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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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95921999
 
#1

Chemstep: 8175
hi: mol2, SDF, SMILES, flexibase
2.52,6.39,-7.31,1,2,0, 228.32, 0
95921998
 
#2

Chemstep: 8175
hi: mol2, SDF, SMILES, flexibase
2.52,6.39,-7.31,1,2,0, 228.32, 0
95921997
 
#3

Chemstep: 7929
hi: mol2, SDF, SMILES, flexibase
2.52,6.21,-7.3,1,2,0, 228.32, 0
95921996
 
#4

Chemstep: 7929
hi: mol2, SDF, SMILES, flexibase
2.52,6.21,-7.28,1,2,0, 228.32, 0
56679130
 
#5

Chembo Pharma: KB-300247
Chemstep: 7228
BOC Sciences BB (Depleted): 170937-98-1
ref: mol2, SDF, SMILES, flexibase
2.93,7.45,-10.5,1,1,0, 189.283, 4
95921995
 
#6

eMolecules: 1305180
BioBlocks: A2181/0091652
Chemstep: 9151
Innovapharm: STT-00011784
Vitas-M: STK728420...8 total

ref: mol2, SDF, SMILES, flexibase
1.48,3.23,-38.48,0,4,-1, 202.218, 1
95921994
 
#7

Chemstep: 9133
lo: mol2, SDF, SMILES, flexibase
0.83,-0.65,-91.56,7,4,2, 196.279, 1
95921993
 
#8

Chemstep: 9100
95921992
 
#9

Chemstep: 8968
95921991
 
#10

Chemstep: 8383
95921990
 
#11

Chemstep: 8332
95921989
 
#12

Chemstep: 8327
95921988
 
#13

Chemstep: 8299
95921987
 
#14

Chemstep: 8031
95921986
 
#15

Chemstep: 7949
95921985
 
#16

Chemstep: 7942
95921984
 
#17

Chemstep: 7888
BOC Sciences BB (Depleted): 123150-31-2
SureChEMBL: SCHEMBL4663453, SCHEMBL4665559, SCHEMBL14079742, SCHEMBL4667260
ref: mol2, SDF, SMILES, flexibase
2.07,5.83,-7.05,1,2,0, 191.255, 1
95921983
 
#18

Chembo Pharma: KB-289327
Chemstep: 10967
SureChEMBL: SCHEMBL9079752
ref: mol2, SDF, SMILES, flexibase
1.29,5.8,-26.27,3,3,1, 160.2, 0
hi: mol2, SDF, SMILES, flexibase
1.29,5.32,-10.32,2,3,0, 159.192, 0
95921982
 
#19

Chembo Pharma: KB-154980
Chemstep: 10951
ref: mol2, SDF, SMILES, flexibase
1.96,6.97,-25.38,2,3,1, 174.227, 0
hi: mol2, SDF, SMILES, flexibase
1.96,6.49,-10.88,1,3,0, 173.219, 0
95921981
 
#20

Chembo Pharma: KB-154982
Chemstep: 10950
ref: mol2, SDF, SMILES, flexibase
2.19,6.82,-28.05,2,3,1, 194.645, 0
mid: mol2, SDF, SMILES, flexibase
2.19,6.35,-9.15,1,3,0, 193.637, 0
95921980
 
#21

Chembo Pharma: KB-154984
Chemstep: 10949
ref: mol2, SDF, SMILES, flexibase
2.43,7.73,-25.45,2,3,1, 188.254, 1
hi: mol2, SDF, SMILES, flexibase
2.43,7.26,-10.6,1,3,0, 187.246, 1
95921979
 
#22

Chembo Pharma: KB-154981
Chemstep: 10948
ref: mol2, SDF, SMILES, flexibase
1.94,6.95,-25.18,2,3,1, 174.227, 0
hi: mol2, SDF, SMILES, flexibase
1.94,6.47,-10.87,1,3,0, 173.219, 0
95921978
 
