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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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105318
 
#1

ChemMol: 1202781
eMolecules: 522210
Acros Organics: SB01952
AKOS: AKOS000278785
Alfa-Aesar: B22129...63 total

ref: mol2, SDF, SMILES, flexibase
1.38,1.85,-8.9,1,3,0, 158.178, 2
ref: mol2, SDF, SMILES, flexibase
-0.10,3.44,-10.11,0,3,0, 158.178, 2
mid: mol2, SDF, SMILES, flexibase
1.38,2.73,-50.16,0,3,-1, 157.17, 2
47175
 
#2

eMolecules: 2062808
Molport: MolPort-001-021-651
Scientific Exchange (make on demand): Z-068197
AKOS: AKOS000483599
Alinda: IBS-L0058178...22 total

ref: mol2, SDF, SMILES, flexibase
1.42,2.24,-15.74,3,4,0, 213.24, 3
ref: mol2, SDF, SMILES, flexibase
1.42,2.41,-13.58,3,4,0, 213.24, 3
lo: mol2, SDF, SMILES, flexibase
0.90,1.53,-45.07,3,4,1, 214.248, 3
lo: mol2, SDF, SMILES, flexibase
0.90,1.53,-45.64,3,4,1, 214.248, 3
13121955
 
#3

eMolecules: 2299820
Molport: MolPort-001-487-784
Scientific Exchange (make on demand): X-094752
Alinda: IBS-L0059717
Aronis: M04096...20 total

ref: mol2, SDF, SMILES, flexibase
2.68,4.96,-6.18,1,3,0, 200.241, 3
ref: mol2, SDF, SMILES, flexibase
2.68,4.75,-7.8,1,3,0, 200.241, 3
lo: mol2, SDF, SMILES, flexibase
2.68,5.18,-31.37,2,3,1, 201.249, 3
lo: mol2, SDF, SMILES, flexibase
2.17,4.05,-38.4,1,3,1, 201.249, 3
lo: mol2, SDF, SMILES, flexibase
2.17,4.05,-38.45,1,3,1, 201.249, 3
lo: mol2, SDF, SMILES, flexibase
2.68,5.39,-32.58,2,3,1, 201.249, 3

Similar to: 32238239,
587287
 
#4

eMolecules: 3763371
Molport: MolPort-001-505-533
Scientific Exchange: K-000398
AKOS: AKOS000496199
Alinda: IBS-C0007091...18 total

ref: mol2, SDF, SMILES, flexibase
2.40,-1.13,-18.01,2,5,0, 257.293, 5

Similar to: 10475846, 34020,
69025
 
#5

eMolecules: 26455944
Scientific Exchange (make on demand): C-004735
AKOS: AKOS000493339
Alinda: IBS-L0047294
Aronis: a04291...18 total

ref: mol2, SDF, SMILES, flexibase
1.54,6.16,-19.52,1,5,0, 240.266, 2

Similar to: 36775097, 45689844,
18176331
 
#6

eMolecules: 18177917
Molport: MolPort-001-523-862
Scientific Exchange (make on demand): H-001174
AKOS: AKOS000489389
Alinda: IBS-L0064116...22 total

ref: mol2, SDF, SMILES, flexibase
1.71,0.72,-10.64,5,7,0, 232.247, 3
mid: mol2, SDF, SMILES, flexibase
1.71,0.88,-35.36,6,7,1, 233.255, 3
438265
 
#7

eMolecules: 2082328
Molport: MolPort-001-636-940
AKOS: AKOS000805801
Innovapharm: STT-00297265
Life Chemicals: F0131-0034...18 total

ref: mol2, SDF, SMILES, flexibase
1.83,4.43,-8.63,0,4,0, 240.262, 3
lo: mol2, SDF, SMILES, flexibase
1.83,4.71,-36.41,1,4,1, 241.27, 3

Similar to: 35251,
236157
 
#8

eMolecules: 1071976
Molport: MolPort-001-019-495
Scientific Exchange (make on demand): Z-027289
AKOS: AKOS002926840
ChemBridge: 5354241...19 total

ref: mol2, SDF, SMILES, flexibase
0.99,4.43,-27.57,2,5,0, 226.239, 3

Similar to: 43978150,
3525115
 
#9

eMolecules: 1967007
Molport: MolPort-003-056-325
Scientific Exchange (make on demand): Z-035529
AKOS: AKOS001003907
Life Chemicals: F0847-0002...17 total

ref: mol2, SDF, SMILES, flexibase
2.07,-0.66,-8.91,4,5,0, 258.075, 2
hi: mol2, SDF, SMILES, flexibase
2.07,0.1,-34.26,3,5,-1, 257.067, 2

