,1,6,-1, 379.362, 5
lo: mol2, SDF, SMILES, flexibase
3.56,8.37,-42.29,3,6,1, 381.378, 5
33754683
 
#15

Leadscope via PubChem: LS-134549
ref: mol2, SDF, SMILES, flexibase
1.26,3.99,-24.73,2,10,0, 404.423, 7
hi: mol2, SDF, SMILES, flexibase
1.26,5.2,-63.43,1,10,-1, 403.415, 7
lo: mol2, SDF, SMILES, flexibase
1.26,4.11,-47.04,3,10,1, 405.431, 7
33827014
 
#16

Leadscope via PubChem: LS-134550
ref: mol2, SDF, SMILES, flexibase
4.42,10.49,-29.5,3,8,0, 499.493, 7
hi: mol2, SDF, SMILES, flexibase
4.42,11.7,-67.52,2,8,-1, 498.485, 7
33754687
 
#17

Leadscope via PubChem: LS-134548
ref: mol2, SDF, SMILES, flexibase
2.50,5.85,-22.38,2,7,0, 382.342, 5
hi: mol2, SDF, SMILES, flexibase
2.50,7.07,-65.11,1,7,-1, 381.334, 5
lo: mol2, SDF, SMILES, flexibase
2.50,5.95,-44.97,3,7,1, 383.35, 5
33827020
 
#18

Leadscope via PubChem: LS-134547
ref: mol2, SDF, SMILES, flexibase
2.11,6.18,-31.78,3,12,0, 523.546, 9
hi: mol2, SDF, SMILES, flexibase
2.11,7.39,-70.07,2,12,-1, 522.538, 9
33827093
 
#19

Leadscope via PubChem: LS-134546
ref: mol2, SDF, SMILES, flexibase
3.35,8.04,-29.41,3,9,0, 501.465, 7
hi: mol2, SDF, SMILES, flexibase
3.35,9.26,-67.25,2,9,-1, 500.457, 7
33754685
 
#20

Leadscope via PubChem: LS-134545
ref: mol2, SDF, SMILES, flexibase
2.82,7.32,-23.57,2,9,0, 416.478, 7
hi: mol2, SDF, SMILES, flexibase
2.82,8.53,-63.45,1,9,-1, 415.47, 7
lo: mol2, SDF, SMILES, flexibase
2.82,7.44,-44.35,3,9,1, 417.486, 7
33754695
 
#21

Leadscope via PubChem: LS-134544
ref: mol2, SDF, SMILES, flexibase
4.06,9.18,-21.21,2,6,0, 394.397, 5
hi: mol2, SDF, SMILES, flexibase
4.06,10.4,-64.97,1,6,-1, 393.389, 5
lo: mol2, SDF, SMILES, flexibase
4.06,9.28,-42.36,3,6,1, 395.405, 5
33754697
 
#22

Chembo Pharma: KB-221796
Leadscope via PubChem: LS-134543
ref: mol2, SDF, SMILES, flexibase
2.32,6.48,-21.73,2,6,0, 316.336, 4
hi: mol2, SDF, SMILES, flexibase
2.32,7.69,-61.5,1,6,-1, 315.328, 4
33754698
 
#23

Chembo Pharma: KB-221795
Leadscope via PubChem: LS-134542
ref: mol2, SDF, SMILES, flexibase
1.76,4.93,-21.55,2,7,0, 332.335, 4
hi: mol2, SDF, SMILES, flexibase
1.76,6.14,-60.43,1,7,-1, 331.327, 4
lo: mol2, SDF, SMILES, flexibase
1.76,5.03,-40.42,3,7,1, 333.343, 4
33901910
 
#24

Leadscope via PubChem: LS-134081
ref: mol2, SDF, SMILES, flexibase
2.29,9.25,-14.48,0,6,0, 319.386, 6
33857769
 
#25

Leadscope via PubChem: LS-134083
ref: mol2, SDF, SMILES, flexibase
2.32,13.79,-64.34,0,9,-1, 434.476, 7
mid: mol2, SDF, SMILES, flexibase
2.32,16.01,-99.56,1,9,0, 435.484, 7
33901909
 
#26

Leadscope via PubChem: LS-134087
ref: mol2, SDF, SMILES, flexibase
3.56,12.58,-16.49,0,6,0, 381.457, 7
33901856
 
