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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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95775955
 
#1

Synblock: MB14217
ref: mol2, SDF, SMILES, flexibase
2.53,5.06,-3.19,0,3,0, 231.093, 2
95775953
 
#2

Synblock: MB14211
ref: mol2, SDF, SMILES, flexibase
2.08,3.37,-3.42,0,3,0, 217.066, 2
95775951
 
#3

Synblock: MB14207
ref: mol2, SDF, SMILES, flexibase
1.72,2.44,-3.44,0,3,0, 203.039, 2
95775949
 
#4

Synblock: MB14204
ref: mol2, SDF, SMILES, flexibase
1.71,3.39,-3.61,0,3,0, 215.05, 2
95775947
 
#5

Synblock: MB14202
ref: mol2, SDF, SMILES, flexibase
1.79,5.82,-5.1,0,3,0, 228.093, 1
95775945
 
#6

Synblock: MB14198
ref: mol2, SDF, SMILES, flexibase
0.68,4.29,-47.32,2,4,1, 244.116, 1
hi: mol2, SDF, SMILES, flexibase
0.68,2.99,-4.83,1,4,0, 243.108, 1
95775943
 
#7

Ark Pharm Building Blocks: AK143712
Fluorochem: 362475
Synblock: MB14195
Bide Pharmatech BB (Depleted): BD264806
ref: mol2, SDF, SMILES, flexibase
1.88,4.18,-3.52,0,2,0, 205.08, 1
95775941
 
#8

Synblock: MB14187
ref: mol2, SDF, SMILES, flexibase
1.69,1.59,-6.74,0,3,0, 215.05, 2
95775940
 
#9

Synblock: MB14181
SureChEMBL: SCHEMBL573580
ref: mol2, SDF, SMILES, flexibase
1.20,5.22,-43.41,2,4,1, 244.116, 1
hi: mol2, SDF, SMILES, flexibase
1.20,3.92,-5.57,1,4,0, 243.108, 1
95775938
 
#10

Synblock: MB14175
ref: mol2, SDF, SMILES, flexibase
2.94,5.49,-4.38,0,3,0, 265.11, 3
95775937
 
#11

Synblock: MB14171
ref: mol2, SDF, SMILES, flexibase
2.92,4.83,-5.86,0,3,0, 265.11, 3
95775934
 
#12

Synblock: MB14158
SureChEMBL: SCHEMBL2243307
ref: mol2, SDF, SMILES, flexibase
1.32,1.26,-4.01,0,2,0, 132.525, 0
95775932
 
#13

Synblock: MB14155
ref: mol2, SDF, SMILES, flexibase
-0.22,-0.86,-8.99,2,4,0, 202.011, 1
95775930
 
#14

Ark Pharm Building Blocks: AK145988
Synblock: MB14149
ref: mol2, SDF, SMILES, flexibase
0.20,-0.79,-6.62,2,4,0, 202.011, 1
95775928
 
#15

Synblock: MB14146
ref: mol2, SDF, SMILES, flexibase
1.15,1.17,-6.82,1,3,0, 188.028, 1
95775927
 
#16

Synblock: MB14143
ref: mol2, SDF, SMILES, flexibase
1.12,2.04,-6.58,1,3,0, 188.028, 1
95775925
 
#17

Synblock: MB14140
ref: mol2, SDF, SMILES, flexibase
1.51,2.83,-5.93,1,3,0, 214.066, 2
95775923
 
#18

Synblock: MB14137
ref: mol2, SDF, SMILES, flexibase
1.49,3.7,-6.02,1,3,0, 214.066, 2
95775921
 
#19

Synblock: MB14134
SureChEMBL: SCHEMBL1850545
ref: mol2, SDF, SMILES, flexibase
1.39,2.74,-6.64,0,3,0, 202.055, 1
95775919
 
#20

Synblock: MB14124
ref: mol2, SDF, SMILES, flexibase
2.61,3.61,-5.05,0,2,0, 214.062, 2
95775918
 
#21

Ark Pharm Building Blocks: AK-78261
Enamine Building Blocks: EN300-172099
Synblock: MB14104
SureChEMBL: SCHEMBL9572166
ref: mol2, SDF, SMILES, flexibase
2.94,3.41,-2.17,0,1,0, 232.024, 1
95775916
 
