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8606550
 
#1

eMolecules: 9842527
AKOS: AKOS001511664
Innovapharm: STT-00147350
Mcule: MCULE-8470292750
Otava: 1686404...15 total

ref: mol2, SDF, SMILES, flexibase
5.45,12.11,-16.93,2,7,0, 497.595, 10
mid: mol2, SDF, SMILES, flexibase
5.45,12.88,-56.15,1,7,-1, 496.587, 10

Similar to: 8845308, 8845309, 9409153, 9409154, ... 5 in total.
8606549
 
#2

eMolecules: 9842527
AKOS: AKOS001511664
Innovapharm: STT-00147350
Mcule: MCULE-8470292750
Otava: 1686404...15 total

ref: mol2, SDF, SMILES, flexibase
5.45,11.83,-15.81,2,7,0, 497.595, 10
mid: mol2, SDF, SMILES, flexibase
5.45,12.6,-55.92,1,7,-1, 496.587, 10

Similar to: 8606550, 8845308, 8845309, 9409153, 9409154, ... 5 in total.
9409138
 
#3

eMolecules: 9842525
AKOS: AKOS001846875
Innovapharm: STT-00147349
Mcule: MCULE-7248841662
Otava: 1686403...11 total

ref: mol2, SDF, SMILES, flexibase
5.33,10.62,-10.67,2,5,0, 474.358, 5
mid: mol2, SDF, SMILES, flexibase
5.33,11.39,-49.74,1,5,-1, 473.35, 5
9409137
 
#4

eMolecules: 9842525
AKOS: AKOS001846875
Innovapharm: STT-00147349
Mcule: MCULE-7248841662
Otava: 1686403...11 total

ref: mol2, SDF, SMILES, flexibase
5.33,11.02,-10.67,2,5,0, 474.358, 5
mid: mol2, SDF, SMILES, flexibase
5.33,11.79,-49.84,1,5,-1, 473.35, 5
5339894
 
#5

eMolecules: 2638018, 30409738
AKOS: AKOS001846698
IBScreen: STOCK5S-29533
Innovapharm: STT-00147348
Mcule: MCULE-8830032356...15 total

ref: mol2, SDF, SMILES, flexibase
2.64,5.14,-16.18,2,8,0, 423.469, 8
mid: mol2, SDF, SMILES, flexibase
2.65,5.91,-55.3,1,8,-1, 422.461, 8
hi: mol2, SDF, SMILES, flexibase
2.62,5.84,-63.5,0,8,-1, 422.461, 8
hi: mol2, SDF, SMILES, flexibase
2.62,5.89,-54.88,0,8,-1, 422.461, 8
hi: mol2, SDF, SMILES, flexibase
2.64,6.22,-43.66,1,8,-1, 422.461, 8

Similar to: 5343472, 5343473, 5343738, 5343739, 6744882, ... 10 in total.
5339890
 
#6

eMolecules: 2638018, 30409738
AKOS: AKOS001846698
IBScreen: STOCK5S-29533
Innovapharm: STT-00147348
Mcule: MCULE-8830032356...15 total

ref: mol2, SDF, SMILES, flexibase
2.64,5.53,-15.07,2,8,0, 423.469, 8
mid: mol2, SDF, SMILES, flexibase
2.65,6.29,-54.93,1,8,-1, 422.461, 8
hi: mol2, SDF, SMILES, flexibase
2.62,6.1,-48.02,0,8,-1, 422.461, 8
hi: mol2, SDF, SMILES, flexibase
2.62,5.88,-60.63,0,8,-1, 422.461, 8
hi: mol2, SDF, SMILES, flexibase
2.64,6.55,-47.34,1,8,-1, 422.461, 8

Similar to: 5339894, 5343472, 5343473, 5343738, 5343739, ... 12 in total.
6752856
 
#7

eMolecules: 2638046
AKOS: AKOS001847405
Enamine: Z57907197
Innovapharm: STT-00147347
Mcule: MCULE-3062178204...12 total

ref: mol2, SDF, SMILES, flexibase
4.51,8.25,-13.13,2,6,0, 405.498, 7
mid: mol2, SDF, SMILES, flexibase
4.51,9.02,-53.44,1,6,-1, 404.49, 7

Similar to: 38610533, 38610536, 38610668, 38610670, ... 4 in total.
6752855
 
#8

eMolecules: 2638046
AKOS: AKOS001847405
Enamine: Z57907197
Innovapharm: STT-00147347
Mcule: MCULE-3062178204...12 total

ref: mol2, SDF, SMILES, flexibase
4.51,7.96,-13.68,2,6,0, 405.498, 7
mid: mol2, SDF, SMILES, flexibase
4.51,8.72,-54.5,1,6,-1, 404.49, 7

Similar to: 38610533, 38610536, 38610668, 38610670, ... 4 in total.
9409154
 
#9

eMolecules: 9842523
AKOS: AKOS001511810
Innovapharm: STT-00147346
Mcule: MCULE-3712519484
Otava: 1686400...11 total

ref: mol2, SDF, SMILES, flexibase
5.63,11.98,-17.06,2,7,0, 497.595, 10
mid: mol2, SDF, SMILES, flexibase
5.63,12.74,-55.99,1,7,-1, 496.587, 10

Similar to: 8606549, 8606550,
9409153
 
#10

eMolecules: 9842523
AKOS: AKOS001511810
Innovapharm: STT-00147346
Mcule: MCULE-3712519484
Otava: 1686400...11 total

ref: mol2, SDF, SMILES, flexibase
5.63,11.69,-16.04,2,7,0, 497.595, 10
mid: mol2, SDF, SMILES, flexibase
5.63,12.46,-55.82,1,7,-1, 496.587, 10

Similar to: 8606549, 8606550,
9409156
 
#11

eMolecules: 9842519
AKOS: AKOS001511827
Innovapharm: STT-00147344
Mcule: MCULE-4816831853
Otava: 1686399...11 total

ref: mol2, SDF, SMILES, flexibase
6.55,12.85,-13.42,2,6,0, 481.596, 10
mid: mol2, SDF, SMILES, flexibase
6.55,13.62,-52.77,1,6,-1, 480.588, 10