#27

Leadscope via PubChem: LS-134088
ref: mol2, SDF, SMILES, flexibase
3.56,10.81,-10.96,0,6,0, 381.457, 7
95890586
 
#28

Leadscope via PubChem: LS-134089
ref: mol2, SDF, SMILES, flexibase
1.99,10.65,-14.51,1,6,0, 341.392, 4
mid: mol2, SDF, SMILES, flexibase
2.45,8.86,-58.45,0,6,-1, 340.384, 4
3608926
 
#29

Leadscope via PubChem: LS-134090
ref: mol2, SDF, SMILES, flexibase
0.48,7.06,-11.43,0,6,0, 280.324, 3
3608929
 
#30

Leadscope via PubChem: LS-134090
ref: mol2, SDF, SMILES, flexibase
0.48,7.13,-12.41,0,6,0, 280.324, 3
3608927
 
#31

Leadscope via PubChem: LS-134090
ref: mol2, SDF, SMILES, flexibase
0.48,7.15,-12.35,0,6,0, 280.324, 3
3608930
 
#32

Leadscope via PubChem: LS-134090
ref: mol2, SDF, SMILES, flexibase
0.48,7.03,-11.44,0,6,0, 280.324, 3
5574518
 
#33

Leadscope via PubChem: LS-134092
ref: mol2, SDF, SMILES, flexibase
1.12,7.27,-17.15,0,5,0, 252.314, 3
5574510
 
#34

Leadscope via PubChem: LS-134092
ref: mol2, SDF, SMILES, flexibase
1.12,7.17,-15.76,0,5,0, 252.314, 3
5851527
 
#35

Leadscope via PubChem: LS-134093
ref: mol2, SDF, SMILES, flexibase
1.50,7.99,-15.14,0,5,0, 266.341, 4
2574370
 
#36

Leadscope via PubChem: LS-134093
ref: mol2, SDF, SMILES, flexibase
1.50,8.24,-16.35,0,5,0, 266.341, 4
90470858
 
#37

Leadscope via PubChem: LS-134099
ref: mol2, SDF, SMILES, flexibase
0.67,4.05,-45.34,0,5,-1, 253.322, 2
mid: mol2, SDF, SMILES, flexibase
1.38,5.27,-7.77,0,5,0, 254.33, 3
lo: mol2, SDF, SMILES, flexibase
0.67,6.21,-39.96,1,5,0, 254.33, 2
lo: mol2, SDF, SMILES, flexibase
1.38,6.95,-39.81,1,5,1, 255.338, 3
39647468
 
#38

Leadscope via PubChem: LS-134100
SureChEMBL: SCHEMBL11241502
ref: mol2, SDF, SMILES, flexibase
4.43,12.08,-48.62,0,5,-1, 333.367, 5
mid: mol2, SDF, SMILES, flexibase
4.43,12.42,-50.62,1,5,0, 334.375, 5
95890585
 
#39

Leadscope via PubChem: LS-134102
ref: mol2, SDF, SMILES, flexibase
4.53,18.85,-58.51,1,9,1, 577.105, 10
mid: mol2, SDF, SMILES, flexibase
4.53,16.64,-18.4,0,9,0, 576.097, 10
95890584
 
#40

Leadscope via PubChem: LS-134103
ref: mol2, SDF, SMILES, flexibase
4.23,18.67,-50.36,1,9,1, 563.078, 9
mid: mol2, SDF, SMILES, flexibase
4.23,16.45,-16.97,0,9,0, 562.07, 9
33898635
 
#41

Leadscope via PubChem: LS-134104
ref: mol2, SDF, SMILES, flexibase
2.50,14.22,-45.78,1,8,1, 425.509, 9
hi: mol2, SDF, SMILES, flexibase
2.50,12.07,-15.74,0,8,0, 424.501, 9
33898633
 
#42

Leadscope via PubChem: LS-134105
ref: mol2, SDF, SMILES, flexibase
3.31,14.66,-16.75,0,7,0, 415.449, 6
33893820
 
#43

Leadscope via PubChem: LS-134107
ref: mol2, SDF, SMILES, flexibase
3.60,17.56,-55.76,1,9,1, 528.633, 9
mid: mol2, SDF, SMILES, flexibase
3.60,15.35,-17.88,0,9,0, 527.625, 9
33898631
 
#44

Leadscope via PubChem: LS-134108
ref: mol2, SDF, SMILES, flexibase
2.36,12.12,-15.57,0,7,0, 365.389, 6
95890583
 