Similar to: 7895014, 43907099,
10272174
 
#10

eMolecules: 26464357
Scientific Exchange (make on demand): X-087016
AKOS: AKOS002221609
Innovapharm: STT-00140292
Mcule: MCULE-6712849045...10 total

ref: mol2, SDF, SMILES, flexibase
1.14,4.25,-12.82,1,4,0, 178.22, 2
ref: mol2, SDF, SMILES, flexibase
1.14,6.23,-11.88,1,4,0, 178.22, 2
hi: mol2, SDF, SMILES, flexibase
1.14,5.98,-42.8,0,4,-1, 177.212, 2
hi: mol2, SDF, SMILES, flexibase
1.14,4.09,-42.78,0,4,-1, 177.212, 2
2458546
 
#11

eMolecules: 45556791
Molport: MolPort-001-836-745, MolPort-003-247-497
Innovapharm: STT-00209558
Labotest: LT00140558
Life Chemicals: F0266-2977...14 total

ref: mol2, SDF, SMILES, flexibase
1.53,1.73,-15.37,2,5,0, 248.263, 1
mid: mol2, SDF, SMILES, flexibase
1.53,1.77,-36.4,1,5,-1, 247.255, 1

Similar to: 33740636, 33740637,
13596696
 
#12

Life Chemicals: F5067-0036
PubChem: 25813470
SMDC Life and Maybridge (building blocks): 303881
ref: mol2, SDF, SMILES, flexibase
2.36,4.77,-10.48,1,4,0, 242.687, 2
76018
 
#13

eMolecules: 1193338
Scientific Exchange (make on demand): POD_32/0338
AKOS: AKOS000515313
Aldrich CPR: S263761|ALDRICH
Asinex: BAS00321145...25 total

ref: mol2, SDF, SMILES, flexibase
2.15,8.24,-10.87,0,3,0, 224.215, 1

Similar to: 4826037, 33847384, 35856138,
5202396
 
#14

eMolecules: 12155073
Molport: MolPort-003-093-066
Mcule: MCULE-3013810712
Life Chemicals (Depleted): F2032-0055
PubChem: 7552678...7 total

ref: mol2, SDF, SMILES, flexibase
2.89,-1.78,-9.73,0,2,0, 231.32, 1

Similar to: 5202398, 5202465, 5075395, 5075401, 5075402, ... 19 in total.
12443653
 
#15

eMolecules: 16872192
Molport: MolPort-011-760-273
Aldrich CPR: T324620|ALDRICH
Enamine Building Blocks: EN300-99820
Life Chemicals: F5053-0040...13 total

ref: mol2, SDF, SMILES, flexibase
1.37,-3,-10.16,1,4,0, 258.73, 1

Similar to: 25255258, 25526384, 12443652,
12443652
 
#16

eMolecules: 16872192
Molport: MolPort-011-760-273
Aldrich CPR: T324620|ALDRICH
Enamine Building Blocks: EN300-99820
Life Chemicals: F5053-0040...13 total

ref: mol2, SDF, SMILES, flexibase
1.37,-2.6,-8.62,1,4,0, 258.73, 1

Similar to: 12443653, 25255258,
4263371
 
#17

eMolecules: 5480994
Molport: MolPort-003-059-178
Life Chemicals: F1059-0052
Mcule: MCULE-2163253766
ChemDB: 6211925...8 total

ref: mol2, SDF, SMILES, flexibase
2.15,0.61,-20.2,0,4,0, 230.248, 2
119763
 
#18

eMolecules: 2703805
Molport: MolPort-002-366-847
Scientific Exchange (make on demand): Z-043364
AKOS: AKOS001016322
Enamine: Z15478801...15 total

ref: mol2, SDF, SMILES, flexibase
2.65,1.07,-8.91,0,4,0, 250.323, 5
3882305
 
#19

eMolecules: 832970
AK Scientific: HTS004525
AKOS: AKOS000270331
Asinex: BAS09627480
Asinex Building Blocks: BAS09627480...34 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.19,-14.66,0,4,0, 249.653, 1

Similar to: 39868093, 39868094,
6308257
 
#20

eMolecules: 5485538
Molport: MolPort-003-060-664
Life Chemicals: F1212-0178
Mcule: MCULE-9032509997
ChemDB: 6267037...10 total

ref: mol2, SDF, SMILES, flexibase
3.18,6.26,-9.57,1,3,0, 238.356, 3
9070015
 
#21

eMolecules: 12301301
Molport: MolPort-003-120-140
Mcule: MCULE-7734993425
Life Chemicals (Depleted): F2382-0112
PubChem: 16925345...8 total

ref: mol2, SDF, SMILES, flexibase
0.22,1.71,-16.37,1,7,0, 236.231, 3
8803844
 
#22

Life Chemicals BB Make-on-Demand: F2257-0271
Collaborative Drug Discovery: 1371566
PubChem: 16820466
SMDC Life and Maybridge (building blocks): 303895
ref: mol2, SDF, SMILES, flexibase
1.87,-2.53,-11.74,2,4,0, 258.302, 2

