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718302
 
#1

eMolecules: 6777261
Molport: MolPort-002-711-605
AKOS: AKOS001749975
BioBlocks: A2657/0113245
ChemDiv: 8012-3245...14 total

ref: mol2, SDF, SMILES, flexibase
1.11,0.9,-20.62,2,9,0, 409.398, 3

Similar to: 3616739,
3616739
 
#2

eMolecules: 6777261
Molport: MolPort-002-711-605
AKOS: AKOS001749975
BioBlocks: A2657/0113245
ChemDiv: 8012-3245...14 total

ref: mol2, SDF, SMILES, flexibase
1.11,0.82,-20.48,2,9,0, 409.398, 3

Similar to: 718302,
8855023
 
#3

eMolecules: 6777259
Molport: MolPort-002-711-604
AKOS: AKOS001749881
BioBlocks: A2657/0113244
ChemDiv: 8012-3244...13 total

ref: mol2, SDF, SMILES, flexibase
2.79,3.83,-16.89,3,10,0, 462.462, 6
lo: mol2, SDF, SMILES, flexibase
2.79,4.13,-71.25,4,10,1, 463.47, 6

Similar to: 8855022,
8855022
 
#4

eMolecules: 6777259
Molport: MolPort-002-711-604
AKOS: AKOS001749881
BioBlocks: A2657/0113244
ChemDiv: 8012-3244...13 total

ref: mol2, SDF, SMILES, flexibase
2.79,3.89,-16.71,3,10,0, 462.462, 6
lo: mol2, SDF, SMILES, flexibase
2.79,4.15,-69.92,4,10,1, 463.47, 6

Similar to: 8855023,
759061
 
#5

eMolecules: 6777257
Molport: MolPort-002-711-603
AKOS: AKOS001749792
BioBlocks: A2657/0113243
ChemDiv: 8012-3243...12 total

ref: mol2, SDF, SMILES, flexibase
1.86,3.48,-11.82,3,6,0, 351.316, 2
lo: mol2, SDF, SMILES, flexibase
1.86,3.75,-63.29,4,6,1, 352.324, 2
759062
 
#6

eMolecules: 6777257
Molport: MolPort-002-711-603
AKOS: AKOS001749792
BioBlocks: A2657/0113243
ChemDiv: 8012-3243...12 total

ref: mol2, SDF, SMILES, flexibase
1.86,3.53,-11.65,3,6,0, 351.316, 2
lo: mol2, SDF, SMILES, flexibase
1.86,3.74,-67.03,4,6,1, 352.324, 2
1068777
 
#7

eMolecules: 6777255
Molport: MolPort-002-711-602
AKOS: AKOS001749791
BioBlocks: A2657/0113242
ChemDiv: 8012-3242...12 total

ref: mol2, SDF, SMILES, flexibase
2.44,2.36,-13.08,4,8,0, 404.426, 5
lo: mol2, SDF, SMILES, flexibase
2.44,2.69,-63.05,5,8,1, 405.434, 5
1068780
 
#8

eMolecules: 6777255
Molport: MolPort-002-711-602
AKOS: AKOS001749791
BioBlocks: A2657/0113242
ChemDiv: 8012-3242...12 total

ref: mol2, SDF, SMILES, flexibase
2.44,2.43,-13.29,4,8,0, 404.426, 5
lo: mol2, SDF, SMILES, flexibase
2.44,2.68,-63.18,5,8,1, 405.434, 5
4168824
 
#9

eMolecules: 6777253
Molport: MolPort-002-711-601
AKOS: AKOS001749693
BioBlocks: A2657/0113241
ChemDiv: 8012-3241...15 total

ref: mol2, SDF, SMILES, flexibase
3.03,5.12,-11.82,3,7,0, 406.417, 5
lo: mol2, SDF, SMILES, flexibase
3.03,5.59,-61.84,4,7,1, 407.425, 5

Similar to: 21456989, 21456991, 4168823,
4168823
 
#10

eMolecules: 6777253
Molport: MolPort-002-711-601
AKOS: AKOS001749693
BioBlocks: A2657/0113241
ChemDiv: 8012-3241...15 total

ref: mol2, SDF, SMILES, flexibase
3.03,5.28,-12.1,3,7,0, 406.417, 5
lo: mol2, SDF, SMILES, flexibase
3.03,5.58,-61.84,4,7,1, 407.425, 5

Similar to: 4168824, 21456989, 21456991,
4003951
 
#11

eMolecules: 2582758
Molport: MolPort-002-711-600
BioBlocks: A2657/0113240
ChemDiv: 8012-3240
Chemical Block: A2657/0113240...14 total

ref: mol2, SDF, SMILES, flexibase
2.81,3.87,-14.57,3,9,0, 432.436, 5
lo: mol2, SDF, SMILES, flexibase
2.81,4.16,-66.97,4,9,1, 433.444, 5