#23

Chemstep: 10946
ref: mol2, SDF, SMILES, flexibase
2.26,6.16,-90.31,3,3,2, 197.241, 0
95921977
 
#24

Chemstep: 10935
SureChEMBL: SCHEMBL7965261
ref: mol2, SDF, SMILES, flexibase
1.29,1.75,-12.86,1,4,0, 192.218, 2
hi: mol2, SDF, SMILES, flexibase
1.29,2.51,-59.56,0,4,-1, 191.21, 2
lo: mol2, SDF, SMILES, flexibase
1.29,3.2,-33.92,1,4,0, 192.218, 2
95921976
 
#25

Chemstep: 10929
SureChEMBL: SCHEMBL7033878
ref: mol2, SDF, SMILES, flexibase
1.29,4.98,-8.27,2,3,0, 175.235, 1
mid: mol2, SDF, SMILES, flexibase
1.29,5.45,-28.22,3,3,1, 176.243, 1
95921975
 
#26

Chemstep: 10927
SureChEMBL: SCHEMBL7034010
ref: mol2, SDF, SMILES, flexibase
1.43,5.38,-8.46,2,3,0, 175.235, 2
lo: mol2, SDF, SMILES, flexibase
1.43,5.85,-30.06,3,3,1, 176.243, 2
95921974
 
#27

Chemstep: 10923
SureChEMBL: SCHEMBL7029398
ref: mol2, SDF, SMILES, flexibase
2.12,4.32,-8.26,3,3,0, 175.235, 2
mid: mol2, SDF, SMILES, flexibase
2.12,4.29,-8.88,3,3,0, 175.235, 2
lo: mol2, SDF, SMILES, flexibase
2.12,4.8,-32.35,4,3,1, 176.243, 2
95921973
 
#28

Chemstep: 10922
SureChEMBL: SCHEMBL7029416
ref: mol2, SDF, SMILES, flexibase
2.68,5.1,-8.18,3,3,0, 189.262, 3
mid: mol2, SDF, SMILES, flexibase
2.68,5.07,-8.71,3,3,0, 189.262, 3
lo: mol2, SDF, SMILES, flexibase
2.68,5.58,-32.49,4,3,1, 190.27, 3
95921972
 
#29

Chemstep: 10920
SureChEMBL: SCHEMBL7030876
ref: mol2, SDF, SMILES, flexibase
1.67,5.72,-8.22,2,3,0, 189.262, 2
mid: mol2, SDF, SMILES, flexibase
1.67,6.19,-29.66,3,3,1, 190.27, 2
95921971
 
#30

Chemstep: 10917
Debye Scientific BB (Depleted): DA-09175
SureChEMBL: SCHEMBL7090535
ref: mol2, SDF, SMILES, flexibase
0.86,2.66,-8.62,3,3,0, 147.181, 0
mid: mol2, SDF, SMILES, flexibase
0.86,2.64,-9.53,3,3,0, 147.181, 0
lo: mol2, SDF, SMILES, flexibase
0.86,3.14,-32.34,4,3,1, 148.189, 0
95921970
 
#31

Chemstep: 10916
SureChEMBL: SCHEMBL7093035
ref: mol2, SDF, SMILES, flexibase
1.32,3.43,-8.32,3,3,0, 161.208, 1
mid: mol2, SDF, SMILES, flexibase
1.32,3.41,-9.13,3,3,0, 161.208, 1
lo: mol2, SDF, SMILES, flexibase
1.32,3.91,-32.18,4,3,1, 162.216, 1
95921969
 
#32

Chemstep: 10915
SureChEMBL: SCHEMBL7091970
ref: mol2, SDF, SMILES, flexibase
2.27,4.99,-8.18,3,3,0, 189.262, 3
lo: mol2, SDF, SMILES, flexibase
2.27,5.47,-32.57,4,3,1, 190.27, 3
95921968
 
#33

Chemstep: 10914
SureChEMBL: SCHEMBL7017890
ref: mol2, SDF, SMILES, flexibase
2.10,4.58,-7.11,1,3,0, 196.637, 1
95921967
 