Similar to: 39912606, 39912607,
9409155
 
#12

eMolecules: 9842519
AKOS: AKOS001511827
Innovapharm: STT-00147344
Mcule: MCULE-4816831853
Otava: 1686399...11 total

ref: mol2, SDF, SMILES, flexibase
6.55,12.57,-13.93,2,6,0, 481.596, 10
mid: mol2, SDF, SMILES, flexibase
6.55,13.33,-53.74,1,6,-1, 480.588, 10

Similar to: 39912606, 39912607, 8845298, 8845299, 8845346, ... 6 in total.
9409150
 
#13

eMolecules: 9842517
AKOS: AKOS001511719
Innovapharm: STT-00147343
Mcule: MCULE-7626794834
Otava: 1686398...11 total

ref: mol2, SDF, SMILES, flexibase
6.28,12.85,-11.87,2,6,0, 487.559, 7
mid: mol2, SDF, SMILES, flexibase
6.28,13.62,-52.09,1,6,-1, 486.551, 7
8384284
 
#14

eMolecules: 8210043
AKOS: AKOS002233460
Innovapharm: STT-00102305
Mcule: MCULE-8767204827
Otava: 1680847...18 total

ref: mol2, SDF, SMILES, flexibase
4.89,13,-44.08,0,6,-1, 468.529, 10
mid: mol2, SDF, SMILES, flexibase
5.33,0.36,-25.66,1,6,0, 469.537, 9
mid: mol2, SDF, SMILES, flexibase
4.30,0.61,-21.14,0,6,0, 469.537, 10

Similar to: 33761731, 33761732, 33767608, 33767609, 34918895, ... 32 in total.
9409149
 
#15

eMolecules: 9842517
AKOS: AKOS001511719
Innovapharm: STT-00147343
Mcule: MCULE-7626794834
Otava: 1686398...11 total

ref: mol2, SDF, SMILES, flexibase
6.28,13.32,-11.93,2,6,0, 487.559, 7
mid: mol2, SDF, SMILES, flexibase
6.28,14.09,-52.58,1,6,-1, 486.551, 7
6752873
 
#16

eMolecules: 30408222, 4688689
AKOS: AKOS001511626
Enamine: Z57907192
IBScreen: STOCK5S-54718
Innovapharm: STT-00147342...16 total

ref: mol2, SDF, SMILES, flexibase
4.71,10.06,-13.73,2,5,0, 413.452, 5
mid: mol2, SDF, SMILES, flexibase
4.71,10.84,-51.84,1,5,-1, 412.444, 5
hi: mol2, SDF, SMILES, flexibase
4.69,10.72,-51.01,0,5,-1, 412.444, 5
hi: mol2, SDF, SMILES, flexibase
4.69,10.67,-57.47,0,5,-1, 412.444, 5
hi: mol2, SDF, SMILES, flexibase
4.71,11.02,-36.79,1,5,-1, 412.444, 5

Similar to: 5343821,
5343821
 
#17

eMolecules: 30408222, 4688689
AKOS: AKOS001511626
Enamine: Z57907192
IBScreen: STOCK5S-54718
Innovapharm: STT-00147342...16 total

ref: mol2, SDF, SMILES, flexibase
4.71,10.47,-13.54,2,5,0, 413.452, 5
mid: mol2, SDF, SMILES, flexibase
4.71,11.23,-51.96,1,5,-1, 412.444, 5
hi: mol2, SDF, SMILES, flexibase
4.69,10.71,-57.52,0,5,-1, 412.444, 5
hi: mol2, SDF, SMILES, flexibase
4.69,10.92,-43.58,0,5,-1, 412.444, 5
hi: mol2, SDF, SMILES, flexibase
4.71,11.37,-41.31,1,5,-1, 412.444, 5

Similar to: 6752873,
9409162
 
#18

eMolecules: 9842515
AKOS: AKOS001847581
Enamine: Z57907191
Innovapharm: STT-00147341
Mcule: MCULE-5079239897...12 total

ref: mol2, SDF, SMILES, flexibase
4.96,10.51,-11.75,2,6,0, 439.515, 7
mid: mol2, SDF, SMILES, flexibase
4.96,11.28,-51.6,1,6,-1, 438.507, 7
9409161
 
#19

eMolecules: 9842515
AKOS: AKOS001847581
Enamine: Z57907191
Innovapharm: STT-00147341
Mcule: MCULE-5079239897...12 total

ref: mol2, SDF, SMILES, flexibase
4.96,10.2,-11.27,2,6,0, 439.515, 7
mid: mol2, SDF, SMILES, flexibase
4.96,10.97,-51.47,1,6,-1, 438.507, 7
9409152
 
#20

eMolecules: 9842513
AKOS: AKOS001511773
Innovapharm: STT-00147340
Mcule: MCULE-3575587745
Otava: 1686395...11 total

ref: mol2, SDF, SMILES, flexibase
5.48,11.29,-13.54,2,6,0, 453.542, 8
mid: mol2, SDF, SMILES, flexibase
5.48,12.06,-52.91,1,6,-1, 452.534, 8

Similar to: 39912604, 39912605,
9409151
 
#21

eMolecules: 9842513
AKOS: AKOS001511773
Innovapharm: STT-00147340
Mcule: MCULE-3575587745
Otava: 1686395...11 total

ref: mol2, SDF, SMILES, flexibase
5.48,11,-13.95,2,6,0, 453.542, 8
mid: mol2, SDF, SMILES, flexibase
5.48,11.77,-53.79,1,6,-1, 452.534, 8

Similar to: 39912604, 39912605, 39912606, 39912607, ... 4 in total.
9425139
 
#22

eMolecules: 4576075, 46547183
AKOS: AKOS002224220, AKOS005708246
IBScreen: STOCK4S-24315
Innovapharm: STT-00103563
Mcule: MCULE-1717249854...22 total

ref: mol2, SDF, SMILES, flexibase
3.83,9.43,-61.14,0,8,-1, 494.564, 11
mid: mol2, SDF, SMILES, flexibase
4.27,8.69,-27.19,1,8,0, 495.572, 10
mid: mol2, SDF, SMILES, flexibase
3.24,-0.63,-21.74,0,8,0, 495.572, 11

Similar to: 40052980, 40052981, 40052988, 40052989, 40053930, ... 46 in total.
9425015
 