Similar to: 4167660, 4167662, 8855024, 8855025, ... 5 in total.
4003950
 
#12

eMolecules: 2582758
Molport: MolPort-002-711-600
BioBlocks: A2657/0113240
ChemDiv: 8012-3240
Chemical Block: A2657/0113240...14 total

ref: mol2, SDF, SMILES, flexibase
2.81,3.95,-14.51,3,9,0, 432.436, 5
lo: mol2, SDF, SMILES, flexibase
2.81,3.69,-57.03,4,9,1, 433.444, 5

Similar to: 4003951, 4167660, 4167662, 8855024, 8855025, ... 5 in total.
718595
 
#13

eMolecules: 2582756
Molport: MolPort-002-711-599
AKOS: AKOS001749692
BioBlocks: A2657/0113239
ChemDiv: 8012-3239...13 total

ref: mol2, SDF, SMILES, flexibase
3.10,3.96,-10.03,3,7,0, 392.39, 4
lo: mol2, SDF, SMILES, flexibase
3.10,4.21,-56.11,4,7,1, 393.398, 4

Similar to: 718596,
718596
 
#14

eMolecules: 2582756
Molport: MolPort-002-711-599
AKOS: AKOS001749692
BioBlocks: A2657/0113239
ChemDiv: 8012-3239...13 total

ref: mol2, SDF, SMILES, flexibase
3.10,3.89,-10.06,3,7,0, 392.39, 4
lo: mol2, SDF, SMILES, flexibase
3.10,4.17,-55.98,4,7,1, 393.398, 4

Similar to: 718595,
8565981
 
#15

eMolecules: 1492667
Molport: MolPort-002-008-321
AKOS: AKOS000672562
Asinex: BAS07092463
BioBlocks: A2656/0113238...15 total

ref: mol2, SDF, SMILES, flexibase
2.31,3.47,-13.9,3,8,0, 410.455, 5
lo: mol2, SDF, SMILES, flexibase
2.31,3.76,-64.04,4,8,1, 411.463, 5

Similar to: 8566752, 8566760, 4165102, 4165138, 8565975, ... 7 in total.
8565975
 
#16

eMolecules: 1492667
Molport: MolPort-002-008-321
AKOS: AKOS000672562
Asinex: BAS07092463
BioBlocks: A2656/0113238...15 total

ref: mol2, SDF, SMILES, flexibase
2.31,3.07,-13.31,3,8,0, 410.455, 5
lo: mol2, SDF, SMILES, flexibase
2.31,3.35,-62.65,4,8,1, 411.463, 5

Similar to: 8565981, 8566752, 8566760,
2190729
 
#17

eMolecules: 6777247
Molport: MolPort-002-711-596
AKOS: AKOS001749402
BioBlocks: A2656/0113235
ChemDiv: 8012-3235...14 total

ref: mol2, SDF, SMILES, flexibase
4.84,8.58,-9.18,2,6,0, 450.335, 9
2190728
 
#18

eMolecules: 6777247
Molport: MolPort-002-711-596
AKOS: AKOS001749402
BioBlocks: A2656/0113235
ChemDiv: 8012-3235...14 total

ref: mol2, SDF, SMILES, flexibase
4.84,8.47,-11.75,2,6,0, 450.335, 9
90510
 
#19

eMolecules: 4366218
Molport: MolPort-002-711-595
AKOS: AKOS005616474
BioBlocks: A2656/0113232
Chemical Block: A2656/0113232...15 total

ref: mol2, SDF, SMILES, flexibase
4.68,1.74,-4.99,0,2,0, 291.561, 1
718866
 
#20

eMolecules: 6777245
Molport: MolPort-002-711-594
AKOS: AKOS001749300
BioBlocks: A2656/0113228
ChemDiv: 8012-3228...13 total

ref: mol2, SDF, SMILES, flexibase
5.04,-2.82,-6.31,2,7,0, 357.748, 7
718865
 
#21

eMolecules: 6777243
Molport: MolPort-002-711-593
BioBlocks: A2656/0113227
ChemDiv: 8012-3227
Chemical Block: A2656/0113227...12 total

ref: mol2, SDF, SMILES, flexibase
5.95,-3.12,-6.89,1,7,0, 385.802, 6
3616721
 
#22

eMolecules: 6777241
Molport: MolPort-002-711-592
AKOS: AKOS001749299
BioBlocks: A2656/0113226
ChemDiv: 8012-3226...13 total

ref: mol2, SDF, SMILES, flexibase
4.88,-4.28,-7.86,1,8,0, 387.774, 6
19847946
 
#23

eMolecules: 6777239
Molport: MolPort-002-711-591
AKOS: AKOS005594888
BioBlocks: A2656/0113225
ChemDiv: 8012-3225...19 total

ref: mol2, SDF, SMILES, flexibase
4.24,6.18,-10,2,4,0, 347.842, 5

Similar to: 33583273, 33583275, 33685394, 33685395, 33688535, ... 119 in total.
19847944
 
#24

eMolecules: 6777239
Molport: MolPort-002-711-591
AKOS: AKOS005594888
BioBlocks: A2656/0113225
ChemDiv: 8012-3225...19 total

ref: mol2, SDF, SMILES, flexibase
4.24,5.7,-11.77,2,4,0, 347.842, 5

Similar to: 19847946, 33583273, 33583275, 33685394, 33685395, ... 121 in total.
20478025
 