Similar to: 36990693,
76739
 
#23

eMolecules: 5607528
Molport: MolPort-002-913-563
Maybridge: RF02885
Maybridge Hit Finder: RF02885
ChemDB: 4771224...8 total

ref: mol2, SDF, SMILES, flexibase
1.01,4.64,-12.45,1,3,0, 212.299, 2
76866
 
#24

eMolecules: 5607536
Molport: MolPort-002-913-606
Life Chemicals: F2739-0054
Maybridge Hit Finder: RF03179
Mcule: MCULE-8277850287...11 total

ref: mol2, SDF, SMILES, flexibase
1.67,-3.37,-14.37,2,4,0, 259.334, 3
8803819
 
#25

PubChem: 18570815
SMDC Life and Maybridge (building blocks): 303805
ref: mol2, SDF, SMILES, flexibase
2.55,-1.96,-11.36,2,4,0, 258.321, 2

Similar to: 36990704, 38714734, 38714739, 38714741, 38714755, ... 6 in total.
11739287
 
#26

eMolecules: 16995240
Life Chemicals: F5225-0579
Mcule: MCULE-7997621764
PubChem: 42139384
SMDC Life and Maybridge (building blocks): 303900...7 total

ref: mol2, SDF, SMILES, flexibase
1.62,3.99,-15.72,1,5,0, 235.268, 3
16850201
 
#27

eMolecules: 22761729
Mcule: MCULE-5780299943
Life Chemicals (Virtual): F5382-0544
PubChem: 27377861
SMDC Life and Maybridge (building blocks): 303901...7 total

ref: mol2, SDF, SMILES, flexibase
2.30,2.81,-13.31,3,4,0, 251.286, 4
10386431
 
#28

eMolecules: 5664966
Life Chemicals: F3261-0012
Mcule: MCULE-8308484486
PubChem: 18593359
SMDC Life and Maybridge (building blocks): 303902...7 total

ref: mol2, SDF, SMILES, flexibase
0.64,1.56,-10.4,0,6,0, 255.251, 4
4869926
 
#29

eMolecules: 2269217
AKOS: AKOS002263045
BioBlocks: A4209/0179173
ChemBridge: 7973882
Chemical Block: A4209/0179173...18 total

ref: mol2, SDF, SMILES, flexibase
1.56,3.19,-12.84,1,5,0, 253.261, 3

Similar to: 6676575, 6676576, 6677072, 6677390, 39557456, ... 5 in total.
11666323
 
#30

eMolecules: 18230356
Chembo Pharma: KB-270598
Life Chemicals: F2929-0013
Mcule: MCULE-8460340953
Sphinx Make-on-demand: TPY-1-0355...9 total

ref: mol2, SDF, SMILES, flexibase
1.57,-1.6,-23.94,1,5,0, 251.311, 3
lo: mol2, SDF, SMILES, flexibase
1.57,-1.53,-34.19,2,5,1, 252.319, 3
12015706
 
#31

Otava (Virtual): 7423841
PubChem: 42352857
SMDC Life and Maybridge (building blocks): 303905
ref: mol2, SDF, SMILES, flexibase
0.70,3.81,-12.46,1,5,0, 236.3, 2
481148
 
#32

eMolecules: 2600128
AKOS: AKOS002250323
ChemBridge: 9107085
Innovapharm: STT-00249902
Life Chemicals: F3267-0002...19 total

ref: mol2, SDF, SMILES, flexibase
2.51,-0.11,-11.42,0,3,0, 216.265, 0

Similar to: 21663183, 34218597,
173683
 
#33

eMolecules: 1012866, 836026
AKOS: AKOS002733012
Alfa-Aesar: H50665
BioBlocks: A4209/0179181
Chembo Pharma: KB-222009...32 total

ref: mol2, SDF, SMILES, flexibase
1.19,4.58,-12.29,1,5,0, 223.239, 2
mid: mol2, SDF, SMILES, flexibase
1.19,4.43,-47.07,0,5,-1, 222.231, 2
hi: mol2, SDF, SMILES, flexibase
1.19,4.44,-47.09,0,5,-1, 222.231, 2
2664812
 
#34

eMolecules: 3242946
Molport: MolPort-001-611-015
Scientific Exchange (make on demand): M-788763
AKOS: AKOS001064802
Enamine: Z19718797...20 total

ref: mol2, SDF, SMILES, flexibase
0.66,4.91,-13.59,1,7,0, 250.21, 5

Similar to: 15651201, 15651203, 16416303,
410741
 
#35

eMolecules: 1458100
AKOS: AKOS000667404
Chembo Pharma: KB-298075
ChemBridge: 7982473
Chemstep: 38617...18 total

ref: mol2, SDF, SMILES, flexibase
1.66,3.49,-18.39,1,5,0, 256.29, 2
5250369
 
#36

eMolecules: 5740635
Molport: MolPort-003-359-733
Mcule: MCULE-4201514551
Life Chemicals (Depleted): F2792-0198
PubChem: 7584282...7 total

ref: mol2, SDF, SMILES, flexibase
1.02,6.26,-9.84,1,7,0, 241.258, 2
lo: mol2, SDF, SMILES, flexibase
1.02,6.54,-30.53,2,7,1, 242.266, 2
5168232
 
