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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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17072390
 
#1

Vitas-M: STK430680
PubChem: 27518826
ref: mol2, SDF, SMILES, flexibase
2.34,6.53,-56.55,2,6,-1, 347.416, 6

Similar to: 17072391, 6757558, 6757559,
5601767
 
#2

eMolecules: 4047960
Molport: MolPort-001-624-929
AKOS: AKOS003306551
Alinda: IVK/1011002
Mcule: MCULE-7805916608...17 total

ref: mol2, SDF, SMILES, flexibase
3.80,-0.05,-61.03,1,5,-1, 369.466, 4
2521247
 
#3

eMolecules: 3784481
Molport: MolPort-001-554-243
Scientific Exchange: M-055794
AK Scientific: 3592AE
AKOS: AKOS003791092...36 total

ref: mol2, SDF, SMILES, flexibase
3.65,0.65,-51.48,0,4,-1, 286.694, 2

Similar to: 41656312, 41656318,
373299
 
#4

eMolecules: 3784267
Molport: MolPort-001-554-355
AK Scientific: 3594AE
AKOS: AKOS003307058
Alinda: IVK/1010817...31 total

ref: mol2, SDF, SMILES, flexibase
4.07,-0.16,-54.28,0,3,-1, 282.344, 2

Similar to: 6125177, 6279098, 6279109, 6279235, 21816708, ... 7 in total.
8298501
 
#5

eMolecules: 4054059
Molport: MolPort-001-554-251
AKOS: AKOS003306273
Alinda: IVK/1010569
Mcule: MCULE-8988329499...14 total

ref: mol2, SDF, SMILES, flexibase
2.71,-3.43,-56.44,2,6,-1, 375.47, 4

Similar to: 8298503, 6363902, 6363903, 6363913, 6363914, ... 8 in total.
8241275
 
#6

eMolecules: 4054059
Molport: MolPort-001-554-251
AKOS: AKOS003306273
Alinda: IVK/1010569
Mcule: MCULE-8988329499...14 total

ref: mol2, SDF, SMILES, flexibase
2.71,-3.47,-57.25,2,6,-1, 375.47, 4

Similar to: 8241280, 8298501, 8298503,
18058864
 
#7

eMolecules: 26310921, 25821901
Molport: MolPort-019-776-370, MolPort-001-977-375
Scientific Exchange (make on demand): M-067593
AKOS: AKOS005380027
American Custom Chemicals Corp.: CHM0286194...21 total

ref: mol2, SDF, SMILES, flexibase
1.94,6.66,-13.86,1,7,0, 363.439, 6
2785271
 
#8

eMolecules: 46442088
Molport: MolPort-001-554-248
AKOS: AKOS003307647
Alinda: IVK/1011147
Mcule: MCULE-8439349591...15 total

ref: mol2, SDF, SMILES, flexibase
1.22,-3.44,-48.17,2,6,-1, 307.351, 4

Similar to: 6409615, 2785269, 2114420, 2114416, ... 4 in total.
2735861
 
#9

eMolecules: 3997294
Molport: MolPort-001-554-247
AKOS: AKOS003307646
Alinda: IVK/1010313
Mcule: MCULE-2586603362...14 total

ref: mol2, SDF, SMILES, flexibase
1.24,-3.46,-48.76,2,6,-1, 309.367, 5
2735811
 
#10

eMolecules: 3784489
Molport: MolPort-001-554-244
AKOS: AKOS003307454
Alinda: IVK/1010244
Alinda Building Blocks: ALBB-000585...24 total

ref: mol2, SDF, SMILES, flexibase
4.87,-0.52,-50.1,0,3,-1, 316.789, 3

Similar to: 6125189, 6125198, 6125217, 6125224, 6279104, ... 7 in total.
2111078
 
#11

eMolecules: 3784569
Molport: MolPort-001-554-419
AKOS: AKOS003307359
Alinda: IVK/1010465
Alinda Building Blocks: ALBB-000631...24 total

ref: mol2, SDF, SMILES, flexibase
5.09,0.42,-56.31,0,3,-1, 310.76, 2
2735867
 
#12

eMolecules: 4029577
Molport: MolPort-001-554-414
AKOS: AKOS003307062
Alinda: IVK/1010326
Mcule: MCULE-9422374109...15 total

ref: mol2, SDF, SMILES, flexibase
4.85,1.23,-54.74,0,5,-1, 350.394, 6

Similar to: 4227753, 4227755, 6279227,
6796297
 
#13

eMolecules: 46442050
Molport: MolPort-001-554-398
AKOS: AKOS003307758
Alinda: IVK/1010113
Mcule: MCULE-2853592918...15 total