#25

eMolecules: 3888826
Molport: MolPort-002-711-590
BioBlocks: A2656/0113224
ChemDiv: 8012-3224
Chemical Block: A2656/0113224...20 total

ref: mol2, SDF, SMILES, flexibase
4.03,8.6,-10.22,1,5,0, 436.346, 7

Similar to: 33670948, 33670949, 33692024, 33692025, 33704935, ... 27 in total.
20478023
 
#26

eMolecules: 3888826
Molport: MolPort-002-711-590
BioBlocks: A2656/0113224
ChemDiv: 8012-3224
Chemical Block: A2656/0113224...20 total

ref: mol2, SDF, SMILES, flexibase
4.03,7.47,-10.63,1,5,0, 436.346, 7

Similar to: 33670948, 33670949, 33692024, 33692025, 33704935, ... 27 in total.
1068459
 
#27

eMolecules: 6777229
Molport: MolPort-002-711-586
AKOS: AKOS001749010
BioBlocks: A2656/0113216
ChemDiv: 8012-3216...13 total

ref: mol2, SDF, SMILES, flexibase
3.86,-0.21,-17.35,1,8,0, 421.482, 7

Similar to: 10007456, 39970321,
3616710
 
#28

eMolecules: 6777225
Molport: MolPort-002-711-584
AKOS: AKOS001750452
BioBlocks: A2656/0113214
ChemDiv: 8012-3214...12 total

ref: mol2, SDF, SMILES, flexibase
6.26,15.09,-13.62,2,5,0, 506.646, 8
3616706
 
#29

eMolecules: 6777225
Molport: MolPort-002-711-584
AKOS: AKOS001750452
BioBlocks: A2656/0113214
ChemDiv: 8012-3214...12 total

ref: mol2, SDF, SMILES, flexibase
6.26,15.65,-15.54,2,5,0, 506.646, 8
3616703
 
#30

eMolecules: 6777223
Molport: MolPort-002-711-583
AKOS: AKOS001750355
BioBlocks: A2656/0113213
ChemDiv: 8012-3213...14 total

ref: mol2, SDF, SMILES, flexibase
5.75,0.99,-12.86,2,5,0, 492.619, 7

Similar to: 3672543,
3616699
 
#31

eMolecules: 6777223
Molport: MolPort-002-711-583
AKOS: AKOS001750355
BioBlocks: A2656/0113213
ChemDiv: 8012-3213...14 total

ref: mol2, SDF, SMILES, flexibase
5.75,1.27,-13.35,2,5,0, 492.619, 7

Similar to: 3672543,
3616692
 
#32

eMolecules: 6777219
Molport: MolPort-002-711-581
AKOS: AKOS001750164
BioBlocks: A2656/0113211
ChemDiv: 8012-3211...13 total

ref: mol2, SDF, SMILES, flexibase
4.58,12.43,-11.92,2,5,0, 444.575, 7
3616689
 
#33

eMolecules: 6777219
Molport: MolPort-002-711-581
AKOS: AKOS001750164
BioBlocks: A2656/0113211
ChemDiv: 8012-3211...13 total

ref: mol2, SDF, SMILES, flexibase
4.58,0.54,-12.08,2,5,0, 444.575, 7
4573072
 
#34

eMolecules: 6777217
Molport: MolPort-002-711-580
AKOS: AKOS001750072
BioBlocks: A2656/0113210
ChemDiv: 8012-3210...11 total

ref: mol2, SDF, SMILES, flexibase
6.28,-3.87,-18.02,2,6,0, 426.623, 14
1087840
 
#35

eMolecules: 6777215
Scientific Exchange (make on demand): M-156765
AKOS: AKOS001750071
BioBlocks: A2656/0113209
ChemDiv: 8012-3209...16 total

ref: mol2, SDF, SMILES, flexibase
3.34,-3.4,-12.51,3,4,0, 355.438, 4
1087841
 
#36

eMolecules: 6777215
Scientific Exchange (make on demand): M-156765
AKOS: AKOS001750071
BioBlocks: A2656/0113209
ChemDiv: 8012-3209...16 total

ref: mol2, SDF, SMILES, flexibase
3.34,-3.66,-12.55,3,4,0, 355.438, 4
718594
 
#37

eMolecules: 6777209
Molport: MolPort-002-711-577
AKOS: AKOS001749973
BioBlocks: A2656/0113206
ChemDiv: 8012-3206...13 total

ref: mol2, SDF, SMILES, flexibase
4.31,0.89,-11.47,0,6,0, 472.286, 4
mid: mol2, SDF, SMILES, flexibase
4.31,1.14,-49.53,1,6,1, 473.294, 4
709790
 