#45

Leadscope via PubChem: LS-134113
ref: mol2, SDF, SMILES, flexibase
-0.17,3.93,-15.65,2,7,0, 239.231, 3
95890582
 
#46

Leadscope via PubChem: LS-134113
ref: mol2, SDF, SMILES, flexibase
-0.17,3.93,-15.64,2,7,0, 239.231, 3
32220416
 
#47

Leadscope via PubChem: LS-134118
ref: mol2, SDF, SMILES, flexibase
3.24,4.44,-47.26,5,6,1, 355.23, 2
hi: mol2, SDF, SMILES, flexibase
1.98,4.42,-29.16,4,6,0, 354.222, 2
hi: mol2, SDF, SMILES, flexibase
1.98,4.42,-27.74,4,6,0, 354.222, 2
hi: mol2, SDF, SMILES, flexibase
3.24,3.95,-24.09,4,6,0, 354.222, 2

Similar to: 5889207,
32220417
 
#48

Leadscope via PubChem: LS-134118
ref: mol2, SDF, SMILES, flexibase
3.24,4.43,-36.13,5,6,1, 355.23, 2
hi: mol2, SDF, SMILES, flexibase
1.98,4.42,-15.39,4,6,0, 354.222, 2
hi: mol2, SDF, SMILES, flexibase
1.98,4.42,-14,4,6,0, 354.222, 2
hi: mol2, SDF, SMILES, flexibase
3.24,3.94,-13.54,4,6,0, 354.222, 2

Similar to: 5889207,
39630479
 
#49

Leadscope via PubChem: LS-134121
ref: mol2, SDF, SMILES, flexibase
2.12,3.53,-45.02,5,6,1, 304.33, 2
hi: mol2, SDF, SMILES, flexibase
0.86,3.51,-27.16,4,6,0, 303.322, 2
hi: mol2, SDF, SMILES, flexibase
0.86,3.51,-25.71,4,6,0, 303.322, 2
hi: mol2, SDF, SMILES, flexibase
2.12,3.04,-22.5,4,6,0, 303.322, 2
39630476
 
#50

Leadscope via PubChem: LS-134121
ref: mol2, SDF, SMILES, flexibase
2.12,3.53,-37.75,5,6,1, 304.33, 2
hi: mol2, SDF, SMILES, flexibase
0.86,3.52,-17.13,4,6,0, 303.322, 2
hi: mol2, SDF, SMILES, flexibase
0.86,3.52,-15.79,4,6,0, 303.322, 2
hi: mol2, SDF, SMILES, flexibase
2.12,3.04,-15.78,4,6,0, 303.322, 2
53277364
 
#51

Leadscope via PubChem: LS-134124
ref: mol2, SDF, SMILES, flexibase
2.05,5.69,-16.79,4,6,0, 281.319, 3
mid: mol2, SDF, SMILES, flexibase
2.05,6.2,-32.11,5,6,1, 282.327, 3
13209343
 
#52

BOC Sciences BB (Depleted): 13502-59-5
Leadscope via PubChem: LS-134128
ref: mol2, SDF, SMILES, flexibase
1.33,4.66,-26.4,5,5,1, 204.257, 2
mid: mol2, SDF, SMILES, flexibase
1.33,4.15,-12.55,4,5,0, 203.249, 2
5355433
 
#53

Leadscope via PubChem: LS-134131
SureChEMBL: SCHEMBL9431457
ref: mol2, SDF, SMILES, flexibase
4.33,9.36,-10.33,0,4,0, 307.397, 5
95890581
 
#54

Leadscope via PubChem: LS-134132
SureChEMBL: SCHEMBL6644063
ref: mol2, SDF, SMILES, flexibase
0.03,4.28,-7.96,2,6,0, 234.259, 2
mid: mol2, SDF, SMILES, flexibase
-3.71,4.51,-37.41,3,6,1, 235.267, 2
95890580
 
#55

Leadscope via PubChem: LS-134136
SureChEMBL: SCHEMBL9534299
ref: mol2, SDF, SMILES, flexibase
-0.33,2.98,-9.69,0,5,0, 191.19, 0
95890579
 
#56

Leadscope via PubChem: LS-134137
SureChEMBL: SCHEMBL9039797
ref: mol2, SDF, SMILES, flexibase
-0.67,1.17,-8.27,2,7,0, 222.204, 1
lo: mol2, SDF, SMILES, flexibase
-4.34,1.57,-37.35,3,7,1, 223.212, 1
13969147
 