#22

Synblock: MB14101
ref: mol2, SDF, SMILES, flexibase
1.79,4.08,-5.88,0,3,0, 228.093, 1
95775914
 
#23

Synblock: MB14098
Debye Scientific BB (Depleted): DB-061048
SureChEMBL: SCHEMBL423474
ref: mol2, SDF, SMILES, flexibase
0.76,-1.25,-11.87,0,4,0, 237.078, 1
95775912
 
#24

Synblock: MB14095
ref: mol2, SDF, SMILES, flexibase
2.51,4.38,-4.46,0,3,0, 231.093, 2
95775910
 
#25

Synblock: MB14094
ref: mol2, SDF, SMILES, flexibase
2.06,2.7,-4.96,0,3,0, 217.066, 2
95775908
 
#26

Synblock: MB14090
ref: mol2, SDF, SMILES, flexibase
2.09,2.13,-5.42,0,1,0, 182.017, 0
95775906
 
#27

Synblock: MB14088
ref: mol2, SDF, SMILES, flexibase
1.70,1.78,-5.09,0,3,0, 203.039, 2
95775905
 
#28

Synblock: MB14086
ref: mol2, SDF, SMILES, flexibase
1.69,2.73,-5.23,0,3,0, 215.05, 2
95775903
 
#29

Synblock: MB14073
ref: mol2, SDF, SMILES, flexibase
1.86,3.5,-5.13,0,2,0, 205.08, 1
95775901
 
#30

Synblock: MB14072
ref: mol2, SDF, SMILES, flexibase
1.26,5.85,-43.48,1,4,1, 258.143, 1
mid: mol2, SDF, SMILES, flexibase
1.26,3.49,-6.51,0,4,0, 257.135, 1
95775899
 
#31

Synblock: MB14068
ref: mol2, SDF, SMILES, flexibase
2.92,3.69,-8.02,0,3,0, 265.11, 3
32299851
 
#32

Synblock: MB14057
ref: mol2, SDF, SMILES, flexibase
2.76,5.38,-8.24,1,3,0, 205.648, 2
lo: mol2, SDF, SMILES, flexibase
2.76,5.83,-32.62,2,3,1, 206.656, 2
32299850
 
#33

Synblock: MB14051
ref: mol2, SDF, SMILES, flexibase
3.15,6.83,-9.98,1,3,0, 205.648, 2
lo: mol2, SDF, SMILES, flexibase
3.15,6.8,-31.26,2,3,1, 206.656, 2
95775895
 
#34

Synblock: MB14047
ref: mol2, SDF, SMILES, flexibase
2.50,3.81,-5.89,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
2.50,4.27,-38.8,2,3,1, 251.107, 2
95775893
 
#35

Synblock: MB14046
ref: mol2, SDF, SMILES, flexibase
2.72,3.81,-5.82,1,3,0, 250.099, 2
95775891
 
#36

Synblock: MB14045
ref: mol2, SDF, SMILES, flexibase
2.89,5.47,-6.41,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
2.89,5.08,-36.07,2,3,1, 251.107, 2
95775890
 
#37

Synblock: MB14044
ref: mol2, SDF, SMILES, flexibase
3.79,5.57,-4.36,1,2,0, 249.111, 2
95775888
 
#38

Synblock: MB14040
ref: mol2, SDF, SMILES, flexibase
2.72,3.81,-6.05,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
2.72,4.28,-38.82,2,3,1, 251.107, 2
95775886
 
#39

Synblock: MB14038
ref: mol2, SDF, SMILES, flexibase
2.94,3.8,-5.88,1,3,0, 250.099, 2
95775884
 
#40

Synblock: MB14034
ref: mol2, SDF, SMILES, flexibase
3.11,5.47,-6.44,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
3.11,5.08,-36.06,2,3,1, 251.107, 2
95775883
 
#41

Synblock: MB14031
ref: mol2, SDF, SMILES, flexibase
4.01,5.56,-4.33,1,2,0, 249.111, 2
95775881
 