ref: mol2, SDF, SMILES, flexibase
2.51,-1.31,-46.47,1,5,-1, 321.765, 4

Similar to: 30883840, 36627558,
2784819
 
#14

eMolecules: 4064250
Molport: MolPort-001-554-331
AKOS: AKOS003307552
Alinda: IVK/1010779
Mcule: MCULE-2415234747...14 total

ref: mol2, SDF, SMILES, flexibase
3.14,-2.59,-59.24,2,6,-1, 385.465, 5

Similar to: 2784816, 2784817, 2784818,
2736123
 
#15

eMolecules: 4062277
Molport: MolPort-001-554-190
AKOS: AKOS003306459
Alinda: IVK/1010591
Mcule: MCULE-7888291669...15 total

ref: mol2, SDF, SMILES, flexibase
4.52,0.15,-60.82,1,5,-1, 383.493, 4
2784943
 
#16

eMolecules: 4034447
Molport: MolPort-001-554-189
Scientific Exchange: M-055733
AKOS: AKOS003306458
Alinda: IVK/1010984...17 total

ref: mol2, SDF, SMILES, flexibase
3.42,-0.35,-60.64,1,5,-1, 355.439, 4

Similar to: 2784944, 2784945, 14295079, 14295081, 14295110, ... 11 in total.
17075588
 
#17

Vitas-M: STK430398
PubChem: 27520102
ref: mol2, SDF, SMILES, flexibase
3.75,9.84,-58.23,1,5,-1, 367.45, 4

Similar to: 17075589, 5794916, 15746349, 15746351, 2736188, ... 7 in total.
2200564
 
#18

eMolecules: 4507929
AKOS: AKOS005397326
IBScreen: STOCK3S-46560
Mcule: MCULE-3455276323
Pharmeks: PHAR135031...12 total

ref: mol2, SDF, SMILES, flexibase
2.82,0.98,-18.98,1,9,0, 411.443, 7
6178741
 
#19

eMolecules: 3980541
Molport: MolPort-001-540-500
AKOS: AKOS003277871
Alinda: IVK/8185493
Mcule: MCULE-6409000672...12 total

ref: mol2, SDF, SMILES, flexibase
-0.50,-4.08,-82.46,2,7,0, 281.312, 3
5248585
 
#20

eMolecules: 4031813
Molport: MolPort-001-544-148
AKOS: AKOS003297070
Alinda: IVK/9353290
Mcule: MCULE-5145253931...15 total

ref: mol2, SDF, SMILES, flexibase
1.95,-1.84,-59.67,1,7,-1, 352.75, 5

Similar to: 2772969,
2739272
 
#21

Scientific Exchange: T-088421
Vitas-M: STK430364
PubChem: 40434431
ref: mol2, SDF, SMILES, flexibase
1.93,4.72,-50.52,1,5,-1, 292.698, 3

Similar to: 5344684, 5344687, 6266549, 6268548, 6931141, ... 7 in total.
17070965
 
#22

Vitas-M: STK430362
ref: mol2, SDF, SMILES, flexibase
2.11,5.02,-54.99,1,5,-1, 337.149, 3

Similar to: 5344683, 5344686, 6320952, 6320954, 6415623, ... 11 in total.
2737434
 
#23

eMolecules: 1432575
Molport: MolPort-001-490-393
AKOS: AKOS000661459
Alinda: IVK/8042780
Asinex: BAS03435782...20 total

ref: mol2, SDF, SMILES, flexibase
2.13,6.42,-53.93,1,5,-1, 286.307, 3

Similar to: 5042613,
5562093
 
#24

Vitas-M: STK430347
PubChem: 7310395, 1358485
ref: mol2, SDF, SMILES, flexibase
3.04,-1.41,-54.44,1,4,-1, 288.367, 5

Similar to: 34625104,
5007305
 
#25

eMolecules: 1183945
Molport: MolPort-001-019-139
Scientific Exchange: Z-024728
AKOS: AKOS000519586
Alinda: IVK/9351594...18 total

ref: mol2, SDF, SMILES, flexibase
3.54,-0.3,-45.91,1,4,-1, 306.341, 3
13464871
 
#26

Asinex: BAS04939467
Asinex Building Blocks: BAS04939467
Matrix Scientific: 012143
Princeton BioMolecular Research: OSSK_058775
Vitas-M: STK430339...8 total

ref: mol2, SDF, SMILES, flexibase
-0.30,2.74,-59.51,0,6,-1, 252.246, 2

Similar to: 4294801,
4977507
 
#27

eMolecules: 1432583
Molport: MolPort-001-543-703
AKOS: AKOS000661486
Alinda: IVK/9109173
Asinex: BAS03435787...25 total