#34

Chemstep: 10914
SureChEMBL: SCHEMBL7017890
ref: mol2, SDF, SMILES, flexibase
2.10,4.76,-9.78,1,3,0, 196.637, 1
95921966
 
#35

Chembo Pharma: KB-192338
Chemstep: 10910
ref: mol2, SDF, SMILES, flexibase
2.02,4.24,-11.84,1,4,0, 187.202, 1
95921965
 
#36

Chemstep: 10908
ref: mol2, SDF, SMILES, flexibase
1.36,7.87,-12.33,0,3,0, 185.23, 2
lo: mol2, SDF, SMILES, flexibase
1.36,8.35,-42.16,1,3,1, 186.238, 2
95921964
 
#37

Chemstep: 10907
ref: mol2, SDF, SMILES, flexibase
1.36,7.54,-12.23,0,3,0, 185.23, 2
lo: mol2, SDF, SMILES, flexibase
1.36,8.02,-41.94,1,3,1, 186.238, 2
95921963
 
#38

Chembo Pharma: KB-182482
Chemstep: 10904
ref: mol2, SDF, SMILES, flexibase
1.54,4.83,-9.08,0,3,0, 171.203, 0
lo: mol2, SDF, SMILES, flexibase
1.54,5.26,-26.7,1,3,1, 172.211, 0
95921962
 
#39

Chembo Pharma: KB-155036
Chemstep: 10902
ref: mol2, SDF, SMILES, flexibase
1.43,5.64,-16.47,1,3,0, 189.243, 0
mid: mol2, SDF, SMILES, flexibase
1.43,6.07,-46.36,2,3,1, 190.251, 0
95921961
 
#40

Chembo Pharma: KB-182481
Chemstep: 10901
ref: mol2, SDF, SMILES, flexibase
1.75,4.76,-7.11,0,3,0, 191.621, 0
95921960
 
#41

Chemstep: 10900
SureChEMBL: SCHEMBL6142168
ref: mol2, SDF, SMILES, flexibase
1.33,4.44,-9.72,2,3,0, 161.208, 0
mid: mol2, SDF, SMILES, flexibase
1.33,4.93,-30.19,3,3,1, 162.216, 0
95921959
 
#42

Chemstep: 10899
ref: mol2, SDF, SMILES, flexibase
2.45,6.11,-6.74,0,2,0, 198.628, 1
lo: mol2, SDF, SMILES, flexibase
2.45,6.55,-27.08,1,2,1, 199.636, 1
95921958
 
#43

Chemstep: 10899
ref: mol2, SDF, SMILES, flexibase
2.45,6.1,-6.73,0,2,0, 198.628, 1
lo: mol2, SDF, SMILES, flexibase
2.45,6.53,-27.08,1,2,1, 199.636, 1
95921957
 
#44

Chemstep: 10898
SureChEMBL: SCHEMBL6479741
ref: mol2, SDF, SMILES, flexibase
2.14,5.78,-9.55,0,2,0, 182.173, 1
95921956
 
#45

Chembo Pharma: KB-154677
Chemstep: 10896
SureChEMBL: SCHEMBL8802469
ref: mol2, SDF, SMILES, flexibase
1.17,2.86,-9.56,3,5,0, 191.19, 2
lo: mol2, SDF, SMILES, flexibase
1.17,3.35,-39.73,4,5,1, 192.198, 2
95921955
 
#46

Chemstep: 10892
ref: mol2, SDF, SMILES, flexibase
2.53,7.9,-15.5,0,3,0, 197.241, 1
lo: mol2, SDF, SMILES, flexibase
2.53,8.38,-37.93,1,3,1, 198.249, 1
95921954
 
#47

Chemstep: 10890
ref: mol2, SDF, SMILES, flexibase
2.33,6.64,-9.41,0,2,0, 172.231, 1
mid: mol2, SDF, SMILES, flexibase
2.33,7.08,-23.09,1,2,1, 173.239, 1
95921953
 