#38

eMolecules: 4514962
Molport: MolPort-001-511-759
Scientific Exchange (make on demand): K-077306
AKOS: AKOS001749498
BioBlocks: A2656/0113201...17 total

ref: mol2, SDF, SMILES, flexibase
6.70,-0.33,-19.66,1,5,0, 484.408, 6

Similar to: 709791, 1185012, 1185013, 33669207, 33669208, ... 13 in total.
709791
 
#39

eMolecules: 4514962
Molport: MolPort-001-511-759
Scientific Exchange (make on demand): K-077306
AKOS: AKOS001749498
BioBlocks: A2656/0113201...17 total

ref: mol2, SDF, SMILES, flexibase
6.70,-0.46,-18.93,1,5,0, 484.408, 6

Similar to: 1185012, 1185013, 33669207, 33669208, 33694337, ... 13 in total.
20506817
 
#40

eMolecules: 2582754
Molport: MolPort-002-711-571
AKOS: AKOS001749400
BioBlocks: A2656/0113199
ChemDiv: 8012-3199...18 total

ref: mol2, SDF, SMILES, flexibase
3.87,8.39,-9.13,1,3,0, 333.378, 5

Similar to: 34696667, 34696669, 34491, 34492, 5729767, ... 19 in total.
20506816
 
#41

eMolecules: 2582754
Molport: MolPort-002-711-571
AKOS: AKOS001749400
BioBlocks: A2656/0113199
ChemDiv: 8012-3199...18 total

ref: mol2, SDF, SMILES, flexibase
3.87,8,-8.57,1,3,0, 333.378, 5

Similar to: 34696667, 34696669, 34491, 34492, 5729767, ... 21 in total.
3616685
 
#42

eMolecules: 9986365
Molport: MolPort-002-711-570
AKOS: AKOS001749399
BioBlocks: A2656/0113198
ChemDiv: 8012-3198...12 total

ref: mol2, SDF, SMILES, flexibase
4.91,-2.12,-9.4,3,4,0, 402.538, 7
3616682
 
#43

eMolecules: 9986365
Molport: MolPort-002-711-570
AKOS: AKOS001749399
BioBlocks: A2656/0113198
ChemDiv: 8012-3198...12 total

ref: mol2, SDF, SMILES, flexibase
4.91,-2.07,-8.56,3,4,0, 402.538, 7
3616680
 
#44

eMolecules: 6777195
Molport: MolPort-002-711-568
AKOS: AKOS001749203
BioBlocks: A2656/0113195
ChemDiv: 8012-3195...11 total

ref: mol2, SDF, SMILES, flexibase
7.20,0.52,-8.86,1,5,0, 488.603, 10
15240277
 
#45

BioBlocks: A2656/0113194
Chemical Block: A2656/0113194
Mcule: MCULE-7318877072
TimTec: ST4067133
PubChem: 16761220...6 total

ref: mol2, SDF, SMILES, flexibase
4.87,9.39,-14.38,2,6,0, 492.622, 7
12417085
 
#46

eMolecules: 26818990, 25822389
Molport: MolPort-002-711-564, MolPort-001-977-851
Scientific Exchange (make on demand): K-081647
AKOS: AKOS001621850, AKOS000589796
American Custom Chemicals Corp.: CHM0286218...24 total

ref: mol2, SDF, SMILES, flexibase
2.78,7.53,-19.01,1,9,0, 441.465, 5

Similar to: 58945790, 58945792, 12417083,
12417083
 
#47

eMolecules: 26818990, 25822389
Molport: MolPort-002-711-564, MolPort-001-977-851
Scientific Exchange (make on demand): K-081647
AKOS: AKOS000589796, AKOS001621850
Asinex: BAS02239481...23 total

ref: mol2, SDF, SMILES, flexibase
2.78,7.54,-15.81,1,9,0, 441.465, 5

Similar to: 12417085, 58945790, 58945792,
4576911
 
#48

eMolecules: 46198418, 26808527
Molport: MolPort-002-711-563, MolPort-010-969-447
AKOS: AKOS001621752, AKOS005616455
BioBlocks: A2656/0113190
Chemical Block: A2656/0113190...17 total

ref: mol2, SDF, SMILES, flexibase
2.83,-1.53,-14.94,1,6,0, 397.5, 6

Similar to: 26404698, 26404700, 26404736, 26404739, 26404800, ... 11 in total.
4576907
 
#49

eMolecules: 46198418, 26808527
Molport: MolPort-002-711-563, MolPort-010-969-447
AKOS: AKOS001621752, AKOS005616455
BioBlocks: A2656/0113190
Chemical Block: A2656/0113190...17 total

ref: mol2, SDF, SMILES, flexibase
2.83,-1.64,-12.92,1,6,0, 397.5, 6

Similar to: 4576911, 26404698, 26404700, 26404736, 26404739, ... 17 in total.
12411332
 
#50

eMolecules: 6114055
Molport: MolPort-001-511-797
Scientific Exchange (make on demand): K-077518
AKOS: AKOS001749106
BioBlocks: A2655/0113189...17 total

ref: mol2, SDF, SMILES, flexibase
5.36,-0.3,-18.57,1,6,0, 439.581, 10

Similar to: 33712809, 33712811, 33729934, 33729935, 34846296, ... 7 in total.
9113150
 