ref: mol2, SDF, SMILES, flexibase
1.85,6.5,-54.62,1,7,-1, 330.316, 6

Similar to: 8572763,
4892452
 
#28

eMolecules: 2195552
Molport: MolPort-001-501-313
AKOS: AKOS003266758
Alinda: IVK/8065337
ChemBridge: 7225896...17 total

ref: mol2, SDF, SMILES, flexibase
2.10,-0.27,-56.67,1,5,-1, 314.361, 5

Similar to: 4892453, 5909013, 4162866, 4162868, ... 4 in total.
5231148
 
#29

eMolecules: 3991413
Molport: MolPort-001-539-779
AKOS: AKOS003275317
Alinda: IVK/8161744
Mcule: MCULE-9805302228...15 total

ref: mol2, SDF, SMILES, flexibase
2.81,-0.7,-61.42,1,5,-1, 300.334, 4

Similar to: 6124108, 6124111,
5649808
 
#30

ChemBridge: 7248738
Vitas-M: STK430270
PubChem: 1290950
ref: mol2, SDF, SMILES, flexibase
1.42,-1.13,-51.18,1,5,-1, 276.243, 3

Similar to: 6320952, 6320954, 6329811, 6329822, 16226087, ... 7 in total.
5021075
 
#31

eMolecules: 2369042
Molport: MolPort-001-489-876
AKOS: AKOS003251491
Alinda: IVK/8029876
ChemBridge: 5701099...18 total

ref: mol2, SDF, SMILES, flexibase
3.23,0.08,-59.8,1,6,-1, 364.443, 5

Similar to: 17079936, 17079937, 17079938, 17079939, ... 4 in total.
2503181
 
#32

eMolecules: 2200662
Molport: MolPort-001-539-970
AKOS: AKOS001698481
Alinda: IVK/8156909
Mcule: MCULE-3242995636...18 total

ref: mol2, SDF, SMILES, flexibase
1.92,-5.19,-72.67,1,7,-1, 381.455, 4

Similar to: 10169586,
2764764
 
#33

eMolecules: 4058015
AKOS: AKOS002918477
Alinda: IVK/9170940
Mcule: MCULE-6843881885
TimTec: ST50934451...15 total

ref: mol2, SDF, SMILES, flexibase
4.43,-0.76,-60.31,1,5,-1, 379.461, 4
4612055
 
#34

eMolecules: 2199103
AKOS: AKOS002279307
Alinda: IVK/8075044
ChemBridge: 7258624
Innovapharm: STT-00303462...21 total

ref: mol2, SDF, SMILES, flexibase
3.41,0.04,-58.29,1,5,-1, 347.391, 4

Similar to: 14376907,
4612057
 
#35

eMolecules: 2199103
AKOS: AKOS002279307
Alinda: IVK/8075044
ChemBridge: 7258624
Innovapharm: STT-00303462...21 total

ref: mol2, SDF, SMILES, flexibase
3.41,-0.14,-57.62,1,5,-1, 347.391, 4

Similar to: 14376907,
5094683
 
#36

eMolecules: 2128437
AKOS: AKOS002918649
Alinda: IVK/8081092
Mcule: MCULE-9035983437
TimTec: ST50919232...16 total

ref: mol2, SDF, SMILES, flexibase
4.40,-0.58,-60.6,1,5,-1, 379.461, 4

Similar to: 5094685, 5094687, 1218618,
214288
 
#37

eMolecules: 2017713
Molport: MolPort-001-487-918
AKOS: AKOS001691029
Alinda: IVK/8020367
ChemBridge: 5684796...20 total

ref: mol2, SDF, SMILES, flexibase
2.02,0.07,-68.57,1,5,-1, 261.301, 3
4174376
 
#38

eMolecules: 4070744
Molport: MolPort-001-501-283
AKOS: AKOS003266756
Alinda: IVK/8066179
Mcule: MCULE-4049768135...17 total

ref: mol2, SDF, SMILES, flexibase
3.76,-3.47,-62.79,3,6,-1, 391.513, 6

Similar to: 4174377, 4174380, 4174381, 4614256, 4614257, ... 9 in total.
6253687
 
#39

eMolecules: 4057071
Molport: MolPort-001-539-704
AKOS: AKOS003275463
Alinda: IVK/8160910
Mcule: MCULE-1412444775...15 total

ref: mol2, SDF, SMILES, flexibase
3.71,0.27,-58.41,1,6,-1, 378.47, 5

Similar to: 17092778, 17092779, 17099679, 17099680, ... 9 in total.
460543
 
#40

eMolecules: 2203168
Molport: MolPort-001-540-327
AKOS: AKOS003277763
Alinda: IVK/8175875
Mcule: MCULE-2769174431...23 total

ref: mol2, SDF, SMILES, flexibase
2.17,6.99,-59.8,1,6,-1, 310.351, 5
lo: mol2, SDF, SMILES, flexibase
2.17,5.58,-11.69,2,6,0, 311.359, 5