#37

Life Chemicals (Virtual): F2507-0106
BindingDB.org: 69263
ChEMBL12: CHEMBL1539836
ChEMBL19: CHEMBL1539836
ChemDB: 7861460...9 total

ref: mol2, SDF, SMILES, flexibase
2.63,6.93,-11.76,0,4,0, 248.336, 2

Similar to: 4376851,
4505021
 
#38

Otava (Virtual): 4573601, 4478836
ChemDB: 7822534
PubChem: 7260088, 18573638
SMDC Life and Maybridge (building blocks): 303918
ref: mol2, SDF, SMILES, flexibase
-0.64,-0.04,-17.08,1,5,0, 240.284, 2

Similar to: 4505023, 41666213, 41666219, 43057968, 43057969, ... 7 in total.
4505023
 
#39

Otava (Virtual): 4573601, 4478836
ChemDB: 7822534
PubChem: 7260090, 18573638
SMDC Life and Maybridge (building blocks): 303918
ref: mol2, SDF, SMILES, flexibase
-0.64,-0.05,-17.13,1,5,0, 240.284, 2

Similar to: 41666213, 41666219, 43057968, 43057969, 43058322, ... 7 in total.
78283
 
#40

eMolecules: 1243894
AKOS: AKOS000536101
Enamine: Z56823186
IBScreen: STOCK2S-85579
Life Chemicals: F0239-0748...21 total

ref: mol2, SDF, SMILES, flexibase
2.77,0.76,-12.51,0,4,0, 258.35, 1
10327024
 
#41

eMolecules: 5630804
Molport: MolPort-003-174-836
Life Chemicals: F2879-5307
Mcule: MCULE-9259093416
PubChem: 18588753...7 total

ref: mol2, SDF, SMILES, flexibase
-0.41,1.26,-8.3,2,6,0, 245.238, 4
lo: mol2, SDF, SMILES, flexibase
-0.41,1.54,-37.25,3,6,1, 246.246, 4
12235344
 
#42

eMolecules: 13667621
Molport: MolPort-003-125-428
Mcule: MCULE-5184572512
Enamine-REAL: Z994059954
Life Chemicals (Virtual): F2493-0001...10 total

ref: mol2, SDF, SMILES, flexibase
2.33,-0.1,-8.98,1,4,0, 242.278, 4

Similar to: 12639160, 36886067,
8804319
 
#43

eMolecules: 5659378
AKOS: AKOS002324928
Innovapharm: STT-00313759
Mcule: MCULE-3499449523
Otava: 7119831929...13 total

ref: mol2, SDF, SMILES, flexibase
1.72,1.2,-8.11,2,4,0, 239.658, 3

Similar to: 42779438,
10220519
 
#44

eMolecules: 5614700
Molport: MolPort-003-164-516
Life Chemicals: F2764-0073
Mcule: MCULE-1360227542
PubChem: 18583941...9 total

ref: mol2, SDF, SMILES, flexibase
1.66,-2.43,-8.69,1,5,0, 251.282, 3

Similar to: 10220520,
10220520
 
#45

eMolecules: 5614700
Molport: MolPort-003-164-516
Life Chemicals: F2764-0073
Mcule: MCULE-1360227542
PubChem: 18583941...9 total

ref: mol2, SDF, SMILES, flexibase
1.66,-2.38,-8.52,1,5,0, 251.282, 3

Similar to: 10220519,
10327026
 
#46

eMolecules: 5630806
Molport: MolPort-003-174-837
Life Chemicals: F2879-5321
Mcule: MCULE-6269136773
PubChem: 18588754...7 total

ref: mol2, SDF, SMILES, flexibase
-0.70,0.99,-6.91,2,5,0, 205.217, 3
lo: mol2, SDF, SMILES, flexibase
-0.70,1.27,-35.8,3,5,1, 206.225, 3
13596615
 
#47

eMolecules: 16890714
Enamine: Z372547918
Life Chemicals: F5066-0184
Mcule: MCULE-8286039380
ZereneX: ZX-AV-EM014314...9 total

ref: mol2, SDF, SMILES, flexibase
0.57,3.78,-9.24,1,6,0, 220.232, 2
967261
 
#48

eMolecules: 904822
AKOS: AKOS000273554
Enamine Building Blocks: EN300-28569
IBScreen: STOCK2S-29948
Innovapharm: STT-00066544...32 total

ref: mol2, SDF, SMILES, flexibase
-0.68,-1.77,-10.58,5,5,0, 172.213, 1

Similar to: 42675761, 42675841, 42675923,
3861306
 
#49

ChemMol: 96700261
eMolecules: 485883
Scientific Exchange (make on demand): X-015992
A&J Pharmtech: AJ-02770
Acros Organics: 17675...78 total