#48

Chemstep: 10889
ref: mol2, SDF, SMILES, flexibase
1.87,7.16,-8.04,0,2,0, 190.271, 1
lo: mol2, SDF, SMILES, flexibase
1.87,7.63,-34.77,1,2,1, 191.279, 1
95921952
 
#49

Chemstep: 10877
ref: mol2, SDF, SMILES, flexibase
2.95,7.69,-7.76,0,2,0, 186.258, 2
mid: mol2, SDF, SMILES, flexibase
2.95,8.17,-28.37,1,2,1, 187.266, 2
33947885
 
#50

Chemstep: 10875
SureChEMBL: SCHEMBL9745498
ref: mol2, SDF, SMILES, flexibase
3.17,8.73,-8.1,0,2,0, 186.258, 2
mid: mol2, SDF, SMILES, flexibase
3.17,9.22,-30.31,1,2,1, 187.266, 2
82539461
 
#51

Chemstep: 10864
Enamine BB Make on Demand: BBV-37744315
ref: mol2, SDF, SMILES, flexibase
1.51,2.09,-9.15,3,3,0, 183.161, 1
lo: mol2, SDF, SMILES, flexibase
1.51,2.09,-8.04,3,3,0, 183.161, 1
95921951
 
#52

Chemstep: 10861
SureChEMBL: SCHEMBL8601355
ref: mol2, SDF, SMILES, flexibase
1.52,5.37,-16.8,2,6,0, 192.178, 2
95921950
 
#53

Chemstep: 10860
ref: mol2, SDF, SMILES, flexibase
0.37,2.36,-49.56,4,4,1, 192.242, 2
hi: mol2, SDF, SMILES, flexibase
0.37,1.96,-9.27,3,4,0, 191.234, 2
95921949
 
#54

Chemstep: 10856
ref: mol2, SDF, SMILES, flexibase
2.31,6.82,-10.56,0,2,0, 172.231, 0
mid: mol2, SDF, SMILES, flexibase
2.31,7.25,-25.45,1,2,1, 173.239, 0
95921948
 
#55

Chemstep: 10855
ref: mol2, SDF, SMILES, flexibase
2.31,6.76,-10.85,0,2,0, 172.231, 0
mid: mol2, SDF, SMILES, flexibase
2.31,7.2,-25.83,1,2,1, 173.239, 0
95921947
 
#56

Chemstep: 10854
ref: mol2, SDF, SMILES, flexibase
1.35,4.07,-10.11,2,3,0, 173.219, 0
mid: mol2, SDF, SMILES, flexibase
1.35,4.51,-26.01,3,3,1, 174.227, 0
95921946
 
#57

Chemstep: 10853
ref: mol2, SDF, SMILES, flexibase
1.35,4.07,-11.53,2,3,0, 173.219, 0
mid: mol2, SDF, SMILES, flexibase
1.35,4.5,-26.18,3,3,1, 174.227, 0
39074453
 
#58

Chemstep: 10850
BOC Sciences BB (Depleted): 191847-81-1
ref: mol2, SDF, SMILES, flexibase
1.41,3.34,-8.28,1,3,0, 170.118, 0
mid: mol2, SDF, SMILES, flexibase
1.41,4.36,-38.08,0,3,-1, 169.11, 0
95921945
 
#59

Chemstep: 10848
ref: mol2, SDF, SMILES, flexibase
2.50,4.86,-7.8,1,3,0, 190.246, 3
mid: mol2, SDF, SMILES, flexibase
2.50,4.86,-9.91,1,3,0, 190.246, 3
lo: mol2, SDF, SMILES, flexibase
2.50,5.27,-28.16,2,3,1, 191.254, 3
95921944
 