#23

eMolecules: 46491366, 4568866
AKOS: AKOS002224187, AKOS005493697
Enamine: Z57382682
IBScreen: STOCK4S-16623
Innovapharm: STT-00103561...25 total

ref: mol2, SDF, SMILES, flexibase
3.05,9.33,-57.25,0,8,-1, 466.51, 10
mid: mol2, SDF, SMILES, flexibase
3.50,7,-28.18,1,8,0, 467.518, 9

Similar to: 40052976, 40052977, 40052980, 40052981, 40053060, ... 30 in total.
9424269
 
#24

eMolecules: 46491366, 4568866
AKOS: AKOS002224187, AKOS005493697
Enamine: Z57382682
IBScreen: STOCK4S-16623
Innovapharm: STT-00103561...25 total

ref: mol2, SDF, SMILES, flexibase
3.05,8.93,-58.44,0,8,-1, 466.51, 10
mid: mol2, SDF, SMILES, flexibase
3.50,7.39,-27.34,1,8,0, 467.518, 9
mid: mol2, SDF, SMILES, flexibase
2.47,-1.06,-21.9,0,8,0, 467.518, 10

Similar to: 40052976, 40052977, 40052980, 40052981, 40054194, ... 28 in total.
3637411
 
#25

eMolecules: 26328810
AKOS: AKOS001679580
ChemDiv: 6187-2197
IBScreen: STOCK4S-09707
Innovapharm: STT-00103554...17 total

ref: mol2, SDF, SMILES, flexibase
4.90,13.23,-18.96,0,7,0, 483.578, 5
8384281
 
#26

eMolecules: 8210043
AKOS: AKOS002233460
Innovapharm: STT-00102305
Mcule: MCULE-8767204827
Otava: 1680847...18 total

ref: mol2, SDF, SMILES, flexibase
4.89,12.19,-42.72,0,6,-1, 468.529, 10
mid: mol2, SDF, SMILES, flexibase
4.30,0.59,-19.02,0,6,0, 469.537, 10
mid: mol2, SDF, SMILES, flexibase
5.33,0.36,-26.46,1,6,0, 469.537, 9

Similar to: 8384284, 33761731, 33761732, 33767608, 33767609, ... 34 in total.
13749886
 
#27

eMolecules: 4576259
AKOS: AKOS001679409
ChemDiv: 6187-2189
IBScreen: STOCK4S-24498
Innovapharm: STT-00103551...16 total

ref: mol2, SDF, SMILES, flexibase
5.17,13.32,-19.51,0,8,0, 507.575, 6

Similar to: 2263950, 9464017,
1117944
 
#28

eMolecules: 575906
AKOS: AKOS002233428
Aldrich CPR: L353957|ALDRICH
ChemBridge: 7319179
Enamine: Z57786161...20 total

ref: mol2, SDF, SMILES, flexibase
4.85,13.81,-51.53,0,6,-1, 482.487, 8
mid: mol2, SDF, SMILES, flexibase
5.30,11.99,-28.03,1,6,0, 483.495, 7
mid: mol2, SDF, SMILES, flexibase
4.26,12.99,-18.44,0,6,0, 483.495, 8

Similar to: 34932204, 34932206,
2337112
 
#29

eMolecules: 4567895
AKOS: AKOS001679565
ChemDiv: 6187-1997
IBScreen: STOCK4S-15548
Innovapharm: STT-00103548...17 total

ref: mol2, SDF, SMILES, flexibase
4.19,1.03,-20.57,0,7,0, 423.494, 7

Similar to: 13749126,
1117949
 
#30

eMolecules: 575906
AKOS: AKOS002233428
Aldrich CPR: L353957|ALDRICH
ChemBridge: 7319179
Enamine: Z57786161...20 total

ref: mol2, SDF, SMILES, flexibase
4.85,13.77,-54.58,0,6,-1, 482.487, 8
mid: mol2, SDF, SMILES, flexibase
5.30,11.57,-29.75,1,6,0, 483.495, 7
mid: mol2, SDF, SMILES, flexibase
4.26,12.61,-22.36,0,6,0, 483.495, 8

Similar to: 34932204, 34932206,
16735016
 
#31

eMolecules: 207214347
AKOS: AKOS002233415
Innovapharm: STT-00102300
Mcule: MCULE-9085462700
Otava: 1680843...13 total

ref: mol2, SDF, SMILES, flexibase
3.55,7.94,-16.65,1,6,0, 418.569, 6

Similar to: 33960064, 33960065, 33960169, 33960170, 33960174, ... 12 in total.
16735655
 
#32

eMolecules: 45964885
Molport: MolPort-019-948-968
AKOS: AKOS002238110
Innovapharm: STT-00103153
Mcule: MCULE-3398523051...11 total

ref: mol2, SDF, SMILES, flexibase
3.86,10.19,-16.13,0,5,0, 335.388, 3

Similar to: 27022436, 6642441,
4318641
 
#33

eMolecules: 45964883
Molport: MolPort-019-948-967
AKOS: AKOS002238109
Innovapharm: STT-00103152
Mcule: MCULE-1857351365...12 total

ref: mol2, SDF, SMILES, flexibase
4.64,1.17,-15.3,0,6,0, 405.479, 5

Similar to: 9282037, 27021631,
16735653
 
#34

eMolecules: 45964881
Molport: MolPort-019-948-965
AKOS: AKOS002238094
Innovapharm: STT-00103150
Mcule: MCULE-6712312584...11 total

ref: mol2, SDF, SMILES, flexibase
4.62,11.89,-17.22,0,6,0, 419.506, 6

Similar to: 27021627, 27022081, 27022423, 39858391, 39858400, ... 5 in total.
16735650
 
#35

eMolecules: 45964879
AKOS: AKOS002238078
Innovapharm: STT-00103149
Otava: 1681391
Princeton BioMolecular Research: OSSK_415298...9 total

ref: mol2, SDF, SMILES, flexibase
5.19,12.72,-16.25,0,5,0, 401.491, 5

Similar to: 5215310, 6259368,
16735647
 
#36

eMolecules: 45964877
Molport: MolPort-019-948-964
AKOS: AKOS002238077
Innovapharm: STT-00103148
Mcule: MCULE-4704477984...11 total

ref: mol2, SDF, SMILES, flexibase
5.69,13.47,-16.93,0,6,0, 447.56, 8

Similar to: 16736126, 16736408, 16742090, 16742153, 16742158, ... 12 in total.
16735644
 