#51

eMolecules: 6114055
Molport: MolPort-001-511-797
Scientific Exchange (make on demand): K-077518
AKOS: AKOS001749106
BioBlocks: A2655/0113189...17 total

ref: mol2, SDF, SMILES, flexibase
5.36,-0.32,-18.31,1,6,0, 439.581, 10

Similar to: 12411332, 33712809, 33712811, 33729934, 33729935, ... 9 in total.
718750
 
#52

eMolecules: 6777185
Molport: MolPort-002-711-562
AKOS: AKOS001750451
BioBlocks: A2655/0113187
ChemDiv: 8012-3187...14 total

ref: mol2, SDF, SMILES, flexibase
5.51,2.33,-10,1,8,0, 464.782, 8
2192133
 
#53

eMolecules: 6777183
Molport: MolPort-002-711-561
AKOS: AKOS001750450
BioBlocks: A2655/0113186
Chemical Block: A2655/0113186...13 total

ref: mol2, SDF, SMILES, flexibase
4.97,-3.78,-8.92,3,8,0, 429.733, 10
2192132
 
#54

eMolecules: 6777181
Molport: MolPort-002-711-560
AKOS: AKOS001750354
BioBlocks: A2655/0113185
ChemDiv: 8012-3185...13 total

ref: mol2, SDF, SMILES, flexibase
6.25,-0.45,-6.73,2,7,0, 425.745, 10
718749
 
#55

eMolecules: 6777179
Molport: MolPort-002-711-559
AKOS: AKOS001750353
BioBlocks: A2655/0113184
ChemDiv: 8012-3184...14 total

ref: mol2, SDF, SMILES, flexibase
5.20,3.27,-10.11,1,8,0, 448.327, 8
2192131
 
#56

eMolecules: 6777177
Molport: MolPort-002-711-558
BioBlocks: A2655/0113183
Chemical Block: A2655/0113183
Mcule: MCULE-5064042391...12 total

ref: mol2, SDF, SMILES, flexibase
4.66,-2.84,-9.05,3,8,0, 413.278, 10
2192130
 
#57

eMolecules: 6777175
Molport: MolPort-002-711-557
AKOS: AKOS001750263
BioBlocks: A2655/0113182
ChemDiv: 8012-3182...14 total

ref: mol2, SDF, SMILES, flexibase
5.94,0.5,-6.81,2,7,0, 409.29, 10
36246
 
#58

BioBlocks: A2655/0113181
Chemical Block: A2655/0113181
Mcule: MCULE-3789723380
ChemDB: 5778350
PubChem: 674005...6 total

ref: mol2, SDF, SMILES, flexibase
4.18,-0.86,-5.3,1,3,0, 306.765, 4
718592
 
#59

eMolecules: 6777171
Molport: MolPort-002-711-555
AKOS: AKOS001750262
BioBlocks: A2655/0113180
ChemDiv: 8012-3180...12 total

ref: mol2, SDF, SMILES, flexibase
1.83,1.16,-14.51,4,8,0, 449.268, 1
hi: mol2, SDF, SMILES, flexibase
1.90,-0.85,-41.37,2,8,-1, 448.26, 1
lo: mol2, SDF, SMILES, flexibase
1.83,1.39,-56.73,5,8,1, 450.276, 1

Similar to: 718593,
718593
 
#60

eMolecules: 6777171
Molport: MolPort-002-711-555
AKOS: AKOS001750262
BioBlocks: A2655/0113180
ChemDiv: 8012-3180...12 total

ref: mol2, SDF, SMILES, flexibase
1.83,1.18,-14.53,4,8,0, 449.268, 1
hi: mol2, SDF, SMILES, flexibase
1.90,-1.31,-46.24,2,8,-1, 448.26, 1
lo: mol2, SDF, SMILES, flexibase
1.83,1.39,-56.7,5,8,1, 450.276, 1

Similar to: 718592,
5409198
 
#61

BioBlocks: A2655/0113179
Chemical Block: A2655/0113179
Mcule: MCULE-6389887976
ChemDB: 5769454
Collaborative Drug Discovery: 116366...7 total

ref: mol2, SDF, SMILES, flexibase
1.75,2.5,-13.38,4,8,0, 399.389, 3
lo: mol2, SDF, SMILES, flexibase
1.75,2.98,-45.34,5,8,1, 400.397, 3
lo: mol2, SDF, SMILES, flexibase
1.75,2.17,-55.51,5,8,1, 400.397, 3

Similar to: 5068013, 5068014,
5409197
 
#62

BioBlocks: A2655/0113179
Chemical Block: A2655/0113179
Mcule: MCULE-6389887976
ChemDB: 5769454
Collaborative Drug Discovery: 116366...7 total

ref: mol2, SDF, SMILES, flexibase
1.75,2.87,-15.3,4,8,0, 399.389, 3
lo: mol2, SDF, SMILES, flexibase
1.75,3.33,-41.2,5,8,1, 400.397, 3
lo: mol2, SDF, SMILES, flexibase
1.75,2.53,-58.53,5,8,1, 400.397, 3