Similar to: 8919969, 34958613, 34958614,
483890
 
#41

eMolecules: 4023376
Molport: MolPort-001-539-245
AKOS: AKOS003274190
Alinda: IVK/8150355
Mcule: MCULE-7297267994...20 total

ref: mol2, SDF, SMILES, flexibase
3.69,-0.38,-59.77,1,5,-1, 343.428, 4
483891
 
#42

eMolecules: 4023376
Molport: MolPort-001-539-245
AKOS: AKOS003274190
Alinda: IVK/8150355
Mcule: MCULE-7297267994...20 total

ref: mol2, SDF, SMILES, flexibase
3.69,-0.38,-59.73,1,5,-1, 343.428, 4
483892
 
#43

eMolecules: 4023376
Molport: MolPort-001-539-245
AKOS: AKOS003274190
Alinda: IVK/8150355
Mcule: MCULE-7297267994...20 total

ref: mol2, SDF, SMILES, flexibase
3.69,-0.56,-59.08,1,5,-1, 343.428, 4
2736971
 
#44

eMolecules: 4003346
Molport: MolPort-001-491-659
AKOS: AKOS002947474
Alinda: IVK/8037210
Mcule: MCULE-7432493872...16 total

ref: mol2, SDF, SMILES, flexibase
3.19,1.43,-61.36,1,6,-1, 318.349, 6
5476641
 
#45

eMolecules: 4071750
Molport: MolPort-001-491-088
AKOS: AKOS003253711
Alinda: IVK/8047763
ChemBridge: 5696373...16 total

ref: mol2, SDF, SMILES, flexibase
4.21,0.42,-60.09,1,6,-1, 392.497, 6

Similar to: 6250490, 6250496, 6253687, 17077606, 17077607, ... 10 in total.
4778680
 
#46

eMolecules: 7658662
Molport: MolPort-002-975-388
Scientific Exchange: M-257799
AKOS: AKOS003326438
Mcule: MCULE-2993748513...12 total

ref: mol2, SDF, SMILES, flexibase
2.47,-3.97,-14.39,0,5,0, 344.436, 3
2744973
 
#47

eMolecules: 4025173
Molport: MolPort-001-538-939
AKOS: AKOS003298166
Alinda: IVK/8124464
Mcule: MCULE-2653605410...15 total

ref: mol2, SDF, SMILES, flexibase
3.66,0.26,-54.43,1,5,-1, 345.444, 3

Similar to: 5725619, 5725620, 16482424, 17073999, 17074000, ... 5 in total.
17080415
 
#48

Specs: AK-968/12713045
Vitas-M: STK430205
PubChem: 27521775
ref: mol2, SDF, SMILES, flexibase
4.09,10.72,-58.34,1,6,-1, 392.497, 6

Similar to: 17099677, 17099678, 17136235,
19832079
 
#49

eMolecules: 1994135
Molport: MolPort-001-541-244, MolPort-019-750-605
AKOS: AKOS001698007
Alinda: IVK/8199175
American Custom Chemicals Corp.: CHM0273199...24 total

ref: mol2, SDF, SMILES, flexibase
2.82,8.82,-52.22,0,5,-1, 353.442, 5
lo: mol2, SDF, SMILES, flexibase
2.82,9.98,-47.82,2,5,1, 355.458, 5

Similar to: 4179530, 4179532, 4179535,
19832076
 
#50

eMolecules: 1994135
Molport: MolPort-001-541-244, MolPort-019-750-605
AKOS: AKOS001698007
Alinda: IVK/8199175
American Custom Chemicals Corp.: CHM0273199...20 total

ref: mol2, SDF, SMILES, flexibase
2.82,9.03,-58.85,0,5,-1, 353.442, 5
lo: mol2, SDF, SMILES, flexibase
2.82,10.23,-50.84,2,5,1, 355.458, 5

Similar to: 4179530, 4179532, 4179535,
475056
 
#51

eMolecules: 2198172
Molport: MolPort-001-538-725
AKOS: AKOS003297694
Alinda: IVK/8134667
Mcule: MCULE-5660954063...21 total

ref: mol2, SDF, SMILES, flexibase
1.73,5.7,-45.64,1,4,-1, 236.291, 3

Similar to: 37084016, 37084017, 37084018, 37084019, 37834043, ... 12 in total.
4611769
 