#60

Chemstep: 10847
BOC Sciences BB (Depleted): 192505-91-2
ref: mol2, SDF, SMILES, flexibase
2.14,7.46,-8.51,0,2,0, 172.231, 1
mid: mol2, SDF, SMILES, flexibase
2.14,7.9,-25.24,1,2,1, 173.239, 1
95921943
 
#61

Chembo Pharma: KB-154532
Chemstep: 10845
SureChEMBL: SCHEMBL7473120
ref: mol2, SDF, SMILES, flexibase
1.78,-0.52,-9.51,3,4,0, 192.218, 1
lo: mol2, SDF, SMILES, flexibase
1.78,1.46,-80.04,2,4,-1, 191.21, 1
95921942
 
#62

Chemstep: 10843
ref: mol2, SDF, SMILES, flexibase
2.12,4.97,-9,1,3,0, 188.23, 3
lo: mol2, SDF, SMILES, flexibase
2.12,5.45,-36.89,2,3,1, 189.238, 3
lo: mol2, SDF, SMILES, flexibase
2.12,4.95,-9.61,1,3,0, 188.23, 3
95921941
 
#63

Chemstep: 10842
ref: mol2, SDF, SMILES, flexibase
2.29,8.6,-10.87,0,2,0, 198.269, 3
mid: mol2, SDF, SMILES, flexibase
2.29,9.04,-29.61,1,2,1, 199.277, 3
95921940
 
#64

BOC Sciences BB: 193533-78-7
Chembo Pharma: KB-277824
Chemstep: 10841
SureChEMBL: SCHEMBL8326109
ref: mol2, SDF, SMILES, flexibase
0.88,2.36,-15,2,4,0, 186.218, 3
lo: mol2, SDF, SMILES, flexibase
0.88,3.16,-38.5,3,4,1, 187.226, 3
95921939
 
#65

Chembo Pharma: KB-294176
Chemstep: 10836
ref: mol2, SDF, SMILES, flexibase
1.41,5.86,-29.24,3,3,1, 178.19, 0
mid: mol2, SDF, SMILES, flexibase
1.41,5.38,-10.35,2,3,0, 177.182, 0
95921938
 
#66

Chemstep: 10834
SureChEMBL: SCHEMBL7476471
ref: mol2, SDF, SMILES, flexibase
1.98,8.44,-41.66,0,3,-1, 174.208, 0
lo: mol2, SDF, SMILES, flexibase
1.26,8.68,-13.39,1,3,0, 175.216, 0
95921937
 
#67

Chembo Pharma: KB-192337
Chemstep: 10833
ref: mol2, SDF, SMILES, flexibase
2.37,5.63,-9.96,1,3,0, 171.203, 0
95921936
 
#68

Chemstep: 10831
ref: mol2, SDF, SMILES, flexibase
0.60,2.56,-11.17,2,5,0, 192.174, 2
95921935
 
#69

Chemstep: 10826
BOC Sciences BB (Depleted): 199853-99-1
SureChEMBL: SCHEMBL11786682, SCHEMBL6972586
ref: mol2, SDF, SMILES, flexibase
1.08,5.92,-38.99,6,5,1, 190.23, 2
mid: mol2, SDF, SMILES, flexibase
1.08,5.93,-39.26,6,5,1, 190.23, 2
mid: mol2, SDF, SMILES, flexibase
1.08,6.4,-94.86,7,5,2, 191.238, 2
hi: mol2, SDF, SMILES, flexibase
0.96,3.77,-11.62,5,5,0, 189.222, 1
95921934
 
#70

Chemstep: 10825
ref: mol2, SDF, SMILES, flexibase
2.35,5.55,-9.38,1,2,0, 178.622, 1
lo: mol2, SDF, SMILES, flexibase
2.35,5.75,-26.4,2,2,1, 179.63, 1
95921933
 
#71

Chemstep: 10824
ref: mol2, SDF, SMILES, flexibase
2.41,7.19,-10.53,0,2,0, 192.649, 1
lo: mol2, SDF, SMILES, flexibase
2.41,7.37,-25.43,1,2,1, 193.657, 1
95921932
 