Similar to: 5068013, 5068014,
3616676
 
#63

eMolecules: 6777161
Molport: MolPort-002-711-552
AKOS: AKOS001749972
BioBlocks: A2655/0113174
ChemDiv: 8012-3174...13 total

ref: mol2, SDF, SMILES, flexibase
4.68,11.05,-16.32,2,7,0, 496.563, 8
90497
 
#64

eMolecules: 835638
Molport: MolPort-000-885-867
Scientific Exchange (make on demand): H-035407
AKOS: AKOS000295611
BioBlocks: A2655/0113171...23 total

ref: mol2, SDF, SMILES, flexibase
3.32,1.7,-8.76,0,3,0, 320.126, 4
4576904
 
#65

eMolecules: 2503822
Molport: MolPort-001-530-181
Scientific Exchange (make on demand): H-079811
BioBlocks: A2655/0113169
ChemBridge: 7958948...14 total

ref: mol2, SDF, SMILES, flexibase
3.09,3.25,-11.72,0,4,0, 290.29, 6
8439886
 
#66

eMolecules: 26320781
Molport: MolPort-019-754-570, MolPort-000-836-352
Scientific Exchange (make on demand): H-079804
BioBlocks: A2655/0113162
Chemical Block: A2655/0113162...20 total

ref: mol2, SDF, SMILES, flexibase
3.40,2.62,-17.49,1,12,0, 503.519, 8
mid: mol2, SDF, SMILES, flexibase
3.40,2.87,-37.22,2,12,1, 504.527, 8

Similar to: 34859776,
4576902
 
#67

Scientific Exchange (make on demand): H-079802
BioBlocks: A2655/0113160
Chemical Block: A2655/0113160
Mcule: MCULE-8064216226
ChemDB: 5778349...8 total

ref: mol2, SDF, SMILES, flexibase
3.24,-2.92,-15.69,1,7,0, 389.506, 7
36245
 
#68

eMolecules: 1446423
Molport: MolPort-001-530-179
Scientific Exchange (make on demand): H-079800
AKOS: AKOS000575799
Asinex: BAS04204003...18 total

ref: mol2, SDF, SMILES, flexibase
1.34,0.11,-14.61,3,10,0, 336.315, 4
1068451
 
#69

eMolecules: 1446425
Scientific Exchange (make on demand): H-079794
AKOS: AKOS000575800
Asinex: BAS04204005
BioBlocks: A2655/0113152...26 total

ref: mol2, SDF, SMILES, flexibase
2.82,11.95,-21.81,0,10,0, 467.555, 4
lo: mol2, SDF, SMILES, flexibase
2.82,12.58,-37.11,1,10,1, 468.563, 4
2191013
 
#70

eMolecules: 1684471
Molport: MolPort-001-536-329
Scientific Exchange (make on demand): Q-030678
AKOS: AKOS001749789
Alinda: IBS-0011057...18 total

ref: mol2, SDF, SMILES, flexibase
6.33,1.41,-13.52,1,6,0, 505.014, 8

Similar to: 2998832,
4450976
 
#71

eMolecules: 1456652
Molport: MolPort-001-530-172
Scientific Exchange (make on demand): H-079754
AKOS: AKOS000599772
Alinda: IBS-L0125852...19 total

ref: mol2, SDF, SMILES, flexibase
4.37,-1.32,-21.84,2,6,0, 408.498, 7
2190896
 
#72

eMolecules: 1684462
Molport: MolPort-002-237-528
Scientific Exchange (make on demand): H-079753
AKOS: AKOS001749598
BioBlocks: A2654/0113134...19 total

ref: mol2, SDF, SMILES, flexibase
4.40,-0.12,-17.69,1,7,0, 488.975, 5
2190895
 
#73

eMolecules: 1684462
Molport: MolPort-002-237-528
Scientific Exchange (make on demand): H-079753
AKOS: AKOS001749598
BioBlocks: A2654/0113134...19 total

ref: mol2, SDF, SMILES, flexibase
4.40,-0.12,-18.01,1,7,0, 488.975, 5
717645
 
#74

eMolecules: 1684458
Molport: MolPort-001-530-171
Scientific Exchange (make on demand): H-079751
AKOS: AKOS001749497
Alinda: IBS-L0032693...19 total

ref: mol2, SDF, SMILES, flexibase
4.94,-0.09,-12.78,1,5,0, 415.88, 3

Similar to: 717644,
717644
 
#75

eMolecules: 1684458
Molport: MolPort-001-530-171
Scientific Exchange (make on demand): H-079751
AKOS: AKOS001749497
Alinda: IBS-L0032693...19 total

ref: mol2, SDF, SMILES, flexibase
4.94,-0.09,-12.69,1,5,0, 415.88, 3

Similar to: 717645,
139948
 
#76

eMolecules: 1684448
Molport: MolPort-001-530-167
Scientific Exchange (make on demand): H-079745
AKOS: AKOS001749496
Alinda: IBS-L0032688...23 total