#52

eMolecules: 4036383
Molport: MolPort-001-492-228
AKOS: AKOS003255865
Alinda: IVK/8044611
Mcule: MCULE-4568182515...22 total

ref: mol2, SDF, SMILES, flexibase
3.64,10.38,-46.7,1,5,-1, 357.455, 4
lo: mol2, SDF, SMILES, flexibase
3.64,8.61,-9.18,2,5,0, 358.463, 4
214449
 
#53

eMolecules: 2198476
Molport: MolPort-001-539-091
AKOS: AKOS003274662
Alinda: IVK/8131321
Mcule: MCULE-6510132021...17 total

ref: mol2, SDF, SMILES, flexibase
3.15,0.79,-58.46,0,4,-1, 326.416, 4

Similar to: 39372662, 39372664, 39372666, 39372668, ... 4 in total.
2754036
 
#54

eMolecules: 3983700
Molport: MolPort-001-634-080
AKOS: AKOS003287266
Alinda: IVK/9072233
Mcule: MCULE-9637339971...18 total

ref: mol2, SDF, SMILES, flexibase
2.65,-0.38,-46.6,1,4,-1, 286.351, 6
442402
 
#55

eMolecules: 2255056
Molport: MolPort-001-503-577
Scientific Exchange: T-094906
AKOS: AKOS001426392
Alinda: IVK/8089726...25 total

ref: mol2, SDF, SMILES, flexibase
2.92,0.51,-47.26,1,4,-1, 272.324, 4
442405
 
#56

eMolecules: 2255056
Molport: MolPort-001-503-577
Scientific Exchange: T-094906
AKOS: AKOS001426392
Alinda: IVK/8089726...25 total

ref: mol2, SDF, SMILES, flexibase
2.92,0.54,-48,1,4,-1, 272.324, 4
4173450
 
#57

eMolecules: 2389073
Molport: MolPort-001-504-052
AKOS: AKOS003272160
Alinda: IVK/8102660
Mcule: MCULE-2709994849...17 total

ref: mol2, SDF, SMILES, flexibase
2.21,-3.43,-63.22,3,6,-1, 361.443, 4

Similar to: 4173451, 5953973, 5953974, 5954114, 5954115, ... 11 in total.
4173447
 
#58

eMolecules: 2389073
Molport: MolPort-001-504-052
AKOS: AKOS003272160
Alinda: IVK/8102660
Mcule: MCULE-2709994849...17 total

ref: mol2, SDF, SMILES, flexibase
2.21,-3.52,-56.08,3,6,-1, 361.443, 4

Similar to: 4173449, 4173450, 4173451, 5953973, 5953974, ... 11 in total.
61382
 
#59

eMolecules: 3976147
Molport: MolPort-001-490-067
AKOS: AKOS000149528
Alinda: IVK/8032727
Mcule: MCULE-6697898014...23 total

ref: mol2, SDF, SMILES, flexibase
2.26,9.19,-62.44,0,4,-1, 270.308, 2
lo: mol2, SDF, SMILES, flexibase
2.26,7.26,-13.34,1,4,0, 271.316, 2

Similar to: 31978849, 31978850,
13208414
 
#60

eMolecules: 3972271
Molport: MolPort-001-501-718
AKOS: AKOS003267622
Alinda: IVK/8064611
Mcule: MCULE-2547265771...15 total

ref: mol2, SDF, SMILES, flexibase
1.18,6.59,-50.88,1,5,-1, 259.285, 3
lo: mol2, SDF, SMILES, flexibase
1.18,6.39,-39.17,2,5,0, 260.293, 3
5382525
 
#61

eMolecules: 3969661
Molport: MolPort-001-502-141
AKOS: AKOS000127428
Alinda: IVK/8069183
Mcule: MCULE-2079768426...16 total

ref: mol2, SDF, SMILES, flexibase
1.99,0.41,-55.3,0,4,-1, 250.318, 2

Similar to: 5382526, 1471461, 1471462,
15746349
 
#62

Specs: AK-968/12117473
Vitas-M: STK430176
PubChem: 26779257
ref: mol2, SDF, SMILES, flexibase
3.30,9.15,-58.25,1,5,-1, 353.423, 4

Similar to: 15746351, 17075588, 17075589,
13153620
 
#63

ChemBridge: 7291085
Vitas-M: STK430171
PubChem: 25728585
ref: mol2, SDF, SMILES, flexibase
2.17,6.02,-59.71,1,6,-1, 324.407, 5