#37

eMolecules: 45964875
Molport: MolPort-019-948-963
AKOS: AKOS002238063
Innovapharm: STT-00103147
Mcule: MCULE-7838854420...11 total

ref: mol2, SDF, SMILES, flexibase
5.89,12.63,-11.87,0,4,0, 414.317, 3

Similar to: 16779400, 27021535, 16735265,
16735641
 
#38

eMolecules: 45964873
Molport: MolPort-019-948-962
AKOS: AKOS002238062
Innovapharm: STT-00103146
Mcule: MCULE-9206670325...12 total

ref: mol2, SDF, SMILES, flexibase
5.84,14.95,-18.49,0,6,0, 481.577, 7

Similar to: 16735845, 27021637,
16735639
 
#39

eMolecules: 45964871
Molport: MolPort-019-948-961
AKOS: AKOS002238051
Innovapharm: STT-00103145
Mcule: MCULE-4777176317...11 total

ref: mol2, SDF, SMILES, flexibase
5.50,13.61,-16.64,0,6,0, 447.56, 8

Similar to: 16735647, 16736126, 16742090, 16742146, 16742407, ... 9 in total.
16735636
 
#40

eMolecules: 45964869
Molport: MolPort-019-948-960
AKOS: AKOS002238050
Innovapharm: STT-00103144
Mcule: MCULE-5666257940...11 total

ref: mol2, SDF, SMILES, flexibase
5.52,13.09,-13.79,0,4,0, 373.481, 4

Similar to: 16779391, 27021514, 27021592,
156175
 
#41

ChemMol: 96700448, 1030832
eMolecules: 514680
Acros Organics: 35638
AF ChemPharm: SC-1204
AK Scientific: 3261AE...56 total

ref: mol2, SDF, SMILES, flexibase
2.41,4.74,-8.08,0,3,0, 190.198, 2

Similar to: 34399385, 34535658, 34535660, 39234453, 39234455, ... 6 in total.
16735630
 
#42

eMolecules: 9816791
AKOS: AKOS002237980
Innovapharm: STT-00103137
Mcule: MCULE-4750155597
Otava: 1681380...11 total

ref: mol2, SDF, SMILES, flexibase
5.92,11.71,-13.01,1,5,0, 491.922, 8
lo: mol2, SDF, SMILES, flexibase
5.92,11.88,-47.75,2,5,1, 492.93, 8
16735624
 
#43

eMolecules: 9816785
AKOS: AKOS002237966
Innovapharm: STT-00103134
Mcule: MCULE-3864973048
Otava: 1681379...11 total

ref: mol2, SDF, SMILES, flexibase
5.95,11.6,-16.87,1,5,0, 491.922, 8
lo: mol2, SDF, SMILES, flexibase
5.95,11.77,-53.92,2,5,1, 492.93, 8
16735621
 
#44

eMolecules: 9816783
AKOS: AKOS002237956
Innovapharm: STT-00103133
Mcule: MCULE-6488146398
Otava: 1681378...11 total

ref: mol2, SDF, SMILES, flexibase
7.01,13.18,-16.6,1,5,0, 519.976, 10
lo: mol2, SDF, SMILES, flexibase
7.01,13.35,-53.97,2,5,1, 520.984, 10
16735618
 
#45

eMolecules: 9816781
AKOS: AKOS002237945
Innovapharm: STT-00103132
Mcule: MCULE-1726275184
Otava: 1681377...11 total

ref: mol2, SDF, SMILES, flexibase
5.27,10.56,-10.97,1,4,0, 453.898, 6
lo: mol2, SDF, SMILES, flexibase
5.27,10.82,-44.49,2,4,1, 454.906, 6
16735615
 
#46

eMolecules: 9816779
AKOS: AKOS002237944
Innovapharm: STT-00103131
Mcule: MCULE-5859024941
Otava: 1681376...11 total

ref: mol2, SDF, SMILES, flexibase
5.57,10.67,-17.09,1,5,0, 477.895, 7
lo: mol2, SDF, SMILES, flexibase
5.57,10.84,-53.98,2,5,1, 478.903, 7
16735612
 
#47

eMolecules: 9816773
AKOS: AKOS002237902
Innovapharm: STT-00103128
Mcule: MCULE-1802208505
Otava: 1681373...11 total

ref: mol2, SDF, SMILES, flexibase
6.99,13.29,-12.76,1,5,0, 519.976, 10
lo: mol2, SDF, SMILES, flexibase
6.99,13.47,-47.76,2,5,1, 520.984, 10
2220374
 
#48

eMolecules: 206990020
AKOS: AKOS002238048
IBScreen: STOCK4S-13842
Innovapharm: STT-00103116
Mcule: MCULE-1719883483...14 total

ref: mol2, SDF, SMILES, flexibase
5.74,1.13,-16.9,0,6,0, 455.967, 7

Similar to: 33706672,
13748289
 
#49

eMolecules: 206988301
AKOS: AKOS002238019
IBScreen: STOCK4S-14831
Innovapharm: STT-00103112
Mcule: MCULE-7635538184...13 total

ref: mol2, SDF, SMILES, flexibase
6.21,15.63,-14.19,0,6,0, 495.995, 4

Similar to: 34989301, 34989303, 34989525, 34989527, 34990207, ... 7 in total.
1790712
 
#50

eMolecules: 206980061
AKOS: AKOS002238007
IBScreen: STOCK4S-00458
Innovapharm: STT-00103111
Mcule: MCULE-4875546219...14 total

ref: mol2, SDF, SMILES, flexibase
7.49,1.54,-13.9,1,5,0, 468.022, 4
2395124
 
#51

eMolecules: 206996945
AKOS: AKOS002238006
IBScreen: STOCK4S-28812
Innovapharm: STT-00103110
Mcule: MCULE-7744177657...14 total

ref: mol2, SDF, SMILES, flexibase
5.72,11.19,-14.03,0,4,0, 408.697, 2

Similar to: 6503642, 6505390, 6505697, 6505699, 6535707, ... 11 in total.
2393672
 
#52

eMolecules: 206988375
AKOS: AKOS002237994
IBScreen: STOCK4S-27150
Innovapharm: STT-00103109
Mcule: MCULE-1728604934...13 total

ref: mol2, SDF, SMILES, flexibase
5.25,10.83,-14.28,0,4,0, 418.703, 2

Similar to: 34965329, 34965335, 34965337, 34965352, 34965353, ... 7 in total.
2438659
 