#72

Chemstep: 10822
BOC Sciences BB (Depleted): 202127-01-3
ref: mol2, SDF, SMILES, flexibase
1.96,5.3,-15.08,0,4,0, 190.202, 2
95921931
 
#73

Chemstep: 10818
lo: mol2, SDF, SMILES, flexibase
-3.19,-0.39,-32.24,3,4,1, 176.199, 0
45238649
 
#74

Chembo Pharma: KB-272333
Chemstep: 10802
Sphinx Make-on-demand: BIM-27-2489
BOC Sciences BB (Depleted): 208261-87-4
PubChem: 18316612...5 total

ref: mol2, SDF, SMILES, flexibase
1.44,3.13,-9.25,1,4,0, 190.202, 2
8677530
 
#75

eMolecules: 5784440, 1489759, 1828396
Molport: MolPort-002-007-589
AK Scientific: 4385AE
AKOS: AKOS000676603, AKOS005698084, AKOS001261932
Alinda Building Blocks: ALBB-017155...51 total

ref: mol2, SDF, SMILES, flexibase
1.77,7.23,-15.9,1,4,0, 199.213, 0
mid: mol2, SDF, SMILES, flexibase
2.22,5.85,-45.77,0,4,-1, 198.205, 0
lo: mol2, SDF, SMILES, flexibase
1.77,7.64,-36.08,2,4,1, 200.221, 0

Similar to: 15830041, 38568017, 38568018,
45238573
 
#76

Chemstep: 10733
SureChEMBL: SCHEMBL7649873
ref: mol2, SDF, SMILES, flexibase
0.64,0.48,-10.35,2,4,0, 176.175, 2
lo: mol2, SDF, SMILES, flexibase
0.64,0.48,-11.99,2,4,0, 176.175, 2
45238572
 
#77

Chemstep: 10732
ref: mol2, SDF, SMILES, flexibase
0.25,2.41,-54.95,4,4,1, 187.226, 2
hi: mol2, SDF, SMILES, flexibase
0.25,2.02,-8.45,3,4,0, 186.218, 2
hi: mol2, SDF, SMILES, flexibase
0.25,2.01,-9.65,3,4,0, 186.218, 2
38523184
 
#78

Chemstep: 10702
PubChem: 10329764
SureChEMBL: SCHEMBL4638909
ref: mol2, SDF, SMILES, flexibase
0.95,3.17,-12.69,3,4,0, 172.191, 0
45238553
 
#79

Chemstep: 10701
SureChEMBL: SCHEMBL6976354
ref: mol2, SDF, SMILES, flexibase
1.36,2.85,-11.14,3,3,0, 165.171, 0
lo: mol2, SDF, SMILES, flexibase
1.36,3.33,-33.82,4,3,1, 166.179, 0
45238552
 
#80

Chemstep: 10698
BOC Sciences BB (Depleted): 277741-60-3
ref: mol2, SDF, SMILES, flexibase
-2.92,4.03,-24.24,5,5,1, 178.219, 2
45238547
 
#81

Chemstep: 10693
BOC Sciences BB (Depleted): 288384-91-8
SureChEMBL: SCHEMBL4376237
ref: mol2, SDF, SMILES, flexibase
1.92,1.03,-7.69,2,3,0, 168.583, 0
6293964
 
#82

eMolecules: 25618497, 207124493
Molport: MolPort-004-753-293
Chemstep: 10677, 12165
Enamine Building Blocks: EN300-41511
Life Chemicals: F0797-0036...25 total

ref: mol2, SDF, SMILES, flexibase
0.83,0.68,-10.81,1,4,0, 199.213, 2

Similar to: 6293972,
13130099
 
#83

eMolecules: 1301409
Molport: MolPort-001-953-446
Scientific Exchange (make on demand): M-321722
Asinex: BAS01047096
Chemstep: 10646...20 total