Similar to: 3634358, 4124186, 4124187,
4832179
 
#64

eMolecules: 1252635
Molport: MolPort-001-019-146
AKOS: AKOS000520756
Alinda: IVK/8041011
Mcule: MCULE-9138261804...17 total

ref: mol2, SDF, SMILES, flexibase
2.91,-1.86,-48.03,1,5,-1, 313.358, 3

Similar to: 5669784, 4832178, 3150066,
3150066
 
#65

Vitas-M: STK430170
Asinex (Depleted): BAS00629359
PubChem: 7374931
ref: mol2, SDF, SMILES, flexibase
2.91,-2.02,-58.04,1,5,-1, 313.358, 3

Similar to: 4832178, 4832179, 36352378,
3634319
 
#66

eMolecules: 2575780
Molport: MolPort-001-501-167
Scientific Exchange (make on demand): T-087585
AKOS: AKOS001690581
Alinda: IVK/8065696...27 total

ref: mol2, SDF, SMILES, flexibase
2.29,-0.03,-46.52,0,4,-1, 296.346, 2

Similar to: 13400458, 31979045, 31979047,
13400458
 
#67

Princeton BioMolecular Research: OSSK_056263
Vitas-M: STK430168
PubChem: 7045414
ref: mol2, SDF, SMILES, flexibase
2.29,8.73,-54.97,0,4,-1, 296.346, 2

Similar to: 31979045, 31979047, 2379753, 3634319, ... 4 in total.
17007060
 
#68

Vitas-M: STK430167
PubChem: 27473421
ref: mol2, SDF, SMILES, flexibase
1.91,6.82,-47.51,1,5,-1, 271.296, 3
lo: mol2, SDF, SMILES, flexibase
1.91,6.59,-45.45,2,5,0, 272.304, 3

Similar to: 17007057, 3893944, 3893945,
5555547
 
#69

Asinex Building Blocks: BAS01939494
ChemBridge: 5580830
Matrix Scientific: 011778
Vitas-M: STK430160
Asinex (Depleted): BAS01939494...8 total

ref: mol2, SDF, SMILES, flexibase
0.82,4.84,-56.16,1,5,-1, 271.296, 4
lo: mol2, SDF, SMILES, flexibase
0.82,5.12,-57.59,2,5,0, 272.304, 4

Similar to: 36771291, 36771292,
17007801
 
#70

Specs: AK-968/12686141
Vitas-M: STK430150
ref: mol2, SDF, SMILES, flexibase
2.53,7.76,-56.51,0,4,-1, 276.356, 2
lo: mol2, SDF, SMILES, flexibase
2.53,6.64,-12.59,1,4,0, 277.364, 2

Similar to: 17007804, 31978845, 31978846, 31978848, 31979101, ... 15 in total.
68209
 
#71

eMolecules: 26497061
Molport: MolPort-001-500-409
Scientific Exchange: T-085129
AKOS: AKOS001614220
Alinda: IVK/8058393...23 total

ref: mol2, SDF, SMILES, flexibase
0.54,4.45,-47.4,1,6,-1, 254.243, 5
16225909
 
#72

ChemBridge: 7230931
Specs: AK-968/12864938
Vitas-M: STK430142
PubChem: 6938088
ref: mol2, SDF, SMILES, flexibase
0.77,4.79,-53.09,1,5,-1, 271.296, 4
lo: mol2, SDF, SMILES, flexibase
0.77,5.07,-63.78,2,5,0, 272.304, 4

Similar to: 36776278, 36776280, 4004062,
204923
 
#73

eMolecules: 2258795
Molport: MolPort-001-539-716
AKOS: AKOS001698163
Alinda: IVK/8170581
ChemBridge: 7290038...20 total

ref: mol2, SDF, SMILES, flexibase
2.97,-0.66,-60.59,1,5,-1, 341.412, 4

Similar to: 2784942, 2784943, 2784944, 2784945, 14295110, ... 6 in total.
1199855
 
#74

ChemBridge: 5692327
Vitas-M: STK430136
PubChem: 11861502, 1358300
ref: mol2, SDF, SMILES, flexibase
3.60,0.58,-60.27,1,6,-1, 390.481, 6

Similar to: 3864256, 3983176, 5020616, 5020619, 5020621, ... 26 in total.
483755
 
#75

eMolecules: 2258746
Molport: MolPort-001-538-835
AKOS: AKOS003297260
Alinda: IVK/8123696
ChemBridge: 7284205...19 total

ref: mol2, SDF, SMILES, flexibase
0.74,-0.32,-70.59,1,6,-1, 252.275, 3
483756
 
#76

eMolecules: 2258746
Molport: MolPort-001-538-835
AKOS: AKOS003297260
Alinda: IVK/8123696
ChemBridge: 7284205...19 total

ref: mol2, SDF, SMILES, flexibase
0.74,-0.33,-70.56,1,6,-1, 252.275, 3
16676442
 
#77

ChemBridge: 5702324
Vitas-M: STK430134
PubChem: 7459284
ref: mol2, SDF, SMILES, flexibase
3.22,9.38,-53.81,1,6,-1, 376.454, 5