ref: mol2, SDF, SMILES, flexibase
1.34,4.03,-7.52,0,3,0, 178.187, 1

Similar to: 36182309, 39233563,
158964
 
#50

eMolecules: 36513173, 720590
Molport: MolPort-019-907-965
Acros Organics: CC21914
AK Scientific: Y4586
AKOS: AKOS000101307...56 total

ref: mol2, SDF, SMILES, flexibase
1.46,5.15,-4.88,2,2,0, 158.204, 1

Similar to: 5900376, 37104309,
104135
 
#51

eMolecules: 814964
Molport: MolPort-000-929-071
AKOS: AKOS000249135
FineTech: FT-0605458
Innovapharm: STT-00256815...26 total

ref: mol2, SDF, SMILES, flexibase
1.83,6.14,-8.13,0,3,0, 201.225, 2

Similar to: 6251342, 39245626,
15219920
 
#52

eMolecules: 206845897
Molport: MolPort-001-549-391
Scientific Exchange (make on demand): Q-099276
AKOS: AKOS000491873
Alinda: IBS-L0045451...25 total

ref: mol2, SDF, SMILES, flexibase
0.48,0.52,-4.68,0,3,0, 111.1, 2
ref: mol2, SDF, SMILES, flexibase
1.30,0.31,-5.61,1,3,0, 111.1, 1
4200682
 
#53

eMolecules: 725226
Acros Organics: CC35609
AK Scientific: Y4296
Aldrich CPR: CDS016962|ALDRICH
Ark Pharm Building Blocks: AK143065...19 total

ref: mol2, SDF, SMILES, flexibase
1.76,3.47,-7.19,1,2,0, 185.226, 2
lo: mol2, SDF, SMILES, flexibase
1.76,3.75,-35.68,2,2,1, 186.234, 2

Similar to: 34586673,
159651
 
#54

ChemMol: 42301754
eMolecules: 720866
Acros Organics: CD11242
AK Scientific: X9262, W5118
AKOS: AKOS000104444...78 total

ref: mol2, SDF, SMILES, flexibase
0.24,1.29,-6.8,2,3,0, 125.175, 0

Similar to: 34624786, 39049254, 39133993,
4277243
 
#55

eMolecules: 724856
Acros Organics: CC01418
AK Scientific: Y9829
Chembo Pharma: KB-164060
Molport BB: MolPort-000-142-192...13 total

ref: mol2, SDF, SMILES, flexibase
1.42,3.14,-14.74,2,3,0, 195.243, 1
161498
 
#56

eMolecules: 918496
AK Scientific: Y7900
Aldrich CPR: CDS004539|ALDRICH
Ark Pharm Building Blocks: AK-62596
BioSynth: W-206131...25 total

ref: mol2, SDF, SMILES, flexibase
1.98,3.25,-9.43,0,2,0, 214.673, 0
4272161
 
#57

eMolecules: 7725143, 725082
Molport: MolPort-001-537-429
Scientific Exchange (make on demand): M-323608, Q-034547
Acros Organics: MO07096
AK Scientific: 2051AE...48 total

ref: mol2, SDF, SMILES, flexibase
2.49,-0.56,-6.48,2,2,0, 187.242, 0
4478925
 
#58

ChemDB: 7738092
PubChem: 7243518
SMDC Life and Maybridge (building blocks): 303811
AKOS (make-on-demand): AKOS002056587
ref: mol2, SDF, SMILES, flexibase
2.01,-1.41,-7.16,1,3,0, 251.351, 4
4271926
 
#59

ChemMol: 44006743, 83600794
eMolecules: 721973
Acros Organics: NRB00999
AK Scientific: W5630
Alfa-Aesar: H32028...49 total

ref: mol2, SDF, SMILES, flexibase
1.29,3.93,-8.15,2,2,0, 161.204, 0

Similar to: 5208189, 34560604,
13466601
 
#60

eMolecules: 29805911
Molport: MolPort-002-909-675
Chembo Pharma: KB-302230
Maybridge (Depleted): MO08162
Protein Databank: 2LY...7 total

ref: mol2, SDF, SMILES, flexibase
0.86,1.11,-12.29,1,4,0, 199.231, 1
165372
 
#61

eMolecules: 722680
AK Scientific: Y9158
Alfa-Aesar: H26750
Alinda Building Blocks: ALBB-014819
Cayman Chemical: 10551...43 total

ref: mol2, SDF, SMILES, flexibase
0.27,0.15,-10.74,2,3,0, 139.183, 1
106648
 
#62

ChemMol: 97800873
eMolecules: 722606
Acros Organics: SEW00990
AK Scientific: V3556
Aldrich CPR: CDS014206|ALDRICH...48 total

ref: mol2, SDF, SMILES, flexibase
1.20,0.78,-7.07,2,3,0, 160.176, 1

Similar to: 37779464, 37779469, 37779470, 37779471, 37779486, ... 19 in total.
128598
 