#53

eMolecules: 206973162
AKOS: AKOS002237993
IBScreen: STOCK4S-07620
Innovapharm: STT-00103108
Mcule: MCULE-8551977557...13 total

ref: mol2, SDF, SMILES, flexibase
5.60,0.31,-14.29,0,4,0, 389.867, 2

Similar to: 6536530, 40144945,
2397603
 
#54

eMolecules: 206996348
AKOS: AKOS002237978
IBScreen: STOCK4S-30758
Innovapharm: STT-00103107
Mcule: MCULE-5663879379...13 total

ref: mol2, SDF, SMILES, flexibase
5.70,11.29,-13.23,0,4,0, 408.697, 2

Similar to: 6505299, 6528114, 34386868, 34388995, 34966885, ... 9 in total.
2337242
 
#55

eMolecules: 206965577
AKOS: AKOS002237977
IBScreen: STOCK4S-15638
Innovapharm: STT-00103106
Mcule: MCULE-5281235383...14 total

ref: mol2, SDF, SMILES, flexibase
6.53,1.06,-16.97,0,6,0, 469.994, 9

Similar to: 33706672,
5100473
 
#56

eMolecules: 206987724
AKOS: AKOS002237965
IBScreen: STOCK3S-98034
Innovapharm: STT-00103105
Mcule: MCULE-4965244765...13 total

ref: mol2, SDF, SMILES, flexibase
5.12,0.06,-14.36,0,4,0, 374.252, 2

Similar to: 6505390, 530795, 530796,
2395873
 
#57

eMolecules: 206988689
AKOS: AKOS002237964
IBScreen: STOCK4S-29308
Innovapharm: STT-00103104
Mcule: MCULE-3870567285...14 total

ref: mol2, SDF, SMILES, flexibase
5.22,-0.55,-13.96,0,4,0, 418.703, 2

Similar to: 34965329, 2395872,
2383717
 
#58

eMolecules: 206981166
AKOS: AKOS002237955
IBScreen: STOCK4S-23899
Innovapharm: STT-00103103
Mcule: MCULE-2105239110...15 total

ref: mol2, SDF, SMILES, flexibase
5.18,0.64,-12.27,0,4,0, 392.242, 2

Similar to: 6364081, 34966897, 34966980, 34966981, 34966982, ... 6 in total.
2369463
 
#59

eMolecules: 206965620
AKOS: AKOS002237954
IBScreen: STOCK4S-17998
Innovapharm: STT-00103102
Mcule: MCULE-6508414147...13 total

ref: mol2, SDF, SMILES, flexibase
6.50,-0.12,-14.86,0,6,0, 505.386, 3

Similar to: 2389226, 34981443, 34981657, 34981658, 34981738, ... 20 in total.
2366594
 
#60

eMolecules: 206981212
AKOS: AKOS002237943
IBScreen: STOCK4S-10061
Innovapharm: STT-00103101
Mcule: MCULE-2517309496...14 total

ref: mol2, SDF, SMILES, flexibase
5.76,14.95,-14.34,0,6,0, 481.968, 4

Similar to: 13748289, 34989301, 34989303, 34990203, 34990205, ... 5 in total.
13752317
 
#61

eMolecules: 206981028
AKOS: AKOS002237927
IBScreen: STOCK3S-99964
Innovapharm: STT-00103100
Mcule: MCULE-8192086064...15 total

ref: mol2, SDF, SMILES, flexibase
5.68,13.5,-18.63,0,6,0, 475.957, 6

Similar to: 33590463,
13510683
 
#62

eMolecules: 206981348
AKOS: AKOS002237916
IBScreen: STOCK4S-00675
Innovapharm: STT-00103098
Mcule: MCULE-8126013198...14 total

ref: mol2, SDF, SMILES, flexibase
6.55,14.72,-14.04,0,6,0, 505.386, 3

Similar to: 33702993, 34968258, 34981446, 34981655, 34981656, ... 34 in total.
9471415
 
#63

eMolecules: 4565605, 46545028
AKOS: AKOS002238107, AKOS005705958
IBScreen: STOCK4S-13070
Innovapharm: STT-00103096
Mcule: MCULE-1875157068...22 total

ref: mol2, SDF, SMILES, flexibase
4.47,11.61,-57.5,0,6,-1, 519.371, 6
mid: mol2, SDF, SMILES, flexibase
4.92,10.95,-27.41,1,6,0, 520.379, 5
9471414
 
#64

eMolecules: 4565605, 46545028
AKOS: AKOS002238107, AKOS005705958
IBScreen: STOCK4S-13070
Innovapharm: STT-00103096
Mcule: MCULE-1875157068...22 total

ref: mol2, SDF, SMILES, flexibase
4.47,11.98,-57.22,0,6,-1, 519.371, 6
mid: mol2, SDF, SMILES, flexibase
4.92,10.93,-30.56,1,6,0, 520.379, 5
9470963
 
#65

eMolecules: 4557475, 46492150
AKOS: AKOS002238092, AKOS005494303
IBScreen: STOCK4S-04405
Innovapharm: STT-00103095
Mcule: MCULE-3378910769...22 total

ref: mol2, SDF, SMILES, flexibase
3.34,10.73,-62.04,0,8,-1, 500.527, 8
mid: mol2, SDF, SMILES, flexibase
3.78,9.59,-30.73,1,8,0, 501.535, 7
9455963
 
#66

eMolecules: 4557475, 46492150
AKOS: AKOS002238092, AKOS005494303
IBScreen: STOCK4S-04405
Innovapharm: STT-00103095
Mcule: MCULE-3378910769...22 total

ref: mol2, SDF, SMILES, flexibase
3.34,10.2,-61.92,0,8,-1, 500.527, 8
mid: mol2, SDF, SMILES, flexibase
3.78,9.18,-28.84,1,8,0, 501.535, 7
mid: mol2, SDF, SMILES, flexibase
2.75,10.19,-24.05,0,8,0, 501.535, 8
16735010
 
#67

eMolecules: 9816381
AKOS: AKOS002233393
Innovapharm: STT-00102297
Mcule: MCULE-4216495492
Otava: 1680840...9 total

ref: mol2, SDF, SMILES, flexibase
4.00,8.4,-14.52,1,7,0, 451.519, 12
mid: mol2, SDF, SMILES, flexibase
3.42,9.07,-20.96,0,7,0, 451.519, 12