Similar to: 2739067, 4612024, 4612025, 4612026, 4612027, ... 9 in total.
5021138
 
#78

eMolecules: 2096519
Molport: MolPort-001-492-019
AKOS: AKOS003254812
Alinda: IVK/8034171
ChemBridge: 5702324...17 total

ref: mol2, SDF, SMILES, flexibase
3.22,0.61,-60.44,1,6,-1, 376.454, 5

Similar to: 16676441, 16676442,
4904913
 
#79

eMolecules: 2203006
Molport: MolPort-001-539-058
AKOS: AKOS001425765
Alinda: IVK/8125486
ChemBridge: 7309566...19 total

ref: mol2, SDF, SMILES, flexibase
2.47,2.83,-69.48,1,8,-1, 360.342, 7

Similar to: 4904918, 4904919, 4904910,
2750215
 
#80

eMolecules: 3802661
Molport: MolPort-001-542-548
AKOS: AKOS001425184
Aldrich CPR: S931101|ALDRICH
Alinda: IVK/9034349...29 total

ref: mol2, SDF, SMILES, flexibase
1.90,0.55,-73.6,1,5,-1, 286.307, 4

Similar to: 39899477, 39899478, 39899479, 39899480, ... 4 in total.
2747132
 
#81

eMolecules: 4024828
Molport: MolPort-001-540-074
Scientific Exchange: Q-049196
AKOS: AKOS003276594
Alinda: IVK/8171378...16 total

ref: mol2, SDF, SMILES, flexibase
2.92,0.09,-48.13,1,5,-1, 345.375, 4

Similar to: 6333591, 6333598,
2747131
 
#82

eMolecules: 4024828
Molport: MolPort-001-540-074
Scientific Exchange: Q-049196
AKOS: AKOS003276594
Alinda: IVK/8171378...16 total

ref: mol2, SDF, SMILES, flexibase
2.92,0.2,-57.84,1,5,-1, 345.375, 4

Similar to: 6333591, 6333598,
2879318
 
#83

eMolecules: 1565356
Molport: MolPort-001-006-846
Scientific Exchange (make on demand): M-918233
AKOS: AKOS000380248
ChemBridge: 7965367...15 total

ref: mol2, SDF, SMILES, flexibase
2.10,-3.46,-19.81,2,4,0, 371.3, 5

Similar to: 10445914, 10445917, 25911767, 25911774, 26535661, ... 7 in total.
433149
 
#84

eMolecules: 2253134
Molport: MolPort-001-491-409
Scientific Exchange: R-004656
AKOS: AKOS003254180
Alinda: IVK/8041723...21 total

ref: mol2, SDF, SMILES, flexibase
2.16,-1.68,-49.71,0,5,-1, 313.377, 3
433148
 
#85

eMolecules: 2253134
Molport: MolPort-001-491-409
Scientific Exchange: R-004656
AKOS: AKOS003254180
Alinda: IVK/8041723...21 total

ref: mol2, SDF, SMILES, flexibase
2.16,-1.44,-60.83,0,5,-1, 313.377, 3
473743
 
#86

eMolecules: 2195738
Scientific Exchange: Q-048031
AKOS: AKOS002767726
Alinda: IVK/8160707
ChemBridge: 7227373...22 total

ref: mol2, SDF, SMILES, flexibase
2.33,8.2,-61.75,1,6,-1, 302.306, 5
lo: mol2, SDF, SMILES, flexibase
2.33,6.88,-11.16,2,6,0, 303.314, 5

Similar to: 5919732, 5919749, 5920677, 14295821, 37793325, ... 8 in total.
5528213
 
#87

eMolecules: 3974004
Molport: MolPort-001-488-503
AKOS: AKOS000143392
Alinda: IVK/8029138
Mcule: MCULE-8875954296...17 total

ref: mol2, SDF, SMILES, flexibase
2.20,0.5,-51.97,0,4,-1, 264.345, 2

Similar to: 16990940, 36169068, 36169069, 36169070, 36169071, ... 5 in total.
1469225
 
#88

eMolecules: 2575768
Molport: MolPort-001-500-519
AKOS: AKOS000130439
Alinda: IVK/8053994
Mcule: MCULE-5233752898...20 total

ref: mol2, SDF, SMILES, flexibase
1.81,0.33,-58.57,0,4,-1, 250.318, 2

Similar to: 4179196, 4179198, 4179200, 4892013, 4892017, ... 36 in total.
4052486
 