ref: mol2, SDF, SMILES, flexibase
1.33,3,-42.9,1,5,-1, 199.193, 1
ref: mol2, SDF, SMILES, flexibase
1.33,3,-43.15,1,5,-1, 199.193, 1
mid: mol2, SDF, SMILES, flexibase
1.33,2.4,-9.49,2,5,0, 200.201, 1
mid: mol2, SDF, SMILES, flexibase
1.33,2.41,-9.82,2,5,0, 200.201, 1
mid: mol2, SDF, SMILES, flexibase
1.33,3.04,-111.7,0,5,-2, 198.185, 1
mid: mol2, SDF, SMILES, flexibase
1.33,1.98,-9.69,2,5,0, 200.201, 1
mid: mol2, SDF, SMILES, flexibase
1.33,2.57,-106.61,0,5,-2, 198.185, 1
mid: mol2, SDF, SMILES, flexibase
1.33,1.99,-10.09,2,5,0, 200.201, 1
mid: mol2, SDF, SMILES, flexibase
1.33,2.56,-106.6,0,5,-2, 198.185, 1
mid: mol2, SDF, SMILES, flexibase
1.33,3.03,-111.35,0,5,-2, 198.185, 1
hi: mol2, SDF, SMILES, flexibase
1.49,3.82,-29.46,3,5,1, 201.209, 1
hi: mol2, SDF, SMILES, flexibase
1.49,3.82,-29.72,3,5,1, 201.209, 1
45238521
 
#84

Chemstep: 10639
ref: mol2, SDF, SMILES, flexibase
2.32,6.34,-11.5,0,3,0, 195.225, 0
lo: mol2, SDF, SMILES, flexibase
2.32,6.78,-27.29,1,3,1, 196.233, 0
95921930
 
#85

Chemstep: 10608
ref: mol2, SDF, SMILES, flexibase
2.54,1.7,-95.48,2,3,2, 178.235, 2
95921929
 
#86

Chemstep: 10608
ref: mol2, SDF, SMILES, flexibase
2.54,1.7,-95.47,2,3,2, 178.235, 2
45238494
 
#87

Chemstep: 10607, 12150
PubChem: 45078309
ref: mol2, SDF, SMILES, flexibase
0.62,3.13,-10.16,3,4,0, 184.202, 1
45238479
 
#88

Chemstep: 10592, 11379
Sphinx Make-on-demand: BIM-4-0683, BIM-4-0628
PubChem: 45077912
ref: mol2, SDF, SMILES, flexibase
1.65,4.62,-43.01,1,6,1, 180.143, 1
mid: mol2, SDF, SMILES, flexibase
1.09,4.79,-11.09,1,6,0, 179.135, 1
45238476
 
#89

Chemstep: 10581
ref: mol2, SDF, SMILES, flexibase
-0.83,2.18,-47.34,1,4,-1, 195.138, 2
mid: mol2, SDF, SMILES, flexibase
-0.83,2.67,-28.75,2,4,0, 196.146, 2
45238465
 
#90

Chemstep: 10571
ref: mol2, SDF, SMILES, flexibase
1.59,9.13,-16.86,0,4,0, 196.213, 0
13686513
 
#91

eMolecules: 4445026
AKOS: AKOS005521887
Chemstep: 10565
IBScreen: STOCK2S-49745
Mcule: MCULE-4969416664...14 total

ref: mol2, SDF, SMILES, flexibase
2.17,3.45,-11.85,1,5,0, 189.222, 2
lo: mol2, SDF, SMILES, flexibase
2.17,4.01,-42.47,2,5,1, 190.23, 2
lo: mol2, SDF, SMILES, flexibase
2.17,3.86,-40.62,2,5,1, 190.23, 2
lo: mol2, SDF, SMILES, flexibase
2.17,3.4,-10.05,1,5,0, 189.222, 2
lo: mol2, SDF, SMILES, flexibase
2.17,3.94,-38.58,2,5,1, 190.23, 2
lo: mol2, SDF, SMILES, flexibase
2.17,3.51,-10.64,1,5,0, 189.222, 2
45238460
 