Similar to: 16735013, 40077940, 40077941, 40078080, 40078081, ... 27 in total.
13511808
 
#68

eMolecules: 206989241
AKOS: AKOS002238074
IBScreen: STOCK4S-04269
Innovapharm: STT-00103094
Mcule: MCULE-8514930451...13 total

ref: mol2, SDF, SMILES, flexibase
5.94,12.62,-11.2,0,6,0, 501.793, 3

Similar to: 34981649, 34981650, 34981651, 34981655, 34981656, ... 37 in total.
13757791
 
#69

eMolecules: 206965630
AKOS: AKOS002238073
IBScreen: STOCK4S-30249
Innovapharm: STT-00103093
Mcule: MCULE-4186108209...14 total

ref: mol2, SDF, SMILES, flexibase
6.03,12.81,-17,0,6,0, 455.967, 8

Similar to: 33706672,
16805870
 
#70

eMolecules: 45964981
AKOS: AKOS002238199
Innovapharm: STT-00103546
Mcule: MCULE-5250904021
Otava: 1681669...10 total

ref: mol2, SDF, SMILES, flexibase
2.87,9.89,-16.53,2,7,0, 487.006, 6

Similar to: 33795847, 33795848, 33795849, 33795850, 33795851, ... 20 in total.
9308533
 
#71

eMolecules: 4646577, 46545477
AKOS: AKOS002238508, AKOS005706313
IBScreen: STOCK5S-01608
Innovapharm: STT-00103057
Mcule: MCULE-3630219942...21 total

ref: mol2, SDF, SMILES, flexibase
2.20,5.36,-60.11,0,9,-1, 519.983, 8
mid: mol2, SDF, SMILES, flexibase
1.62,5.31,-23.95,0,9,0, 520.991, 8
mid: mol2, SDF, SMILES, flexibase
2.65,4.33,-30.28,1,9,0, 520.991, 7

Similar to: 40111347, 40111349, 40111436, 40111439, 40111486, ... 8 in total.
9308532
 
#72

eMolecules: 4646577, 46545477
AKOS: AKOS002238508, AKOS005706313
IBScreen: STOCK5S-01608
Innovapharm: STT-00103057
Mcule: MCULE-3630219942...21 total

ref: mol2, SDF, SMILES, flexibase
2.20,5.64,-55.97,0,9,-1, 519.983, 8
mid: mol2, SDF, SMILES, flexibase
1.62,5.8,-22.51,0,9,0, 520.991, 8
mid: mol2, SDF, SMILES, flexibase
2.65,4.75,-32.79,1,9,0, 520.991, 7

Similar to: 40111347, 40111349, 40111436, 40111439, 40111486, ... 10 in total.
9307708
 
#73

eMolecules: 4641840, 46491987
AKOS: AKOS005493835, AKOS002238492
IBScreen: STOCK4S-95235
Innovapharm: STT-00103056
Mcule: MCULE-4090972104...21 total

ref: mol2, SDF, SMILES, flexibase
1.58,4.88,-44.99,0,10,-1, 515.564, 9
mid: mol2, SDF, SMILES, flexibase
0.99,4.09,-24.99,0,10,0, 516.572, 9
mid: mol2, SDF, SMILES, flexibase
2.02,3.11,-31.19,1,10,0, 516.572, 8

Similar to: 40111371, 40111373, 40111378, 40111386, 40111388, ... 19 in total.
9307707
 
#74

eMolecules: 4641840, 46491987
AKOS: AKOS005493835, AKOS002238492
IBScreen: STOCK4S-95235
Innovapharm: STT-00103056
Mcule: MCULE-4090972104...21 total

ref: mol2, SDF, SMILES, flexibase
1.58,4.96,-45.53,0,10,-1, 515.564, 9
mid: mol2, SDF, SMILES, flexibase
2.02,3.37,-32.97,1,10,0, 516.572, 8
mid: mol2, SDF, SMILES, flexibase
0.99,-6.12,-24.48,0,10,0, 516.572, 9

Similar to: 40111371, 40111373, 40111378, 40111386, 40111388, ... 21 in total.
9308504
 
#75

eMolecules: 4645198, 46545597
AKOS: AKOS002238579, AKOS005706742
IBScreen: STOCK4S-99729
Innovapharm: STT-00103045
Mcule: MCULE-8711004331...21 total

ref: mol2, SDF, SMILES, flexibase
2.70,7.29,-59.05,0,8,-1, 501.556, 8
mid: mol2, SDF, SMILES, flexibase
3.15,6.68,-30.58,1,8,0, 502.564, 7
mid: mol2, SDF, SMILES, flexibase
2.12,-4.16,-20.95,0,8,0, 502.564, 8

Similar to: 40110464, 40110466, 40111102, 40111104, 40111168, ... 20 in total.
9308503
 
#76

eMolecules: 4645198, 46545597
AKOS: AKOS002238579, AKOS005706742
IBScreen: STOCK4S-99729
Innovapharm: STT-00103045
Mcule: MCULE-8711004331...21 total

ref: mol2, SDF, SMILES, flexibase
2.70,7.81,-58.53,0,8,-1, 501.556, 8
mid: mol2, SDF, SMILES, flexibase
3.15,6.71,-29.59,1,8,0, 502.564, 7

Similar to: 40110464, 40110466, 40111102, 40111104, 40111168, ... 20 in total.
9307201
 
#77

eMolecules: 4640488, 46492495
AKOS: AKOS005494852, AKOS002238610
IBScreen: STOCK4S-93484
Innovapharm: STT-00103031
Mcule: MCULE-5079815743...21 total

ref: mol2, SDF, SMILES, flexibase
2.39,7.36,-45.71,0,8,-1, 471.555, 9
mid: mol2, SDF, SMILES, flexibase
2.84,6.01,-31.11,1,8,0, 472.563, 8
mid: mol2, SDF, SMILES, flexibase
1.81,-3.85,-23.5,0,8,0, 472.563, 9

Similar to: 40110767, 40110769, 40110775, 40110776, 40110782, ... 28 in total.
16805872
 