ref: mol2, SDF, SMILES, flexibase
1.75,3.7,-12.43,1,8,0, 299.279, 7

Similar to: 2582962, 2582988,
8444688
 
#77

eMolecules: 1684442
Molport: MolPort-001-530-161
Scientific Exchange (make on demand): H-079738
AKOS: AKOS001011430
Alinda: IBS-L0040222...18 total

ref: mol2, SDF, SMILES, flexibase
6.77,0.37,-11.83,1,5,0, 491.031, 5

Similar to: 28825878,
90490
 
#78

eMolecules: 1684440
Molport: MolPort-001-530-160
Scientific Exchange (make on demand): H-079737
AKOS: AKOS001749297
Alinda: IBS-L0032682...19 total

ref: mol2, SDF, SMILES, flexibase
2.63,0.87,-11.05,1,6,0, 326.381, 5

Similar to: 7876441, 16222898, 16728910, 19853597, 22165960, ... 5 in total.
139941
 
#79

eMolecules: 834917
Molport: MolPort-000-870-957
Scientific Exchange: H-079726
AKOS: AKOS000270768
Alinda: IBS-L0032673...31 total

ref: mol2, SDF, SMILES, flexibase
3.08,5.11,-8.6,2,3,0, 257.771, 3

Similar to: 4898378, 4898380,
1102598
 
#80

eMolecules: 1678909
Molport: MolPort-002-711-549
Scientific Exchange (make on demand): H-079721
AKOS: AKOS003293197
Alinda: IBS-L0133357...16 total

ref: mol2, SDF, SMILES, flexibase
4.24,-2.09,-24.79,1,8,0, 443.507, 6
2191011
 
#81

eMolecules: 1684412
Molport: MolPort-001-530-147
Scientific Exchange (make on demand): H-079716
AKOS: AKOS001749009
Alinda: IBS-0011056...16 total

ref: mol2, SDF, SMILES, flexibase
6.21,0.34,-16.41,1,6,0, 511.405, 8
90483
 
#82

eMolecules: 6777155
Molport: MolPort-002-711-548
Scientific Exchange (make on demand): H-079705
AKOS: AKOS000348194
AsisChem: E02726...17 total

ref: mol2, SDF, SMILES, flexibase
4.40,-2.53,-8.56,2,3,0, 283.485, 2

Similar to: 382323, 9189228,
139937
 
#83

eMolecules: 1700738
Molport: MolPort-000-999-246
Scientific Exchange (make on demand): H-033638
AKOS: AKOS000247571
BioBlocks: A2653/0113079...23 total

ref: mol2, SDF, SMILES, flexibase
3.19,-1,-8.76,1,3,0, 278.735, 5

Similar to: 32208861, 32208865, 32208886, 32208891, 36195129, ... 5 in total.
1407135
 
#84

eMolecules: 3577817
Molport: MolPort-002-711-544
Scientific Exchange (make on demand): C-009502
AKOS: AKOS000431475
BioBlocks: A2653/0113069...15 total

ref: mol2, SDF, SMILES, flexibase
1.39,3.48,-15.26,0,8,0, 368.345, 4
12412637
 
#85

Scientific Exchange (make on demand): H-079764
AKOS: AKOS005152048
BioBlocks: A2653/0113062
Chemical Block: A2653/0113062
Mcule: MCULE-2259346851...15 total

ref: mol2, SDF, SMILES, flexibase
1.28,4,-10.34,1,7,0, 326.356, 4
12417253
 
#86

eMolecules: 26808525
Molport: MolPort-002-711-541
Scientific Exchange: H-079694
AKOS: AKOS001750261
BioBlocks: A2653/0113060...16 total

ref: mol2, SDF, SMILES, flexibase
6.68,-0.86,-9.84,1,5,0, 422.329, 6
18140184
 
#87

eMolecules: 6777143
Molport: MolPort-002-711-540
Scientific Exchange (make on demand): H-079692
BioBlocks: A2653/0113058
ChemDiv: 8012-3058...19 total

ref: mol2, SDF, SMILES, flexibase
3.05,6.96,-18.45,1,7,0, 390.852, 5
38195025
 
#88

eMolecules: 26770596
Molport: MolPort-001-530-135
Scientific Exchange (make on demand): H-079681
AKOS: AKOS001750069
BioBlocks: A2653/0113048...18 total

ref: mol2, SDF, SMILES, flexibase
6.31,12.34,-6.1,0,1,0, 356.556, 4

Similar to: 38552644, 717868, 5824695, 6357200, 6428404, ... 12 in total.
12410492
 