#92

Chembo Pharma: KB-302138
Chemstep: 10564
ref: mol2, SDF, SMILES, flexibase
1.21,6.21,-39.07,3,5,1, 191.214, 2
hi: mol2, SDF, SMILES, flexibase
1.21,6.85,-19.19,2,5,0, 190.206, 2
lo: mol2, SDF, SMILES, flexibase
1.21,6.62,-100.25,4,5,2, 192.222, 2
45238455
 
#93

Chemstep: 11212, 10558
FineTech: FT-0620551
PubChem: 45078106, 45077902
ref: mol2, SDF, SMILES, flexibase
1.77,2.34,-28.25,1,4,1, 165.172, 1
mid: mol2, SDF, SMILES, flexibase
1.21,2.97,-34.26,2,4,1, 165.172, 1
hi: mol2, SDF, SMILES, flexibase
1.21,3.5,-44.34,0,4,-1, 163.156, 1
45238452
 
#94

Chemstep: 10555
ref: mol2, SDF, SMILES, flexibase
1.46,4.88,-11.88,1,5,0, 181.126, 1
hi: mol2, SDF, SMILES, flexibase
1.46,4.4,-26.53,0,5,-1, 180.118, 1
34638693
 
#95

Anward: ANW-72682
Ark Pharm Building Blocks: AK-30377
BePharm Building Blocks: B58647
Bide Pharmatech BB: BD58647
Chembo Pharma: KB-22447...15 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.29,-8.17,1,3,0, 177.594, 0
ref: mol2, SDF, SMILES, flexibase
2.16,4.29,-6.84,1,3,0, 177.594, 0
hi: mol2, SDF, SMILES, flexibase
2.16,3.85,-29.97,0,3,-1, 176.586, 0
hi: mol2, SDF, SMILES, flexibase
2.16,3.84,-29.9,0,3,-1, 176.586, 0
45238427
 
#96

Chembo Pharma: KB-154545
Chemstep: 10525
ref: mol2, SDF, SMILES, flexibase
1.50,-0.27,-49.11,2,4,-1, 183.574, 0
mid: mol2, SDF, SMILES, flexibase
1.50,-1.03,-10.68,3,4,0, 184.582, 0
lo: mol2, SDF, SMILES, flexibase
1.50,0.97,-70.45,2,4,-1, 183.574, 0
45238422
 
#97

Chemstep: 10522
ref: mol2, SDF, SMILES, flexibase
2.11,4.28,-11.42,3,3,0, 197.241, 0
mid: mol2, SDF, SMILES, flexibase
2.11,4.23,-9.91,3,3,0, 197.241, 0
lo: mol2, SDF, SMILES, flexibase
2.11,4.7,-29.4,4,3,1, 198.249, 0
90714467
 
#98

AK Scientific: 5788AB
Ark Pharm Building Blocks: AK-43614
Chembo Pharma: KB-154399
Chemstep: 10516
Tractus: TRA0060285...5 total

45238411
 
#99

Chemstep: 10512
SureChEMBL: SCHEMBL5727102
ref: mol2, SDF, SMILES, flexibase
2.15,6.47,-10.25,1,3,0, 200.241, 1
lo: mol2, SDF, SMILES, flexibase
2.15,6.96,-44.23,2,3,1, 201.249, 1
lo: mol2, SDF, SMILES, flexibase
2.15,6.48,-12.15,1,3,0, 200.241, 1
45238410
 
#100

Chemstep: 10512
SureChEMBL: SCHEMBL5727102
ref: mol2, SDF, SMILES, flexibase
2.15,6.47,-10.24,1,3,0, 200.241, 1
lo: mol2, SDF, SMILES, flexibase
2.15,6.96,-44.26,2,3,1, 201.249, 1
lo: mol2, SDF, SMILES, flexibase
2.15,6.48,-12.14,1,3,0, 200.241, 1

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 = 787 ) limit 0,100

Smiles were