#63

ChemMol: 1035958
eMolecules: 46468844, 723139
AK Scientific: 8409AD
Apollo Scientific: PC6715
Capot Chemical: 6492...32 total

ref: mol2, SDF, SMILES, flexibase
1.06,4.88,-5.38,2,3,0, 177.182, 1

Similar to: 38281429,
3864425
 
#64

eMolecules: 1156927
Molport: MolPort-016-637-172
Scientific Exchange (make on demand): POD_88/0560
AKOS: AKOS000125794
Alinda Building Blocks: ALBB-023658...45 total

ref: mol2, SDF, SMILES, flexibase
2.98,-1.35,-1.97,1,1,0, 180.291, 1

Similar to: 4076195, 32201747, 32203489, 32218896, 32218897, ... 20 in total.
3864426
 
#65

eMolecules: 1156927
Molport: MolPort-016-637-171
Scientific Exchange (make on demand): POD_88/0560
AKOS: AKOS000125794
Alinda Building Blocks: ALBB-023658...46 total

ref: mol2, SDF, SMILES, flexibase
2.98,-1.32,-1.55,1,1,0, 180.291, 1

Similar to: 4076195, 32201747, 32203489, 32218896, 32218897, ... 19 in total.
6527395
 
#66

eMolecules: 3970763
Molport: MolPort-001-582-306
AKOS: AKOS003329234
Alinda: IVK/4022737
Mcule: MCULE-2927736808...13 total

ref: mol2, SDF, SMILES, flexibase
0.26,-3.53,-13.29,1,6,0, 255.299, 4

Similar to: 12000476,
88245
 
#67

ChemMol: 44006614, 44017965, 96707523, 83601475
eMolecules: 539116
Scientific Exchange (make on demand): POD_75/0321
AK Scientific: U474
AKOS: AKOS002247553...77 total

ref: mol2, SDF, SMILES, flexibase
2.20,0.73,-8.38,1,2,0, 150.177, 1

Similar to: 5167537, 34518954,
2768063
 
#68

eMolecules: 3925723
Molport: MolPort-001-555-626
AKOS: AKOS003305530
Alinda: IVK/9310594
Mcule: MCULE-8945087004...15 total

ref: mol2, SDF, SMILES, flexibase
0.29,3.45,-9.99,1,4,0, 193.25, 3
158635
 
#69

ChemMol: 1030876
eMolecules: 723405
Acros Organics: CC07109
AK Scientific: Y8694
Ark Pharm Building Blocks: AK-76149...27 total

ref: mol2, SDF, SMILES, flexibase
1.58,2.15,-7.4,1,2,0, 148.161, 1

Similar to: 36456171,
4271710
 
#70

eMolecules: 45492847
Acros Organics: CC26809
AK Scientific: Y4729
Aldrich CPR: CDS017789|ALDRICH
Ark Pharm Building Blocks: AK-68775...27 total

ref: mol2, SDF, SMILES, flexibase
0.25,-2.04,-9.16,1,3,0, 127.143, 1
5785477
 
#71

ChemMol: 44023715
eMolecules: 719114
Scientific Exchange (make on demand): M-953966
Acros Organics: SPB03349
AK Scientific: HTS001879...70 total

ref: mol2, SDF, SMILES, flexibase
1.65,3.84,-16.71,3,2,0, 186.667, 2

Similar to: 39252265,
4277371
 
#72

eMolecules: 727014
Acros Organics: CC39322
AK Scientific: Y7192
Aldrich CPR: T310360|ALDRICH
Ark Pharm Building Blocks: AK-41150...28 total

ref: mol2, SDF, SMILES, flexibase
1.99,4.16,-6.29,1,3,0, 181.216, 2

Similar to: 23345523, 23345525, 23345531, 23345533, 23345535, ... 42 in total.
153492
 
#73

eMolecules: 741041
AKOS: AKOS002376795
ChemBridge: 9005671
Labotest: LT02087936
Life Chemicals: F3181-0246...16 total

ref: mol2, SDF, SMILES, flexibase
2.41,-0.49,-12.59,2,4,0, 245.257, 2
lo: mol2, SDF, SMILES, flexibase
2.41,-0.84,-27.86,3,4,1, 246.265, 2

Similar to: 5898329,
96276
 
#74

eMolecules: 727460
Aldrich CPR: CDS014889|ALDRICH
BOC Sciences BB: 116526-64-8
Chembo Pharma: KB-66983
Maybridge: KM02063...11 total

ref: mol2, SDF, SMILES, flexibase
2.60,-1.62,-15.36,0,3,0, 263.343, 2

Similar to: 32270323,
984394
 
#75

ChemMol: 83601145, 30107204, 44005767
eMolecules: 488308
Molport: MolPort-000-003-670
Scientific Exchange: L34/TU-001
A&J Pharmtech: AJ-00865...86 total

ref: mol2, SDF, SMILES, flexibase
1.76,4.98,-4.57,0,1,0, 132.162, 1

Similar to: 8473833, 39020011, 39049827,
161258
 
#76

ChemMol: 96700644, 44027544
eMolecules: 513394
AKOS: AKOS000281022
Anward: ANW-57763
Ark Pharm Building Blocks: AK-45489...29 total

ref: mol2, SDF, SMILES, flexibase
2.90,2.83,-5.64,0,2,0, 185.226, 0

Similar to: 34350706, 34354864, 34354868, 34354870, 34448891, ... 13 in total.
125227
 