#42

Synblock: MB14027
ref: mol2, SDF, SMILES, flexibase
2.52,3.92,-5.19,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
2.52,4.38,-35.72,2,3,1, 251.107, 2
95775879
 
#43

Synblock: MB14025
ref: mol2, SDF, SMILES, flexibase
2.74,3.91,-4.95,1,3,0, 250.099, 2
95775877
 
#44

Synblock: MB14022
ref: mol2, SDF, SMILES, flexibase
2.91,5.55,-6.02,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
2.91,5.17,-33.48,2,3,1, 251.107, 2
95775875
 
#45

Synblock: MB14019
ref: mol2, SDF, SMILES, flexibase
2.89,5.47,-8.06,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
2.89,5.92,-32.54,2,3,1, 251.107, 2
95775872
 
#46

Synblock: MB14014
SureChEMBL: SCHEMBL15679551
ref: mol2, SDF, SMILES, flexibase
3.28,6.91,-9.67,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
3.28,6.89,-31.25,2,3,1, 251.107, 2
95775869
 
#47

Synblock: MB14013
ref: mol2, SDF, SMILES, flexibase
2.72,5.58,-6.33,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
2.72,6.03,-33.24,2,3,1, 251.107, 2
95775867
 
#48

Synblock: MB14009
SureChEMBL: SCHEMBL1104644
ref: mol2, SDF, SMILES, flexibase
3.11,7.01,-7.91,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
3.11,7,-31.31,2,3,1, 251.107, 2
95775864
 
#49

Synblock: MB14007
ref: mol2, SDF, SMILES, flexibase
2.50,5.58,-5.81,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
2.50,6.04,-33.18,2,3,1, 251.107, 2
95775862
 
#50

Synblock: MB14005
ref: mol2, SDF, SMILES, flexibase
2.72,5.57,-5.6,1,3,0, 250.099, 2
95775860
 
#51

Enamine Building Blocks: EN300-170186
Synblock: MB14004
ref: mol2, SDF, SMILES, flexibase
2.89,7.03,-7.16,1,3,0, 250.099, 2
lo: mol2, SDF, SMILES, flexibase
2.89,7.02,-30.68,2,3,1, 251.107, 2
95775858
 
#52

Synblock: MB14002
ref: mol2, SDF, SMILES, flexibase
3.79,7.27,-4.47,1,2,0, 249.111, 2
95775857
 
#53

Synblock: MB13985
ref: mol2, SDF, SMILES, flexibase
0.63,-1.15,-13.52,0,4,0, 192.627, 1
95775855
 
#54

Synblock: MB13982
ref: mol2, SDF, SMILES, flexibase
1.58,1.71,-6.76,0,3,0, 170.599, 2
95775853
 
#55

Synblock: MB13968
SureChEMBL: SCHEMBL1332059, SCHEMBL10204218
ref: mol2, SDF, SMILES, flexibase
2.98,3.61,-4.9,0,2,0, 170.643, 1
95775851
 
#56

AK Scientific: Y1716
Synblock: MB13953
ref: mol2, SDF, SMILES, flexibase
0.91,0.75,-9.35,0,3,0, 236.09, 1
95775850
 
#57

Synblock: MB13952
SureChEMBL: SCHEMBL13491148
ref: mol2, SDF, SMILES, flexibase
1.27,0.92,-12.33,0,3,0, 236.09, 1
95775848
 
#58

Synblock: MB13950
ref: mol2, SDF, SMILES, flexibase
1.11,0.67,-10.95,0,3,0, 236.09, 1
95775846
 
#59

Synblock: MB13949
SureChEMBL: SCHEMBL5700058
ref: mol2, SDF, SMILES, flexibase
0.91,0.74,-9.84,0,3,0, 236.09, 1
95775844
 
#60

Synblock: MB13948
ref: mol2, SDF, SMILES, flexibase
-1.71,-1.83,-46.99,0,5,-1, 193.591, 1
95775843
 
#61

Synblock: MB13944
ref: mol2, SDF, SMILES, flexibase
-1.69,-1.1,-37.79,0,5,-1, 193.591, 1
95775842
 