#57

Leadscope via PubChem: LS-134138
SureChEMBL: SCHEMBL9039454
ref: mol2, SDF, SMILES, flexibase
-0.35,3.3,-8.3,1,6,0, 220.232, 1
mid: mol2, SDF, SMILES, flexibase
-0.35,3.68,-38.91,2,6,1, 221.24, 1
13969160
 
#58

Leadscope via PubChem: LS-134140
SureChEMBL: SCHEMBL9037923
ref: mol2, SDF, SMILES, flexibase
0.99,4.82,-7.89,1,6,0, 248.286, 2
lo: mol2, SDF, SMILES, flexibase
0.99,5.19,-39.05,2,6,1, 249.294, 2
95890578
 
#59

Leadscope via PubChem: LS-134141
SureChEMBL: SCHEMBL9534796
ref: mol2, SDF, SMILES, flexibase
0.32,4.89,-9.39,1,6,0, 248.286, 2
13969170
 
#60

Leadscope via PubChem: LS-134142
SureChEMBL: SCHEMBL9039344
ref: mol2, SDF, SMILES, flexibase
0.30,4.6,-8.01,1,6,0, 246.27, 3
95890577
 
#61

Leadscope via PubChem: LS-134147
ref: mol2, SDF, SMILES, flexibase
2.21,6.95,-9.66,0,5,0, 316.43, 2
95890576
 
#62

Leadscope via PubChem: LS-134147
ref: mol2, SDF, SMILES, flexibase
2.21,6.95,-9.65,0,5,0, 316.43, 2
95890575
 
#63

Leadscope via PubChem: LS-134148
SureChEMBL: SCHEMBL9517428, SCHEMBL10377927
ref: mol2, SDF, SMILES, flexibase
3.20,11.33,-62.63,1,8,-1, 423.445, 9
mid: mol2, SDF, SMILES, flexibase
3.20,11.72,-79.11,2,8,0, 424.453, 9
hi: mol2, SDF, SMILES, flexibase
3.20,12.31,-109.14,0,8,-2, 422.437, 9
lo: mol2, SDF, SMILES, flexibase
3.20,9.85,-59.33,3,8,1, 425.461, 9
33892976
 
#64

Leadscope via PubChem: LS-134149
ref: mol2, SDF, SMILES, flexibase
-0.83,7.38,-51.17,0,11,-1, 334.268, 2
33882489
 
#65

Leadscope via PubChem: LS-134161
SureChEMBL: SCHEMBL9686141
ref: mol2, SDF, SMILES, flexibase
2.46,11.66,-19.63,2,11,0, 462.514, 5
mid: mol2, SDF, SMILES, flexibase
2.46,11.96,-38.86,3,11,1, 463.522, 5
33882491
 
#66

Leadscope via PubChem: LS-134162
ref: mol2, SDF, SMILES, flexibase
2.09,10.71,-19.81,2,11,0, 448.487, 4
mid: mol2, SDF, SMILES, flexibase
2.09,11.02,-39.01,3,11,1, 449.495, 4
33865395
 
#67

Leadscope via PubChem: LS-134163
SureChEMBL: SCHEMBL11360548
ref: mol2, SDF, SMILES, flexibase
2.90,8.85,-34.41,1,3,1, 231.319, 3
mid: mol2, SDF, SMILES, flexibase
2.90,8.45,-11.53,0,3,0, 230.311, 3
33865398
 
#68

Leadscope via PubChem: LS-134164
SureChEMBL: SCHEMBL6216602, SCHEMBL11369794
ref: mol2, SDF, SMILES, flexibase
3.06,8.24,-35.84,1,3,1, 217.292, 3
mid: mol2, SDF, SMILES, flexibase
3.06,7.84,-12.41,0,3,0, 216.284, 3
33865436
 
#69

Leadscope via PubChem: LS-134166
SureChEMBL: SCHEMBL11360651, SCHEMBL11357352
ref: mol2, SDF, SMILES, flexibase
2.75,6.78,-9.73,0,3,0, 222.675, 1
mid: mol2, SDF, SMILES, flexibase
2.75,7.19,-36.63,1,3,1, 223.683, 1
33984287
 