#77

eMolecules: 721241
Acros Organics: KM03009
AK Scientific: Y7940
Aldrich CPR: CDS014305|ALDRICH
BioSynth: W-206168...20 total

ref: mol2, SDF, SMILES, flexibase
0.11,0.45,-20.91,2,3,0, 221.328, 3
9320145
 
#78

eMolecules: 12048952
Molport: MolPort-007-823-135
AKOS: AKOS001983697
Enamine: Z223855194
Mcule: MCULE-2610288684...10 total

ref: mol2, SDF, SMILES, flexibase
0.70,-5.88,-18.78,1,6,0, 298.364, 5

Similar to: 31483181,
164535
 
#79

ChemMol: 1033887, 30110261, 1201193, 1032297, 1033600, 98000251, 44003338
eMolecules: 490440
Acros Organics: 27720
AK Scientific: I279
AKOS: AKOS000119338...58 total

ref: mol2, SDF, SMILES, flexibase
2.23,2.2,-4.41,1,1,0, 146.548, 0

Similar to: 39125765,
156419
 
#80

ChemMol: 44010241, 2000449, 96707745, 1030629, 97602690, 30102694
eMolecules: 481066
Acros Organics: 40216
AK Scientific: K818, I071
AKOS: AKOS015839020...99 total

ref: mol2, SDF, SMILES, flexibase
1.60,3.07,-10.46,1,3,0, 177.203, 2

Similar to: 4284392, 34381637, 34381638, 34546345, 34583475, ... 5 in total.
2169317
 
#81

eMolecules: 722847
Ark Pharm Building Blocks: AK-63618
Chembo Pharma: KB-67950
FineTech: FT-0610870
KeyOrganics: PS-4651...19 total

ref: mol2, SDF, SMILES, flexibase
2.06,-0.99,-10.84,0,3,0, 218.281, 3

Similar to: 33994535, 39646218, 44249158,
113846
 
#82

eMolecules: 727204
AK Scientific: 5340AA
Aldrich CPR: BOG00025|ALDRICH
Alfa-Aesar: H54478
Ark Pharm Building Blocks: AK112463...32 total

ref: mol2, SDF, SMILES, flexibase
2.01,6.39,-7.99,0,2,0, 200.266, 1
188955
 
#83

eMolecules: 206845740
Molport: MolPort-002-132-907
AK Scientific: 2503AC
AKOS: AKOS001592549
Aldrich CPR: S139114|ALDRICH...25 total

ref: mol2, SDF, SMILES, flexibase
2.04,-3.97,-4.29,2,2,0, 224.344, 4

Similar to: 1271108, 4321841, 34539286, 39643786, ... 4 in total.
157896
 
#84

ChemMol: 97801145
eMolecules: 723888
AK Scientific: W5255
Aldrich CPR: MNO000014|ALDRICH
Alfa-Aesar: H33317...48 total

ref: mol2, SDF, SMILES, flexibase
1.91,2.56,-4.58,1,1,0, 168.158, 1

Similar to: 34351519, 34351521, 34351523, 34351524, 34355375, ... 10 in total.
2540082
 
#85

eMolecules: 719894
Molport: MolPort-003-698-595
AK Scientific: 4315AE
Chembo Pharma: KB-28278
Molport BB: MolPort-003-698-595...18 total

ref: mol2, SDF, SMILES, flexibase
1.23,1.97,-6.78,1,3,0, 180.203, 1

Similar to: 34535770, 36668872, 36672519, 36672524, 36672570, ... 16 in total.
7424978
 
#86

eMolecules: 5660491
Molport: MolPort-003-757-531
Enamine: Z55431145
Life Chemicals: F3225-8524
Mcule: MCULE-8508641900...10 total

ref: mol2, SDF, SMILES, flexibase
-0.33,5.99,-12.33,3,5,0, 254.293, 2
122773
 
#87

eMolecules: 666728
Molport: MolPort-003-356-632
AKOS: AKOS001050015
Aldrich CPR: R703427|ALDRICH
Innovapharm: STT-00258006...15 total

ref: mol2, SDF, SMILES, flexibase
1.57,2.38,-18.18,4,5,0, 225.273, 4

Similar to: 7059845,
4200679
 
#88

eMolecules: 725190
Acros Organics: CC35509
AK Scientific: Y4067
Ark Pharm Building Blocks: AK143098
Chembo Pharma: KB-01362...23 total

ref: mol2, SDF, SMILES, flexibase
2.81,-1.4,-4.93,1,1,0, 190.267, 2
6606343
 
#89

eMolecules: 3516341
AKOS: AKOS001156644
Innovapharm: STT-00190936
Life Chemicals: F3184-0166
Mcule: MCULE-7456573115...13 total

ref: mol2, SDF, SMILES, flexibase
0.71,1.07,-6,1,3,0, 157.194, 0
4271734
 
#90

ChemMol: 44033258
eMolecules: 724777
Acros Organics: CC28409
AK Scientific: Y6992
Aldrich CPR: CDS015783|ALDRICH...35 total

ref: mol2, SDF, SMILES, flexibase
1.31,2.79,-8.7,1,2,0, 173.215, 1
lo: mol2, SDF, SMILES, flexibase
1.31,3.06,-28.74,2,2,1, 174.223, 1
80476
 