#62

Synblock: MB13941
ref: mol2, SDF, SMILES, flexibase
0.66,-1.82,-10.28,2,4,0, 237.078, 1
95775841
 
#63

Synblock: MB13927
ref: mol2, SDF, SMILES, flexibase
2.35,2.51,-2.77,0,2,0, 220.091, 2
95775840
 
#64

Synblock: MB13925
ref: mol2, SDF, SMILES, flexibase
2.35,1.92,-6.9,0,2,0, 220.091, 2
95775838
 
#65

Synblock: MB13923
ref: mol2, SDF, SMILES, flexibase
1.21,4.37,-13.45,0,4,0, 211.652, 1
95775836
 
#66

Synblock: MB13921
SureChEMBL: SCHEMBL5643304
ref: mol2, SDF, SMILES, flexibase
0.91,4.25,-8.2,0,4,0, 197.625, 1
95775834
 
#67

Synblock: MB13918
ref: mol2, SDF, SMILES, flexibase
1.97,2.17,-6.07,0,3,0, 170.599, 2
95775832
 
#68

Synblock: MB13907
ref: mol2, SDF, SMILES, flexibase
0.95,3.65,-10.61,0,4,0, 256.103, 1
95775830
 
#69

Synblock: MB13904
ref: mol2, SDF, SMILES, flexibase
1.24,3.28,-5.94,0,4,0, 256.103, 1
95775828
 
#70

Synblock: MB13903
ref: mol2, SDF, SMILES, flexibase
2.00,2.68,-4.71,1,4,0, 270.13, 2
95775827
 
#71

Synblock: MB13901
ref: mol2, SDF, SMILES, flexibase
2.00,2.69,-5.28,1,4,0, 270.13, 2
95775825
 
#72

Synblock: MB13900
ref: mol2, SDF, SMILES, flexibase
2.54,3.9,-3.97,1,3,0, 242.12, 2
95775823
 
#73

Synblock: MB13898
ref: mol2, SDF, SMILES, flexibase
2.27,1.73,-3.58,0,3,0, 215.05, 2
95775821
 
#74

Synblock: MB13895
ref: mol2, SDF, SMILES, flexibase
2.13,1.66,-3.44,0,3,0, 170.599, 2
95775819
 
#75

Synblock: MB13893
SureChEMBL: SCHEMBL11684112
ref: mol2, SDF, SMILES, flexibase
3.16,4.99,-3.6,0,2,0, 196.681, 1
95775817
 
#76

Synblock: MB13892
SureChEMBL: SCHEMBL11678522
ref: mol2, SDF, SMILES, flexibase
2.65,4.37,-3.58,0,2,0, 182.654, 1
95775815
 
#77

Synblock: MB13890
SureChEMBL: SCHEMBL10075615
ref: mol2, SDF, SMILES, flexibase
1.48,5.17,-8.23,0,3,0, 255.115, 1
95775814
 
#78

Synblock: MB13883
SureChEMBL: SCHEMBL3377698
ref: mol2, SDF, SMILES, flexibase
1.18,4.44,-9.41,0,3,0, 241.088, 1
95775812
 
#79

Synblock: MB13878
ref: mol2, SDF, SMILES, flexibase
1.24,3.62,-7.71,0,4,0, 284.157, 1
mid: mol2, SDF, SMILES, flexibase
1.24,5.97,-41.77,1,4,1, 285.165, 1
95775810
 
#80

Synblock: MB13875
SureChEMBL: SCHEMBL7159
ref: mol2, SDF, SMILES, flexibase
1.25,3.5,-6.9,0,4,0, 284.157, 1
mid: mol2, SDF, SMILES, flexibase
1.25,5.85,-38.1,1,4,1, 285.165, 1
95775808
 
#81

Molport BB: MolPort-038-549-983
Synblock: MB13870
SureChEMBL: SCHEMBL3295635
ref: mol2, SDF, SMILES, flexibase
0.61,2.71,-9.8,0,4,0, 271.114, 1
95775806
 
#82

Molport BB: MolPort-038-549-982
Synblock: MB13868
SureChEMBL: SCHEMBL1554586
ref: mol2, SDF, SMILES, flexibase
1.20,3.59,-7.38,0,4,0, 271.114, 1
95775804
 