#70

Leadscope via PubChem: LS-134168
ref: mol2, SDF, SMILES, flexibase
3.25,7.4,-12.27,1,4,0, 283.718, 2
hi: mol2, SDF, SMILES, flexibase
3.70,5.54,-46.55,0,4,-1, 282.71, 2
95890574
 
#71

Leadscope via PubChem: LS-134170
ref: mol2, SDF, SMILES, flexibase
0.94,7.86,-47.41,1,5,1, 247.322, 5
hi: mol2, SDF, SMILES, flexibase
0.94,5.75,-11.93,0,5,0, 246.314, 5
33878699
 
#72

Leadscope via PubChem: LS-134171
ref: mol2, SDF, SMILES, flexibase
1.02,7.69,-48.21,1,5,1, 261.349, 5
hi: mol2, SDF, SMILES, flexibase
1.02,5.56,-11.6,0,5,0, 260.341, 5
3608332
 
#73

Leadscope via PubChem: LS-134172
ref: mol2, SDF, SMILES, flexibase
1.51,7.76,-20.84,0,8,0, 329.36, 5
33882493
 
#74

Leadscope via PubChem: LS-134173
ref: mol2, SDF, SMILES, flexibase
2.48,12.5,-17.12,2,11,0, 464.53, 5
mid: mol2, SDF, SMILES, flexibase
2.48,12.79,-36.85,3,11,1, 465.538, 5
33882492
 
#75

Leadscope via PubChem: LS-134174
ref: mol2, SDF, SMILES, flexibase
1.85,11.19,-18.51,2,11,0, 464.53, 5
mid: mol2, SDF, SMILES, flexibase
1.85,11.47,-38.89,3,11,1, 465.538, 5
33865396
 
#76

Leadscope via PubChem: LS-134178
SureChEMBL: SCHEMBL11368128, SCHEMBL11353116
ref: mol2, SDF, SMILES, flexibase
2.06,7.27,-32.74,1,3,1, 203.265, 1
mid: mol2, SDF, SMILES, flexibase
2.06,6.87,-11.48,0,3,0, 202.257, 1
33865435
 
#77

Leadscope via PubChem: LS-134179
SureChEMBL: SCHEMBL11369573, SCHEMBL11363269
ref: mol2, SDF, SMILES, flexibase
2.34,8.07,-34.34,1,3,1, 217.292, 2
mid: mol2, SDF, SMILES, flexibase
2.34,7.67,-11.62,0,3,0, 216.284, 2
33865399
 
#78

Leadscope via PubChem: LS-134181
SureChEMBL: SCHEMBL11360549, SCHEMBL11359916
ref: mol2, SDF, SMILES, flexibase
2.74,7.95,-31.55,1,3,1, 217.292, 1
mid: mol2, SDF, SMILES, flexibase
2.74,7.55,-10.63,0,3,0, 216.284, 1
38811435
 
#79

Leadscope via PubChem: LS-134182
ref: mol2, SDF, SMILES, flexibase
2.17,9.04,-20.24,0,8,0, 355.398, 3

Similar to: 42652300, 42652301, 42652302,
33878692
 
#80

Leadscope via PubChem: LS-134183
ref: mol2, SDF, SMILES, flexibase
-0.53,1.61,-15.93,1,7,0, 304.35, 4
mid: mol2, SDF, SMILES, flexibase
-0.53,3.9,-53.75,2,7,1, 305.358, 4
33878691
 
#81

Leadscope via PubChem: LS-134183
ref: mol2, SDF, SMILES, flexibase
-0.53,1.22,-16.05,1,7,0, 304.35, 4
mid: mol2, SDF, SMILES, flexibase
-0.53,3.5,-53.63,2,7,1, 305.358, 4
23400531
 
#82

Leadscope via PubChem: LS-134184
ref: mol2, SDF, SMILES, flexibase
-0.62,1.69,-16.21,1,7,0, 290.323, 4
mid: mol2, SDF, SMILES, flexibase
-0.62,4,-53.15,2,7,1, 291.331, 4

Similar to: 88427, 19925078,
23400533
 
#83

Leadscope via PubChem: LS-134184
ref: mol2, SDF, SMILES, flexibase
-0.62,1.18,-17.87,1,7,0, 290.323, 4
mid: mol2, SDF, SMILES, flexibase
-0.62,3.45,-53.64,2,7,1, 291.331, 4