#91

ChemMol: 44010463, 96700548
eMolecules: 508603
A&J Pharmtech: AJ-00183
Acros Organics: GK00309
AK Scientific: R191...69 total

ref: mol2, SDF, SMILES, flexibase
2.07,0.63,-11.43,0,2,0, 174.228, 1

Similar to: 26516706, 26516707,
159318
 
#92

eMolecules: 720784
Scientific Exchange (make on demand): F-442180
Acros Organics: CD05201
BOC Sciences BB: 16423-54-4
Chembo Pharma: KB-197287...26 total

ref: mol2, SDF, SMILES, flexibase
2.46,-1.12,-3.04,2,1,0, 173.668, 1
132916
 
#93

eMolecules: 723840
Molport: MolPort-001-761-976
AK Scientific: 3774AF
AKOS: AKOS009158146
Aldrich CPR: CDS000663|ALDRICH...27 total

ref: mol2, SDF, SMILES, flexibase
1.73,1.81,-6.35,1,3,0, 202.637, 3

Similar to: 44198598,
346020
 
#94

ChemMol: 30108315
eMolecules: 2740386
Acros Organics: CC53709
AK Scientific: 7586AD
Aldrich CPR: JRD0675|ALDRICH...30 total

ref: mol2, SDF, SMILES, flexibase
3.03,-0.72,-6.55,1,2,0, 200.237, 3

Similar to: 410069, 8513716,
4271723
 
#95

eMolecules: 726743
Acros Organics: CC05609
AK Scientific: Y7395
Aldrich CPR: CDS016455|ALDRICH
BioSynth: W-205341...20 total

ref: mol2, SDF, SMILES, flexibase
1.58,1.45,-9.83,1,2,0, 165.217, 1
lo: mol2, SDF, SMILES, flexibase
1.58,1.75,-32.13,2,2,1, 166.225, 1
4692796
 
#96

eMolecules: 523480, 5810739
ACB Blocks: APY-0219
AKOS: AKOS001476782
Alfa-Aesar: L06752
Amadis Chemical: A845639...54 total

ref: mol2, SDF, SMILES, flexibase
1.38,2.49,-7.4,3,3,0, 165.221, 1
ref: mol2, SDF, SMILES, flexibase
1.18,3.01,-31.84,3,3,1, 166.229, 1
mid: mol2, SDF, SMILES, flexibase
1.38,2.51,-5.98,3,3,0, 165.221, 1
hi: mol2, SDF, SMILES, flexibase
1.18,2.89,-11.43,2,3,0, 165.221, 1
lo: mol2, SDF, SMILES, flexibase
1.38,2.58,-31.11,4,3,1, 166.229, 1

Similar to: 3704482,
18059825
 
#97

eMolecules: 2500747
AKOS: AKOS002315949
ChemBridge: 7953968
Innovapharm: STT-00256442
Mcule: MCULE-4812705882...15 total

ref: mol2, SDF, SMILES, flexibase
0.46,3.39,-9.09,0,4,0, 207.229, 1

Similar to: 34583555, 34583556, 34583557, 34583558, 36467140, ... 8 in total.
18168547
 
#98

eMolecules: 2500747
AKOS: AKOS002315949
ChemBridge: 7953968
Innovapharm: STT-00256442
Mcule: MCULE-4812705882...15 total

ref: mol2, SDF, SMILES, flexibase
0.46,3.18,-6.2,0,4,0, 207.229, 1

Similar to: 34583555, 34583556, 34583557, 34583558, 36467140, ... 8 in total.
4941978
 
#99

eMolecules: 5620616
Molport: MolPort-003-167-516
Life Chemicals: F2794-0070
Mcule: MCULE-4894548481
PubChem: 7424236...8 total

ref: mol2, SDF, SMILES, flexibase
1.87,-4.2,-21.3,1,5,0, 282.365, 3

Similar to: 4941948,
49654
 
#100

eMolecules: 482356
Scientific Exchange: T_01/0030
Scientific Exchange (make on demand): POD_95/0842
Acros Organics: 16473
AK Scientific: Q405...72 total

ref: mol2, SDF, SMILES, flexibase
1.74,3.72,-11.85,2,1,0, 137.207, 1

Similar to: 39234902,

Old detail retrieval took 2 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 574 ) limit 0,100

Smiles were