#83

Synblock: MB13862
ref: mol2, SDF, SMILES, flexibase
2.26,6.12,-7.64,0,3,0, 269.142, 1
95775801
 
#84

Synblock: MB13859
ref: mol2, SDF, SMILES, flexibase
1.67,5.16,-9.38,0,3,0, 269.142, 1
95775799
 
#85

Synblock: MB13855
SureChEMBL: SCHEMBL2532948
ref: mol2, SDF, SMILES, flexibase
2.26,6,-6.72,0,3,0, 269.142, 1
95775797
 
#86

Synblock: MB13850
SureChEMBL: SCHEMBL5237
ref: mol2, SDF, SMILES, flexibase
1.76,5.16,-7.6,0,3,0, 255.115, 1
95775795
 
#87

Synblock: MB13843
ref: mol2, SDF, SMILES, flexibase
2.51,4.67,-6.77,1,3,0, 269.142, 2
95775794
 
#88

Synblock: MB13839
ref: mol2, SDF, SMILES, flexibase
2.39,4.52,-6.89,1,3,0, 269.142, 2
95775792
 
#89

Synblock: MB13835
ref: mol2, SDF, SMILES, flexibase
2.51,4.56,-6.24,1,3,0, 269.142, 2
95775789
 
#90

Synblock: MB13829
SureChEMBL: SCHEMBL14809955
ref: mol2, SDF, SMILES, flexibase
1.11,1.65,-7.41,1,3,0, 215.05, 1
95775788
 
#91

Enamine Building Blocks: EN300-162647
Synblock: MB13827
ref: mol2, SDF, SMILES, flexibase
2.92,5.76,-5.14,1,2,0, 218.687, 3
lo: mol2, SDF, SMILES, flexibase
2.92,6.2,-29.78,2,2,1, 219.695, 3
95775785
 
#92

Synblock: MB13824
Synchem UG and Co KG: cdp112fp36
SureChEMBL: SCHEMBL3164551
ref: mol2, SDF, SMILES, flexibase
2.70,7.6,-6.76,0,5,0, 297.786, 3
lo: mol2, SDF, SMILES, flexibase
2.70,7.92,-36.26,1,5,1, 298.794, 3
95775782
 
#93

Synblock: MB13816
ref: mol2, SDF, SMILES, flexibase
3.75,5.01,-2.79,1,2,0, 241.132, 2
95775779
 
#94

Enamine Building Blocks: EN300-161978
Synblock: MB13810
UORSY BB Make-on-demand: BBV-46405928
ref: mol2, SDF, SMILES, flexibase
3.59,4.84,-4.38,1,2,0, 196.681, 2
lo: mol2, SDF, SMILES, flexibase
3.59,5.28,-27.56,2,2,1, 197.689, 2
95775777
 
#95

Synblock: MB13807
SureChEMBL: SCHEMBL3567993
ref: mol2, SDF, SMILES, flexibase
3.94,4.91,-4.36,1,2,0, 241.132, 2
95775774
 
#96

Synblock: MB13801
ref: mol2, SDF, SMILES, flexibase
1.89,3.63,-4.6,1,2,0, 168.627, 2
lo: mol2, SDF, SMILES, flexibase
1.89,4.06,-27.72,2,2,1, 169.635, 2
95775773
 
#97

Synblock: MB13798
SureChEMBL: SCHEMBL1670854
ref: mol2, SDF, SMILES, flexibase
2.24,3.69,-4.61,1,2,0, 213.078, 2
95775770
 
#98

Synblock: MB13784
SureChEMBL: SCHEMBL12500664
ref: mol2, SDF, SMILES, flexibase
2.24,4.29,-3.13,0,2,0, 214.062, 2
95775767
 
#99

Synblock: MB13772
SureChEMBL: SCHEMBL14636458
ref: mol2, SDF, SMILES, flexibase
2.09,4.14,-4.5,0,2,0, 169.611, 2
95775766
 
#100

Synblock: MB13769
ref: mol2, SDF, SMILES, flexibase
3.06,4.3,-3.05,0,2,0, 230.105, 2

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 = 773 ) limit 0,100

Smiles were