#89

eMolecules: 2368802
Molport: MolPort-001-491-517
AKOS: AKOS003254125
Alinda: IVK/8048664
ChemBridge: 5698083...18 total

ref: mol2, SDF, SMILES, flexibase
2.12,-0.92,-61.48,0,8,-1, 358.374, 4

Similar to: 4052487, 4052488, 4052484,
20478325
 
#90

eMolecules: 4086634
Molport: MolPort-001-623-905
AKOS: AKOS001698982
Alinda: IVK/8109459
Enamine: Z169880212...16 total

ref: mol2, SDF, SMILES, flexibase
1.84,5.37,-116.27,1,8,-2, 405.457, 6
lo: mol2, SDF, SMILES, flexibase
2.77,4.2,-32.81,3,8,0, 407.473, 5
5198029
 
#91

eMolecules: 3579869
Molport: MolPort-001-489-599
AKOS: AKOS001173852
Alinda: IVK/8025847
Mcule: MCULE-9574498765...18 total

ref: mol2, SDF, SMILES, flexibase
1.89,0.14,-59.07,1,4,-1, 276.287, 4

Similar to: 5198030, 31978865, 31978866, 31978867, ... 6 in total.
5198030
 
#92

eMolecules: 3579869
Molport: MolPort-001-489-599
AKOS: AKOS001173852
Alinda: IVK/8025847
Mcule: MCULE-9574498765...18 total

ref: mol2, SDF, SMILES, flexibase
1.89,0.12,-45.04,1,4,-1, 276.287, 4

Similar to: 31978865, 31978866, 31978867,
2736396
 
#93

eMolecules: 3995714
Molport: MolPort-001-489-354
Scientific Exchange: X-098535
AKOS: AKOS003250944
Alinda: IVK/8029899...16 total

ref: mol2, SDF, SMILES, flexibase
2.08,1.28,-56.48,1,7,-1, 307.257, 4
5540441
 
#94

eMolecules: 46442512
Molport: MolPort-001-620-741
AKOS: AKOS003751570
Alinda: IVK/7105737
Mcule: MCULE-1793311563...14 total

ref: mol2, SDF, SMILES, flexibase
2.87,0.74,-49.59,1,5,-1, 309.345, 6

Similar to: 5698594, 5831135, 6302269, 34863014, ... 5 in total.
2085921
 
#95

eMolecules: 4057959
Molport: MolPort-001-624-106
AKOS: AKOS003281923
Alinda: IVK/8177960
Mcule: MCULE-6382019155...16 total

ref: mol2, SDF, SMILES, flexibase
1.43,-4.84,-73.66,1,7,-1, 379.439, 4

Similar to: 14298151,
2558503
 
#96

eMolecules: 29552756
Molport: MolPort-001-596-373
AKOS: AKOS003315158
Alinda: IVK/4028425
Alinda Building Blocks: ALBB-001926...21 total

ref: mol2, SDF, SMILES, flexibase
4.33,-2.95,-7.82,3,3,0, 328.481, 4

Similar to: 5916761, 6119470, 6274980, 6274983, ... 4 in total.
6119470
 
#97

eMolecules: 29552756
Molport: MolPort-001-596-373
AKOS: AKOS003315158
Alinda: IVK/4028425
Alinda Building Blocks: ALBB-001926...21 total

ref: mol2, SDF, SMILES, flexibase
4.33,-2.95,-7.89,3,3,0, 328.481, 4

Similar to: 6119472, 6250393, 6274980, 6274983, ... 9 in total.
2739976
 
#98

eMolecules: 4007521
Molport: MolPort-001-502-206
Scientific Exchange: T-090835
AKOS: AKOS003268584
Alinda: IVK/8066764...16 total

ref: mol2, SDF, SMILES, flexibase
2.59,0.47,-55.87,1,7,-1, 323.712, 4
2558502
 
#99

eMolecules: 29552754
Molport: MolPort-001-596-371
AKOS: AKOS000349693
Alinda: IVK/4028423
Alinda Building Blocks: ALBB-001925...22 total

ref: mol2, SDF, SMILES, flexibase
3.82,-3.11,-8,3,3,0, 314.454, 3

Similar to: 5916761, 6119470, 6274980, 6274983, ... 4 in total.
6274980
 
#100

eMolecules: 29552754
Molport: MolPort-001-596-371
AKOS: AKOS000349693
Alinda: IVK/4028423
Alinda Building Blocks: ALBB-001925...22 total

ref: mol2, SDF, SMILES, flexibase
3.82,-3.11,-8,3,3,0, 314.454, 3

Similar to: 6274983, 5916761, 6119470, 2558502, 2558503, ... 8 in total.

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 = 168 ) limit 0,100

Smiles were