#78

eMolecules: 45964981
AKOS: AKOS002238199
Innovapharm: STT-00103546
Mcule: MCULE-5250904021
Otava: 1681669...10 total

ref: mol2, SDF, SMILES, flexibase
2.87,9.54,-16.96,2,7,0, 487.006, 6

Similar to: 33795847, 33795848, 33795849, 33795850, 33795851, ... 20 in total.
9308437
 
#79

eMolecules: 4640488, 46492495
AKOS: AKOS005494852, AKOS002238610
IBScreen: STOCK4S-93484
Innovapharm: STT-00103031
Mcule: MCULE-5079815743...21 total

ref: mol2, SDF, SMILES, flexibase
2.39,7.4,-45.2,0,8,-1, 471.555, 9
mid: mol2, SDF, SMILES, flexibase
2.84,5.51,-35.08,1,8,0, 472.563, 8
mid: mol2, SDF, SMILES, flexibase
1.81,-4.16,-28.69,0,8,0, 472.563, 9

Similar to: 40110767, 40110769, 40110775, 40110776, 40110782, ... 26 in total.
9307319
 
#80

eMolecules: 46534007, 2429971
AKOS: AKOS005695042, AKOS002238558
ChemBridge: 7021120
IBScreen: STOCK4S-93950
Innovapharm: STT-00103028...23 total

ref: mol2, SDF, SMILES, flexibase
1.79,6.28,-48.58,0,8,-1, 461.491, 8
mid: mol2, SDF, SMILES, flexibase
2.24,4.67,-33.22,1,8,0, 462.499, 7
mid: mol2, SDF, SMILES, flexibase
1.21,-3.42,-23.3,0,8,0, 462.499, 8

Similar to: 40110464, 40110466, 40110628, 40110630, 40110739, ... 18 in total.
16805868
 
#81

eMolecules: 9288560
AKOS: AKOS002238131
Innovapharm: STT-00103543
Mcule: MCULE-5139223670
Otava: 1681667...12 total

ref: mol2, SDF, SMILES, flexibase
8.31,16.11,-8.44,0,3,0, 505.005, 9
lo: mol2, SDF, SMILES, flexibase
8.31,16.29,-37.45,1,3,1, 506.013, 9

Similar to: 33700736,
9307318
 
#82

eMolecules: 46534007, 2429971
AKOS: AKOS005695042, AKOS002238558
ChemBridge: 7021120
IBScreen: STOCK4S-93950
Innovapharm: STT-00103028...23 total

ref: mol2, SDF, SMILES, flexibase
1.79,6.1,-47.85,0,8,-1, 461.491, 8
mid: mol2, SDF, SMILES, flexibase
2.24,4.05,-34.59,1,8,0, 462.499, 7
mid: mol2, SDF, SMILES, flexibase
1.21,-4.02,-23.65,0,8,0, 462.499, 8

Similar to: 40110464, 40110466, 40110628, 40110630, 40110739, ... 18 in total.
1108392
 
#83

ChemBridge: 7642149
Innovapharm: STT-00103011
Otava: 1681272
Princeton BioMolecular Research: OSSK_415160
TimTec: ST45204927...8 total

ref: mol2, SDF, SMILES, flexibase
4.18,14.87,-53.4,0,7,-1, 490.555, 11
mid: mol2, SDF, SMILES, flexibase
4.63,13.15,-31.04,1,7,0, 491.563, 10
mid: mol2, SDF, SMILES, flexibase
3.60,14.18,-23.18,0,7,0, 491.563, 11
mid: mol2, SDF, SMILES, flexibase
4.63,13.67,-54.8,2,7,1, 492.571, 10
mid: mol2, SDF, SMILES, flexibase
3.60,14.69,-53.32,1,7,1, 492.571, 11
mid: mol2, SDF, SMILES, flexibase
4.18,15.39,-70.46,1,7,0, 491.563, 11
lo: mol2, SDF, SMILES, flexibase
4.18,13.98,-45.84,2,7,1, 492.571, 11

Similar to: 8919249, 8982115, 34934993, 34934995, ... 4 in total.
1108393
 
#84

ChemBridge: 7642149
Innovapharm: STT-00103011
Otava: 1681272
Princeton BioMolecular Research: OSSK_415160
TimTec: ST45204927...8 total

ref: mol2, SDF, SMILES, flexibase
4.18,14.57,-54.14,0,7,-1, 490.555, 11
mid: mol2, SDF, SMILES, flexibase
4.63,12.77,-30.46,1,7,0, 491.563, 10
mid: mol2, SDF, SMILES, flexibase
3.60,13.73,-26.13,0,7,0, 491.563, 11
mid: mol2, SDF, SMILES, flexibase
4.63,13.29,-57.27,2,7,1, 492.571, 10
mid: mol2, SDF, SMILES, flexibase
3.60,14.25,-54.11,1,7,1, 492.571, 11
mid: mol2, SDF, SMILES, flexibase
4.18,15.09,-66.48,1,7,0, 491.563, 11
lo: mol2, SDF, SMILES, flexibase
4.18,13.58,-43.43,2,7,1, 492.571, 11

Similar to: 8919249, 8982115, 34934993, 34934995, ... 4 in total.
9281556
 
#85

eMolecules: 206973844
AKOS: AKOS002222883
IBScreen: STOCK4S-48055
Innovapharm: STT-00103003
Life Chemicals: F1673-4833...16 total

ref: mol2, SDF, SMILES, flexibase
4.50,0.78,-25.14,0,7,0, 452.495, 5

Similar to: 33588005, 33588006, 33675779,
2415802
 
#86

eMolecules: 26342237
AKOS: AKOS001692433
ChemDiv: 6392-0458
IBScreen: STOCK4S-48478
Innovapharm: STT-00103002...16 total

ref: mol2, SDF, SMILES, flexibase
4.66,-0.77,-23.44,0,7,0, 471.538, 5
6355365
 
#87

eMolecules: 2462141
AKOS: AKOS002222863
ChemBridge: 7641834
Enamine: Z57786801
Innovapharm: STT-00103001...19 total

ref: mol2, SDF, SMILES, flexibase
3.37,9.37,-60.42,0,8,-1, 466.51, 10
mid: mol2, SDF, SMILES, flexibase
3.81,1.38,-18.08,1,8,0, 467.518, 9
mid: mol2, SDF, SMILES, flexibase
2.78,1.62,-25.39,0,8,0, 467.518, 10