#89

eMolecules: 206920510
Molport: MolPort-002-711-539
Scientific Exchange: M-088170
BioBlocks: A2653/0113047
ChemDiv: 8012-3047...22 total

ref: mol2, SDF, SMILES, flexibase
1.51,6,-14.26,0,3,0, 193.227, 1
33557
 
#90

Scientific Exchange: H-079676
AKOS: AKOS003666217
BioBlocks: A2652/0113042
Chemical Block: A2652/0113042
Mcule: MCULE-2438701142...11 total

ref: mol2, SDF, SMILES, flexibase
3.50,3.06,-8.99,0,3,0, 295.363, 3

Similar to: 13880612,
2191436
 
#91

eMolecules: 6777133
Molport: MolPort-001-530-130
Scientific Exchange (make on demand): H-079675
AKOS: AKOS001749970
BioBlocks: A2652/0113041...13 total

ref: mol2, SDF, SMILES, flexibase
5.46,1.47,-6.17,0,2,0, 337.916, 2

Similar to: 16608056, 16608058, 523955,
215262
 
#92

eMolecules: 2576102
Molport: MolPort-001-530-129
Scientific Exchange: H-079674
AKOS: AKOS001694103
BioBlocks: A2652/0113040...20 total

ref: mol2, SDF, SMILES, flexibase
4.91,2.67,-13.3,0,3,0, 313.282, 2
mid: mol2, SDF, SMILES, flexibase
1.41,2.9,-24.13,1,3,1, 314.29, 2
2191506
 
#93

eMolecules: 6777131
Molport: MolPort-001-623-845
AKOS: AKOS001749878
BioBlocks: A2652/0113037
ChemDiv: 8012-3037...18 total

ref: mol2, SDF, SMILES, flexibase
4.27,11.4,-18.24,1,5,0, 501.196, 9

Similar to: 10572398, 10572399, 12264535, 12266304, ... 4 in total.
8444723
 
#94

eMolecules: 6777129
Molport: MolPort-001-520-506
AKOS: AKOS001754669
BioBlocks: A2652/0113035
ChemDiv: 8012-3035...16 total

ref: mol2, SDF, SMILES, flexibase
3.33,-0.88,-39.85,2,8,0, 482.606, 11

Similar to: 15654326, 15656609, 15657304, 16029734, 24222863, ... 13 in total.
54206
 
#95

eMolecules: 4640997
Scientific Exchange (make on demand): M-067837
AKOS: AKOS001754578
BioBlocks: A2652/0113025
ChemDiv: 8012-3025...18 total

ref: mol2, SDF, SMILES, flexibase
-0.42,0.25,-13.3,3,6,0, 251.217, 3
ref: mol2, SDF, SMILES, flexibase
-0.42,0.44,-12.32,3,6,0, 251.217, 3
mid: mol2, SDF, SMILES, flexibase
-0.24,-2.29,-42.77,2,6,-1, 250.209, 3
mid: mol2, SDF, SMILES, flexibase
-0.24,-2.11,-41.44,2,6,-1, 250.209, 3
18106291
 
#96

eMolecules: 1497453
Molport: MolPort-001-556-581
Scientific Exchange (make on demand): M-067836
AKOS: AKOS000589638
Asinex: BAS07329578...27 total

ref: mol2, SDF, SMILES, flexibase
1.34,6.59,-19.44,1,8,0, 398.415, 8
ref: mol2, SDF, SMILES, flexibase
1.34,6.59,-16.64,1,8,0, 398.415, 8
lo: mol2, SDF, SMILES, flexibase
1.34,7.87,-68.98,2,8,1, 399.423, 8

Similar to: 38515663, 4476081, 10169970,
717867
 
#97

eMolecules: 6777125
Molport: MolPort-002-711-538
AKOS: AKOS001754490
BioBlocks: A2652/0113018
Chemical Block: A2652/0113018...18 total

ref: mol2, SDF, SMILES, flexibase
4.30,13.19,-14.31,1,5,0, 479.001, 8
ref: mol2, SDF, SMILES, flexibase
4.30,13.19,-13.97,1,5,0, 479.001, 8
717863
 
#98

eMolecules: 6114065
Molport: MolPort-001-556-576
Scientific Exchange (make on demand): M-067830
AKOS: AKOS001755737
BioBlocks: A2652/0113014...18 total

ref: mol2, SDF, SMILES, flexibase
1.46,6.38,-17.77,2,7,0, 371.368, 6
ref: mol2, SDF, SMILES, flexibase
1.46,6.22,-19.65,2,7,0, 371.368, 6

Similar to: 33779522, 34848832, 34888815,
90451
 
#99

eMolecules: 1824032
Scientific Exchange (make on demand): M-011958
AKOS: AKOS001755736
BioBlocks: A2652/0113009
ChemDiv: 8012-3009...18 total

ref: mol2, SDF, SMILES, flexibase
1.55,6.76,-17.84,2,6,0, 343.77, 4
ref: mol2, SDF, SMILES, flexibase
1.55,6.94,-15.25,2,6,0, 343.77, 4

Similar to: 33716752,
34115
 
#100

eMolecules: 1483828
Scientific Exchange (make on demand): M-263914
AKOS: AKOS000460700
Asinex: BAS06657920
BioBlocks: A2652/0113005...22 total

ref: mol2, SDF, SMILES, flexibase
3.71,10.27,-11.17,0,3,0, 280.302, 4

Similar to: 555474, 6257848, 6616131,

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 = 804 ) limit 0,100

Smiles were