Similar to: 88427, 19925078,
33878698
 
#84

Leadscope via PubChem: LS-134185
ref: mol2, SDF, SMILES, flexibase
0.10,3.05,-13.99,0,6,0, 260.297, 2
mid: mol2, SDF, SMILES, flexibase
0.10,5.6,-49.56,1,6,1, 261.305, 2
95890573
 
#85

Leadscope via PubChem: LS-134186
ref: mol2, SDF, SMILES, flexibase
0.65,7.97,-49.02,1,9,1, 357.394, 3
mid: mol2, SDF, SMILES, flexibase
0.65,5.61,-21.44,0,9,0, 356.386, 3
6072149
 
#86

Chembo Pharma: KB-231394
Leadscope via PubChem: LS-134187
ref: mol2, SDF, SMILES, flexibase
1.17,8.02,-46.68,1,5,1, 259.333, 2
hi: mol2, SDF, SMILES, flexibase
1.17,5.54,-12.71,0,5,0, 258.325, 2
33865397
 
#87

Leadscope via PubChem: LS-134188
SureChEMBL: SCHEMBL11357339, SCHEMBL11352383, SCHEMBL11357125
ref: mol2, SDF, SMILES, flexibase
2.51,7.06,-12.46,0,3,0, 202.257, 2
mid: mol2, SDF, SMILES, flexibase
2.51,7.46,-35.78,1,3,1, 203.265, 2
95890572
 
#88

Leadscope via PubChem: LS-134190
ref: mol2, SDF, SMILES, flexibase
0.02,2.91,-13.81,0,6,0, 246.27, 2
mid: mol2, SDF, SMILES, flexibase
0.02,5.1,-49.25,1,6,1, 247.278, 2
38811431
 
#89

Leadscope via PubChem: LS-134191
ref: mol2, SDF, SMILES, flexibase
1.66,8.11,-20.84,0,8,0, 341.371, 3

Similar to: 42652300, 42652301, 42652302,
33984286
 
#90

Leadscope via PubChem: LS-134192
ref: mol2, SDF, SMILES, flexibase
2.57,6.88,-11.82,1,4,0, 249.273, 2
mid: mol2, SDF, SMILES, flexibase
3.03,5.02,-49.28,0,4,-1, 248.265, 2
95890571
 
#91

Leadscope via PubChem: LS-134193
ref: mol2, SDF, SMILES, flexibase
1.08,7.51,-47.28,1,5,1, 245.306, 2
hi: mol2, SDF, SMILES, flexibase
1.08,5.37,-12.98,0,5,0, 244.298, 2
33754454
 
#92

Leadscope via PubChem: LS-134194
ref: mol2, SDF, SMILES, flexibase
1.59,2.1,-48.02,0,5,-1, 223.215, 1
mid: mol2, SDF, SMILES, flexibase
1.13,3.94,-11.53,1,5,0, 224.223, 1
lo: mol2, SDF, SMILES, flexibase
1.59,2.57,-54.04,1,5,0, 224.223, 1
38816652
 
#93

Leadscope via PubChem: LS-134197
ref: mol2, SDF, SMILES, flexibase
1.55,8.79,-17.33,0,8,0, 359.43, 3
95890570
 
#94

Leadscope via PubChem: LS-134199
SureChEMBL: SCHEMBL11362227
ref: mol2, SDF, SMILES, flexibase
2.75,8.58,-12.82,0,3,0, 240.306, 1
5133809
 
#95

Leadscope via PubChem: LS-134200
ref: mol2, SDF, SMILES, flexibase
1.04,7.86,-17.84,0,8,0, 345.403, 3
33984288
 
#96

Leadscope via PubChem: LS-134201
ref: mol2, SDF, SMILES, flexibase
2.20,6.05,-16.95,1,7,0, 339.351, 5
mid: mol2, SDF, SMILES, flexibase
2.66,4.16,-49.22,0,7,-1, 338.343, 5
33865394
 
#97

Leadscope via PubChem: LS-134202
SureChEMBL: SCHEMBL11356063
ref: mol2, SDF, SMILES, flexibase
1.49,6.6,-33.68,1,3,1, 189.238, 0
mid: mol2, SDF, SMILES, flexibase
1.49,6.19,-11.7,0,3,0, 188.23, 0
3608683
 
#98

Leadscope via PubChem: LS-134203
3608682
 
#99

Leadscope via PubChem: LS-134203
3623622
 
#100

Leadscope via PubChem: LS-134204

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 = 758 ) limit 0,100

Smiles were