Similar to: 6379936, 6398422, 6620774, 6620776, 6620781, ... 195 in total.
6355362
 
#88

eMolecules: 2462141
AKOS: AKOS002222863
ChemBridge: 7641834
Enamine: Z57786801
Innovapharm: STT-00103001...19 total

ref: mol2, SDF, SMILES, flexibase
3.37,9.02,-60.88,0,8,-1, 466.51, 10
mid: mol2, SDF, SMILES, flexibase
3.81,1.54,-13.89,1,8,0, 467.518, 9
mid: mol2, SDF, SMILES, flexibase
2.78,1.77,-18.8,0,8,0, 467.518, 10

Similar to: 6355365, 6379936, 6398422, 6620774, 6620776, ... 197 in total.
9453212
 
#89

eMolecules: 46542325, 4554421
AKOS: AKOS002222851, AKOS005702945
Enamine: Z57382683
IBScreen: STOCK4S-01210
Innovapharm: STT-00103000...25 total

ref: mol2, SDF, SMILES, flexibase
2.82,7.85,-62.05,0,8,-1, 464.494, 10
mid: mol2, SDF, SMILES, flexibase
3.26,6.79,-28.45,1,8,0, 465.502, 9
mid: mol2, SDF, SMILES, flexibase
1.77,6.28,-49.75,2,6,1, 342.419, 4

Similar to: 40052954, 40052955, 40052978, 40052979, 40054606, ... 6 in total.
9453208
 
#90

eMolecules: 46542325, 4554421
AKOS: AKOS002222851, AKOS005702945
Enamine: Z57382683
IBScreen: STOCK4S-01210
Innovapharm: STT-00103000...25 total

ref: mol2, SDF, SMILES, flexibase
2.82,8.23,-60.4,0,8,-1, 464.494, 10
mid: mol2, SDF, SMILES, flexibase
3.26,7.17,-27.63,1,8,0, 465.502, 9
mid: mol2, SDF, SMILES, flexibase
2.24,8.15,-22.2,0,8,0, 465.502, 10

Similar to: 40052954, 40052955, 40052978, 40052979, 40054606, ... 6 in total.
9425259
 
#91

eMolecules: 4578228, 46542333
AKOS: AKOS002222838, AKOS005703066
IBScreen: STOCK4S-26688
Innovapharm: STT-00102999
Mcule: MCULE-2705030813...22 total

ref: mol2, SDF, SMILES, flexibase
2.54,8.63,-61.93,0,9,-1, 496.536, 11
mid: mol2, SDF, SMILES, flexibase
1.96,8.03,-26.15,0,9,0, 497.544, 11
mid: mol2, SDF, SMILES, flexibase
2.99,7.01,-31.43,1,9,0, 497.544, 10

Similar to: 16741336, 35003751, 35003752, 35003761, 35003763, ... 18 in total.
9425258
 
#92

eMolecules: 4578228, 46542333
AKOS: AKOS002222838, AKOS005703066
IBScreen: STOCK4S-26688
Innovapharm: STT-00102999
Mcule: MCULE-2705030813...22 total

ref: mol2, SDF, SMILES, flexibase
2.54,8.09,-63.61,0,9,-1, 496.536, 11
mid: mol2, SDF, SMILES, flexibase
1.96,7.99,-28.14,0,9,0, 497.544, 11
mid: mol2, SDF, SMILES, flexibase
2.99,7.02,-30.29,1,9,0, 497.544, 10

Similar to: 16741336, 35003751, 35003752, 35003761, 35003763, ... 16 in total.
2403770
 
#93

eMolecules: 26347455
AKOS: AKOS001693042
ChemDiv: 6392-0657
IBScreen: STOCK4S-68095
Innovapharm: STT-00102998...16 total

ref: mol2, SDF, SMILES, flexibase
4.09,0.46,-15.52,1,7,0, 465.307, 6

Similar to: 2411100,
2411100
 
#94

eMolecules: 26341131
AKOS: AKOS001692954
ChemDiv: 6392-0656
IBScreen: STOCK4S-44160
Innovapharm: STT-00102989...15 total

ref: mol2, SDF, SMILES, flexibase
3.82,0.02,-15.73,1,7,0, 453.296, 5

Similar to: 2403770,
2425575
 
#95

eMolecules: 26349081
AKOS: AKOS001693684
ChemDiv: 6392-0758
IBScreen: STOCK4S-74486
Innovapharm: STT-00102988...15 total

ref: mol2, SDF, SMILES, flexibase
5.46,12.19,-16.54,1,7,0, 470.916, 5

Similar to: 39858496, 39858497, 39858502, 39858509, 39858519, ... 55 in total.
13786815
 
#96

eMolecules: 26350644
AKOS: AKOS001693547
ChemDiv: 6392-0756
IBScreen: STOCK4S-80362
Innovapharm: STT-00102987...16 total

ref: mol2, SDF, SMILES, flexibase
5.22,11.34,-15.64,1,7,0, 462.937, 5

Similar to: 33588011, 33588012,
8590167
 
#97

eMolecules: 9120740
AKOS: AKOS001674288
ChemDiv: 6187-1468
Innovapharm: STT-00102974
Mcule: MCULE-1063300855...17 total

ref: mol2, SDF, SMILES, flexibase
5.30,10.37,-12.23,1,4,0, 453.898, 6
2404233
 
#98

eMolecules: 26347555
AKOS: AKOS001692059
ChemDiv: 6392-0317
IBScreen: STOCK4S-68489
Innovapharm: STT-00102973...15 total

ref: mol2, SDF, SMILES, flexibase
2.60,6.94,-21.03,1,8,0, 422.416, 8
2408170
 
#99

eMolecules: 26343783
AKOS: AKOS001691695
ChemDiv: 6392-0339
IBScreen: STOCK4S-54387
Innovapharm: STT-00102972...15 total

ref: mol2, SDF, SMILES, flexibase
3.75,0.78,-20.22,1,7,0, 418.428, 5
2418829
 
#100

eMolecules: 26343199
AKOS: AKOS001691878
ChemDiv: 6392-0314
IBScreen: STOCK4S-52193
Innovapharm: STT-00102970...15 total

ref: mol2, SDF, SMILES, flexibase
2.35,0.74,-20.82,1,7,0, 364.336, 4

Similar to: 39858719, 39858721,

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 = 8 ) limit 0,100

Smiles were